# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 109.23 4.93 11.00 17.43 113.60 -149.02 -90.52 134.13 99.95 0.03 0.02 99.86 0.07 0.04 0.01 0.00 0.00 0.01 0.00 1 A C C 75.26 3.81 8.65 14.13 103.76 -118.96 -76.30 13.70 77.39 0.79 21.82 64.82 1.99 12.80 6.98 12.54 0.00 0.41 0.46 2 D C C 116.71 1.71 8.22 11.29 99.91 59.10 -81.61 -7.79 72.80 1.03 26.16 35.13 14.64 23.37 6.36 19.38 0.00 0.46 0.67 3 D C C 112.11 2.06 8.65 12.15 102.88 69.42 -85.27 6.41 71.11 1.18 27.71 41.22 16.32 13.22 7.65 20.32 0.00 0.53 0.73 4 E C C 128.25 2.96 9.58 14.31 111.30 101.62 -86.94 126.29 82.64 1.32 16.04 59.56 16.81 6.55 8.32 7.32 0.00 0.56 0.87 5 V C C 96.35 5.09 9.65 16.57 112.05 -121.02 -83.22 130.01 87.81 2.20 9.99 72.50 9.51 5.74 6.57 3.28 0.00 0.99 1.41 6 V C C 82.30 6.55 10.94 19.21 115.09 -158.47 -99.60 129.84 90.85 2.07 7.08 68.47 18.21 3.64 5.82 1.49 0.00 0.67 1.69 7 D C C 68.64 5.97 13.73 21.41 107.22 -135.30 -95.37 106.84 95.73 0.32 3.95 85.59 8.54 1.15 4.09 0.33 0.00 0.10 0.20 8 P H H 52.38 10.12 13.44 25.41 93.27 -165.09 -65.27 -30.10 32.51 0.18 67.32 21.24 2.97 6.56 67.93 1.15 0.00 0.06 0.09 9 K H H 86.69 10.68 14.35 25.70 92.05 58.59 -63.95 -39.51 7.15 0.04 92.81 3.34 0.88 2.63 92.34 0.79 0.00 0.01 0.01 10 K H H 118.47 2.56 18.26 20.65 92.34 50.97 -65.08 -40.55 2.10 0.02 97.88 0.98 0.26 0.81 97.24 0.70 0.00 0.01 0.00 11 Y H H 103.65 4.66 17.28 22.83 92.24 49.40 -65.69 -41.58 0.87 0.01 99.12 0.35 0.11 0.38 98.73 0.43 0.00 0.01 0.00 12 L H H 28.69 14.85 14.24 29.92 92.10 50.21 -64.34 -42.52 0.63 0.01 99.37 0.20 0.07 0.31 99.09 0.33 0.00 0.00 0.00 13 E H H 76.27 10.61 16.27 27.54 91.89 51.05 -63.34 -41.32 0.67 0.00 99.33 0.13 0.06 0.40 98.99 0.42 0.00 0.00 0.00 14 E H H 120.05 1.85 19.97 20.61 92.48 49.86 -66.03 -39.35 1.69 0.00 98.30 0.12 0.09 1.43 97.20 1.16 0.00 0.00 0.00 15 S H H 57.53 5.52 17.93 24.15 92.82 49.16 -70.64 -31.51 8.91 0.00 91.08 0.21 0.30 8.83 89.10 1.55 0.01 0.00 0.00 16 C H H 18.51 17.42 11.81 29.52 97.04 45.54 -92.10 -11.18 41.01 0.07 58.92 2.96 2.85 34.48 55.93 3.67 0.03 0.02 0.07 17 K H G 95.32 10.94 14.31 25.94 92.63 86.83 -58.62 -42.27 31.59 0.22 68.19 13.43 4.61 13.13 25.36 43.23 0.00 0.11 0.12 18 P H G 99.21 1.74 18.32 19.19 91.82 50.64 -66.94 -28.85 19.49 0.11 80.39 4.33 2.18 11.70 21.82 59.86 0.00 0.07 0.04 19 K H G 122.32 4.59 17.40 22.74 94.46 51.93 -78.52 -19.71 18.61 0.15 81.24 3.56 2.27 11.55 24.15 58.33 0.00 0.09 0.06 20 C H G 20.52 18.53 10.60 28.58 100.06 50.89 -96.07 3.29 41.34 1.44 57.22 18.35 6.85 15.99 23.41 33.87 0.05 0.66 0.82 21 V H H 71.65 7.04 16.67 24.99 93.64 95.93 -63.24 -39.86 16.97 0.36 82.67 11.41 3.94 2.92 80.01 1.42 0.00 0.10 0.20 22 K H H 126.44 2.27 20.67 22.10 92.20 51.43 -64.76 -40.55 2.31 0.01 97.69 