name chain pos wild-type A C E D G F I H K M L N Q P S R T W V Y SM100016 A 10 I -1.76 -1.03 -1.92 -2.24 -2.52 -1.09 0 -1.46 -2.18 -0.49 -0.51 -1.65 -1.29 -1.98 -1.6 -1.47 -1.55 -1.27 -0.53 -1.27 SM100016 A 11 K 0.15 0.33 -0.48 -1.84 -0.33 0.17 0.27 -0.09 0 0.51 0.32 -0.12 0.42 -0.7 0.08 0.19 0.18 -0.44 0.18 0.24 SM100016 A 12 A 0 -0.33 -3.01 -3.33 -1.09 -0.82 -0.45 -2.69 -3.59 -0.31 -0.34 -2.36 -2.48 -1.99 -1.35 -2.03 -1.35 -1.38 -0.49 -1.52 SM100016 A 13 I -1.65 -0.72 -1.48 -1.79 -1.79 -0.8 0 -1.26 -1.18 -0.37 -0.4 -1.32 -1.12 -1.46 -1.38 -0.7 -1.27 -1.21 -0.64 -1.16 SM100016 A 14 D -0.2 -0.41 -0.77 0 -0.41 -1.1 -0.62 -0.66 -0.18 -0.39 -0.47 -0.26 -0.36 -0.58 -0.37 -0.6 -0.03 -1.28 -0.37 -1.12 SM100016 A 15 G -0.34 -0.92 -2.17 -2.61 0 -2.04 -1.19 -2.07 -3.24 -1.45 -1.02 -1.84 -1.7 -1.26 -0.7 -2.26 -1.33 -2.11 -1.21 -3.11 SM100016 A 16 D 0.2 -0.22 -0.0 0 0.26 -0.81 -0.39 -0.25 -0.07 -0.27 0.02 0.37 0.21 -0.12 0.11 -0.3 0.21 -0.43 -0.11 -0.76 SM100016 A 17 T -1.02 -0.55 -1.74 -1.92 -1.38 -0.58 -0.51 -1.5 -1.23 -0.4 -0.41 -0.91 -0.89 -1.16 -0.43 -0.5 0 -1.09 -0.19 -0.81 SM100016 A 18 V -2.15 -2.19 -3.99 -4.39 -4.57 -0.48 0.13 -3.66 -4.34 -0.99 0.02 -3.76 -3.35 -3.44 -3.48 -3.11 -2.84 -2.14 0 -2.07 SM100016 A 19 K 0.1 0.37 -0.48 -1.69 -0.45 0.11 0.53 -0.1 0 0.67 0.55 -0.12 0.19 -0.8 0.04 -0.18 0.13 -0.21 0.38 -0.13 SM100016 A 20 L -3.09 -2.02 -5.47 -5.76 -4.45 -1.33 -0.97 -4.34 -4.02 -1.07 0 -4.33 -4.14 -4.48 -3.75 -3.35 -3.06 -3.1 -1.63 -2.92 SM100016 A 21 M -1.08 -0.53 -0.99 -1.62 -1.99 -0.41 -0.37 -0.91 -0.95 0 -0.29 -0.99 -0.78 -1.27 -1.3 -0.54 -0.88 -0.77 -0.42 -0.53 SM100016 A 22 Y -1.62 -1.23 -3.05 -3.31 -3.12 -0.16 -0.98 -1.49 -2.62 -0.43 -0.83 -2.32 -2.04 -3.54 -1.65 -1.37 -1.82 -0.06 -1.26 0 SM100016 A 23 K -0.22 -0.05 -0.25 -0.91 -0.16 -0.13 -0.02 -0.35 0 0.05 -0.15 -0.14 -0.09 -0.81 -0.04 0.05 -0.0 -0.39 -0.11 -0.39 SM100016 A 24 G -1.05 -0.91 -1.09 -1.37 0 -1.08 -1.32 -1.13 -0.9 -1.02 -1.42 -1.21 -1.2 -1.12 -0.96 -0.88 -1.38 -1.15 -1.67 -1.15 SM100016 A 25 Q 0.12 0.42 0.03 -0.21 -0.07 -0.0 0.25 -0.19 -0.71 0.04 0.15 -0.22 0 -0.11 0.04 -0.49 0.02 -0.11 0.13 -0.04 SM100016 A 26 P -0.58 -0.57 -0.88 -0.93 -1.12 -0.44 -0.34 -1.16 -1.14 -0.38 -0.32 -1.2 -0.95 0 -0.78 -0.76 -0.67 -0.55 -0.42 -0.65 SM100016 A 27 M -1.26 -0.47 -1.07 -1.85 -1.69 -0.3 -0.06 -1.0 -1.35 0 -0.17 -1.21 -0.64 -1.36 -1.33 -0.86 -0.64 -0.59 -0.14 -0.52 SM100016 A 28 T -1.04 -0.41 -1.57 -1.92 -1.77 -0.38 0.04 -1.28 -1.1 -0.02 -0.01 -0.91 -0.85 -0.81 -0.6 -0.66 0 -0.76 -0.1 -0.81 SM100016 A 29 F -3.32 -2.12 -4.83 -5.22 -5.4 0 -1.07 -3.3 -3.67 -1.27 -0.94 -3.71 -3.26 -4.38 -4.04 -3.03 -3.52 -2.14 -1.42 -1.76 SM100016 A 30 R -1.19 -0.84 -1.82 -2.5 -1.86 -1.36 -0.82 -0.93 -1.0 -0.62 -1.02 -1.31 -0.81 -1.29 -1.37 0 -1.1 -1.93 -1.07 -1.29 SM100016 A 31 L -3.05 -2.31 -4.29 -5.02 -4.37 -1.55 -1.27 -4.31 -3.65 -1.31 0 -4.29 -3.53 -4.43 -3.78 -3.91 -3.47 -3.21 -1.98 -3.11 SM100016 A 32 L -1.53 -1.11 -2.43 -3.06 -2.64 -1.2 -0.71 -2.29 -2.3 -0.69 0 -1.99 -1.76 -2.84 -2.0 -2.09 -1.87 -1.72 -1.35 -1.68 SM100016 A 33 L -1.71 -1.37 -2.31 -2.28 -1.13 -1.12 -0.8 -2.43 -2.37 -0.54 0 -1.66 -1.52 -2.87 -1.42 -1.71 -1.27 -1.64 -0.55 -1.56 SM100016 A 34 V -2.12 -1.91 -4.24 -4.0 -3.81 -0.45 0.33 -3.49 -2.77 -1.08 -0.21 -2.88 -3.13 -2.45 -2.71 -2.88 -1.63 -2.38 0 -3.76 SM100016 A 35 D -0.32 -0.32 -0.61 0 -0.48 -0.68 -0.54 -0.77 -0.42 -0.29 0.01 -0.3 -0.1 -0.66 -0.29 -0.56 -0.17 -0.79 -0.13 -0.93 SM100016 A 36 T -0.23 0.68 -1.54 -1.62 -0.87 -0.33 0.7 -1.63 -1.51 -0.08 0.51 -1.15 -1.33 -0.45 -0.37 -0.98 0 -1.29 0.6 -1.13 SM100016 A 37 P -0.24 -0.03 -2.06 -2.1 -0.46 -0.56 -0.16 -2.58 -2.35 -0.51 -0.15 -1.79 -1.93 0 -0.42 -1.91 -0.35 -0.93 -0.22 -1.27 SM100016 A 38 E 0.33 0.33 0 -0.51 0.25 0.12 0.11 -0.52 -0.35 0.59 0.4 -0.1 -0.07 -0.02 0.12 0.2 0.17 -0.59 0.27 -0.56 SM100016 A 39 T -0.64 -0.09 -0.7 -0.37 -0.41 -0.42 -0.02 -0.7 -0.67 0.05 0.02 -0.11 -0.35 -0.44 -0.26 -0.2 0 -0.4 0.08 -0.48 SM100016 A 40 K 0.25 0.19 0.12 -0.54 0.06 -0.06 0.14 -0.15 0 0.11 0.13 -0.08 -0.05 0.05 0.1 -0.02 0.02 -0.4 0.11 -0.34