0.84 0.23 0.96 97.57 0.40 0.00 0.00 0.00 23 P H H 32.91 12.63 16.33 29.88 92.20 50.79 -64.89 -40.21 1.01 0.00 98.99 0.31 0.06 0.47 98.79 0.36 0.00 0.00 0.00 24 L H H 57.96 12.11 17.30 29.72 92.01 51.45 -63.96 -41.19 0.15 0.00 99.85 0.02 0.01 0.08 99.75 0.14 0.00 0.00 0.00 25 L H H 90.71 2.67 21.54 23.33 91.67 50.65 -63.99 -41.84 0.07 0.00 99.93 0.00 0.00 0.04 99.92 0.04 0.00 0.00 0.00 26 E H H 85.14 6.75 20.04 27.42 91.89 50.14 -64.57 -41.66 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 27 Y H H 39.66 16.41 16.35 33.02 92.02 50.15 -63.92 -41.98 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 28 Q H H 93.29 4.25 22.09 26.47 91.51 50.67 -63.88 -41.23 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 29 A H H 48.27 3.11 21.26 24.00 91.10 50.62 -63.77 -41.70 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 30 C H H 17.92 13.40 16.27 31.16 91.61 50.77 -63.99 -42.23 0.19 0.00 99.81 0.01 0.00 0.13 99.82 0.03 0.00 0.00 0.00 31 V H H 49.77 9.65 17.69 28.45 91.66 50.65 -63.24 -41.60 0.32 0.00 99.68 0.02 0.01 0.22 99.67 0.07 0.00 0.00 0.00 32 K H H 128.07 1.47 21.28 20.77 91.78 50.37 -64.48 -40.93 0.86 0.00 99.14 0.08 0.06 0.63 98.78 0.44 0.00 0.00 0.00 33 R H H 100.76 5.99 16.87 23.96 92.46 49.92 -66.31 -38.91 2.76 0.01 97.23 0.26 0.18 2.14 96.59 0.81 0.00 0.00 0.00 34 I H H 47.05 13.27 12.15 25.94 93.48 50.14 -70.28 -31.30 7.83 0.04 92.13 0.94 0.78 5.86 91.50 0.86 0.02 0.02 0.02 35 Q H H 121.85 2.99 14.83 18.71 96.70 59.69 -78.06 -12.61 33.20 0.32 66.48 5.33 5.03 22.37 65.91 0.99 0.05 0.10 0.22 36 G C T 52.64 2.61 12.28 15.92 104.49 26.87 -18.29 4.74 79.71 0.57 19.73 26.34 18.62 33.45 19.22 1.77 0.01 0.17 0.43 37 D C C 93.86 4.57 8.93 15.22 108.24 122.36 -85.53 99.55 92.64 0.96 6.39 64.69 15.92 11.94 3.66 2.57 0.00 0.36 0.85 38 D C C 120.79 1.51 9.98 12.59 101.73 79.72 -83.62 5.05 91.06 0.73 8.21 35.54 24.49 31.36 2.37 5.43 0.00 0.29 0.52 39 S C T 87.55 1.68 9.74 12.45 104.09 64.28 -88.85 26.92 92.14 0.48 7.38 18.30 30.47 43.58 1.69 5.41 0.00 0.21 0.35 40 G C S 55.34 2.42 11.16 14.84 103.19 -60.14 83.10 -0.38 93.68 0.76 5.56 26.41 43.85 23.46 1.06 4.40 0.00 0.34 0.48 41 H C C 129.92 3.38 11.64 16.61 108.47 102.52 -92.95 73.68 94.41 2.22 3.37 65.30 23.83 5.13 1.43 1.91 0.00 0.95 1.45 42 K C C 105.05 8.51 12.08 21.69 112.34 -140.82 -87.65 132.19 93.32 3.03 3.65 82.16 8.22 2.75 2.38 1.22 0.00 1.33 1.94 43 H C C 101.64 6.21 17.67 24.61 112.07 -124.14 -98.06 127.77 90.20 4.57 5.23 80.31 6.19 3.25 4.17 1.20 0.00 1.73 3.16 44 C C C 31.06 17.04 13.16 29.68 96.54 -102.66 -77.34 -10.28 69.56 2.64 27.80 51.93 10.50 6.24 26.73 2.05 0.01 0.79 1.75 45 T H H 64.51 7.63 18.59 26.90 92.97 90.66 -64.24 -40.29 9.85 0.10 90.04 4.58 1.64 3.81 87.17 2.71 0.00 0.04 0.05 46 G H H 30.38 4.96 19.98 25.71 91.87 52.30 -63.22 -41.00 3.34 0.02 96.64 0.68 0.38 2.05 91.42 5.44 0.00 0.01 0.01 47 Q H H 43.81 13.37 17.57 31.39 92.31 50.86 -65.47 -40.36 2.77 0.02 97.21 0.44 0.23 1.83 91.23 6.25 0.00 0.01 0.00 48 Y H H 63.87 14.06 18.08 32.12 92.08 51.45 -63.96 -41.44 2.75 0.01 97.24 0.36 0.23 1.97 94.43 3.00 0.00 0.01 0.00 49 F H H 104.60 4.17 21.87 26.01 91.69 51.05 -63.81 -41.93 0.43 0.00 99.57 0.06 0.03 0.26 99.50 0.15 0.00 0.00 0.00 50 D H H 58.52 7.76 20.16 28.66 91.81 50.45 -64.49 -41.21 0.21 0.00 99.79 0.02 0.01 0.14 99.73 0.10 0.00 0.00 0.00 51 Y H H 46.68 16.66 18.02 34.42 91.91 50.54 -63.74 -42.45 0.13 0.00 99.87 0.01 0.00 0.09 99.81 0.08 0.00 0.00 0.00 52 W H H 99.32 9.71 20.43 30.52 91.79 50.18 -63.89 -41.69 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.03 0.00 0.00 0.00 53 Q H H 84.04 3.72 22.06 25.55 91.58 50.70 -63.97 -42.39 0.14 0.00 99.86 0.00 0.00 0.11 99.85 0.03 0.00 0.00 0.00 54 C H H 21.43 12.54 17.47 31.47 91.80 49.92 -64.02 -43.09 0.23 0.00 99.77 0.01 0.01 0.17 99.76 0.05 0.00 0.00 0.00 55 I H H 33.30 16.40 16.66 33.07 92.81 47.62 -65.61 -41.68 0.27 0.00 99.73 0.01 0.01 0.20 99.71 0.07 0.00 0.00 0.00 56 D H H 81.36 5.70 19.43 25.74 94.71 43.95 -74.63 -37.01 1.03 0.00 98.96 0.03 0.04 0.93 98.86 0.15 0.00 0.00 0.00 57 K H H 128.70 2.37 19.90 21.82 100.90 33.68 -91.95 -34.93 9.21 0.00 90.79 0.07 0.19 10.04 89.34 0.35 0.01 0.00 0.00 58 C C T 45.64 9.62 17.41 28.11 106.11 26.83 -103.92 -38.10 60.64 0.03 39.33 0.31 1.30 58.01 39.67 0.65 0.01 0.01 0.03 59 V H H 22.55 16.09 15.96 32.46 98.84 37.26 -87.32 -30.04 28.51 0.11 71.38 1.30 2.27 24.66 69.97 1.60 0.08 0.03 0.10 60 A H H 32.75 11.31 15.60 28.28 92.08 69.41 -59.08 -44.39 2.22 0.00 97.78 0.50 0.20 1.23 95.68 2.39 0.00 0.00 0.00 61 P H H 76.37 2.71 20.36 22.53 91.58 49.95 -64.08 -39.86 1.13 0.00 98.87 0.16 0.07 0.74 95.94 3.08 0.00 0.00 0.00 62 K H H 97.33 5.27 18.84 24.70 92.30 48.84 -66.52 -40.62 0.56 0.00 99.44 0.08 0.04 0.36 96.87 2.66 0.00 0.00 0.00 63 L H H 34.06 13.57 13.84 28.35 92.37 50.47 -64.96 -41.89 0.89 0.00 99.10 0.15 0.07 0.56 97.69 1.53 0.00 0.00 0.00 64 F H H 97.88 5.75 14.74 21.95 92.08 50.85 -64.33 -39.85 2.01 0.00 97.99 0.30 0.15 1.37 95.42 2.74 0.00 0.00 0.00 65 A H H 70.98 1.75 14.93 16.50 92.18 52.82 -65.92 -36.94 5.74 0.01 94.26 0.41 0.28 4.84 88.86 5.60 0.00 0.00 0.00 66 K H H 122.38 4.06 12.79 18.14 93.20 52.25 -70.41 -29.12 17.43 0.02 82.55 1.02 0.82 15.46 77.63 5.03 0.01 0.01 0.02 67 L H H 78.26 8.90 8.76 18.58 97.80 53.29 -84.99 -10.56 41.72 0.21 58.07 15.75 1.52 24.45 54.84 3.19 0.01 0.07 0.17 68 K C C 147.56 2.95 13.09 17.64 102.66 127.45 -70.56 61.35 99.96 0.02 0.02 99.84 0.07 0.06 0.01 0.00 0.00 0.01 0.00