# 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 88.89 10.76 11.14 22.37 116.33 -137.64 -89.61 137.85 99.94 0.05 0.00 99.86 0.09 0.02 0.00 0.00 0.00 0.02 0.01 1 N C C 100.89 3.74 12.52 17.83 116.69 -141.52 -93.27 136.01 97.89 0.89 1.21 96.37 0.89 0.95 0.54 0.38 0.00 0.31 0.56 2 P C C 95.98 4.85 10.05 16.79 107.24 -111.65 -69.28 136.15 86.22 1.19 12.60 37.09 12.79 37.03 3.26 8.61 0.00 0.60 0.61 3 G C T 51.01 3.59 11.54 16.49 108.60 37.87 76.18 -22.35 82.36 1.03 16.62 30.99 17.43 34.86 4.40 11.21 0.00 0.43 0.68 4 E C C 128.74 3.87 11.18 16.50 102.96 60.35 -85.98 14.52 76.28 1.50 22.23 43.75 19.17 13.54 7.78 14.11 0.00 0.66 0.98 5 T C C 88.81 4.83 10.97 17.40 107.38 95.27 -87.01 66.54 80.81 1.79 17.41 54.20 15.33 11.39 7.53 9.64 0.00 0.87 1.04 6 V C C 103.10 3.83 12.76 18.12 109.27 54.31 -91.03 89.17 87.13 1.89 10.98 64.88 15.96 6.22 6.38 4.41 0.00 0.77 1.38 7 L C C 64.70 12.30 9.35 21.94 116.91 96.05 -87.54 139.26 96.95 0.48 2.57 73.84 21.82 1.23 2.11 0.47 0.00 0.15 0.39 8 P C C 61.61 5.45 13.21 20.52 113.03 -104.35 -66.15 148.33 94.47 0.13 5.40 88.69 3.73 1.72 5.26 0.48 0.00 0.04 0.08 9 P H H 100.14 3.02 13.02 17.43 94.00 -113.98 -61.16 -34.90 36.12 0.19 63.69 19.38 5.84 11.33 58.22 5.03 0.00 0.07 0.12 10 Q H H 118.76 2.28 15.21 17.82 94.12 53.56 -68.05 -35.38 24.20 0.18 75.62 10.16 4.01 10.51 70.04 5.08 0.01 0.08 0.10 11 L H H 48.04 11.69 13.03 25.60 94.37 50.62 -68.91 -37.68 15.18 0.21 84.61 8.93 2.24 4.72 79.18 4.73 0.01 0.10 0.09 12 R H H 98.30 11.54 16.25 27.93 92.68 54.65 -63.29 -40.95 4.89 0.03 95.08 2.63 0.72 1.58 94.08 0.96 0.00 0.01 0.01 13 E H H 101.29 4.77 20.44 25.66 92.42 50.78 -65.46 -40.36 1.82 0.01 98.17 0.73 0.22 0.76 97.90 0.38 0.00 0.00 0.00 14 E H H 81.27 8.52 21.49 30.32 91.98 50.10 -65.51 -41.08 1.10 0.00 98.89 0.41 0.11 0.52 98.71 0.25 0.00 0.00 0.00 15 I H H 22.56 19.21 19.72 38.63 91.71 50.08 -64.56 -42.70 0.39 0.00 99.61 0.10 0.03 0.19 99.59 0.09 0.00 0.00 0.00 16 A H H 27.24 14.92 22.74 37.20 91.25 51.28 -63.11 -41.96 0.13 0.00 99.87 0.03 0.01 0.06 99.87 0.03 0.00 0.00 0.00 17 L H H 68.40 9.04 26.11 35.48 91.77 50.50 -64.07 -41.59 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 18 L H H 26.39 17.75 25.16 42.11 91.69 49.84 -64.35 -42.54 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 19 A H H 8.96 21.78 25.00 45.94 91.83 50.45 -64.04 -42.35 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 20 V H H 38.68 13.64 27.50 41.27 91.68 50.87 -64.32 -42.93 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 21 Y H H 61.02 14.46 28.43 42.82 91.67 50.52 -63.75 -42.68 0.17 0.00 99.83 0.01 0.00 0.11 99.83 0.04 0.00 0.00 0.00 22 L H H 8.37 23.86 26.39 49.19 92.09 49.61 -64.50 -42.72 0.34 0.00 99.66 0.02 0.02 0.24 99.62 0.10 0.00 0.00 0.00 23 L H H 24.93 19.90 27.48 46.31 92.03 49.16 -64.89 -41.59 1.09 0.00 98.91 0.07 0.06 0.87 98.64 0.37 0.00 0.00 0.00 24 S H H 30.98 12.69 28.48 41.71 92.20 50.37 -66.14 -39.51 7.30 0.01 92.69 0.33 0.38 6.56 91.41 1.29 0.01 0.00 0.01 25 S H H 13.38 18.97 24.96 43.31 92.21 51.09 -67.13 -36.60 21.69 0.09 78.22 1.77 1.87 18.10 75.00 3.11 0.07 0.03 0.07 26 G H H 4.91 22.68 20.45 42.48 92.01 60.52 -63.80 -35.16 32.76 0.60 66.64 7.53 5.46 20.12 51.23 14.81 0.16 0.23 0.46 27 R C T 110.99 10.02 25.18 35.32 93.09 59.82 -66.44 -29.34 52.04 0.38 47.59 2.98 4.25 42.96 32.45 16.69 0.13 0.17 0.37 28 G C T 24.87 10.70 21.21 32.38 95.81 46.74 -79.90 -11.82 59.03 0.20 40.78 6.11 4.79 47.40 26.01 15.36 0.02 0.09 0.21 29 L C G 33.69 19.89 14.77 33.62 95.15 87.73 -67.95 -33.30 51.39 1.41 47.19 13.25 12.12 27.32 13.55 31.88 0.08 0.59 1.21 30 L C T 92.67 8.90 18.28 27.51 93.80 55.24 -71.14 -28.69 61.46 0.31 38.24 2.04 6.43 53.35 9.48 28.21 0.02 0.16 0.31 31 E C T 145.43 1.77 19.57 20.77 99.84 33.66 -99.81 0.83 63.07 0.22 36.71 2.92 7.75 53.36 9.62 25.97 0.02 0.11 0.26 32 E C S 43.13 17.18 8.78 25.09 121.07 104.20 -83.68 147.68 99.63 0.20 0.17 21.48 77.89 0.29 0.09 0.03 0.00 0.04 0.18 33 P C C 71.07 3.37 19.08 22.43 114.59 -98.84 -64.20 148.12 99.52 0.09 0.39 98.53 0.85 0.25 0.21 0.05 0.00 0.02 0.08 34 A H G 63.99 11.20 13.24 24.90 92.46 -111.15 -58.98 -35.13 30.30 0.04 69.66 0.78 2.15 27.59 15.60 53.83 0.00 0.02 0.03 35 D H G 104.62 3.37 18.94 23.00 92.19 59.53 -68.26 -25.39 29.17 0.04 70.79 0.48 1.59 27.29 17.50 53.08 0.01 0.02 0.03 36 Y H G 88.76 9.41 18.37 28.60 98.35 43.06 -95.49 -7.91 14.35 0.03 85.62 1.20 1.05 10.76 43.13 43.81 0.01 0.02 0.02 37 G H H 5.09 19.73 16.19 36.48 91.85 83.67 -59.85 -44.32 0.97 0.00 99.03 0.18 0.07 0.55 98.48 0.72 0.00 0.00 0.00 38 I H H 35.88 17.58 21.19 38.10 91.81 50.87 -63.75 -41.16 0.28 0.00 99.72 0.02 0.01 0.22 98.90 0.86 0.00 0.00 0.00 39 Y H H 107.29 6.79 26.37 33.54 91.76 50.37 -64.64 -41.46 0.08 0.00 99.92 0.00 0.00 0.06 99.31 0.62 0.00 0.00 0.00 40 R H H 73.33 11.58 25.48 37.20 91.91 50.09 -64.85 -42.08 0.07 0.00 99.93 0.00 0.00 0.05 99.76 0.17 0.00 0.00 0.00 41 C H H 4.82 24.34 21.82 45.51 91.67 49.85 -64.56 -43.22 0.11 0.00 99.89 0.01 0.00 0.08 99.85 0.06 0.00 0.00 0.00 42 T H H 25.29 17.32 24.20 40.77 91.37 49.57 -63.48 -43.24 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 43 D H H 69.20 4.65 28.45 33.55 91.41 49.37 -63.41 -42.41 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 44 G H H 10.04 14.38 23.74 38.68 91.36 50.23 -63.91 -42.60 0.16 0.00 99.84 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 45 A H H 5.50 23.86 20.73 44.24 91.47 51.16 -63.45 -42.29 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 46 R H H 101.35 10.48 26.09 36.44 91.32 51.07 -62.93 -42.33 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 47 R H H 111.66 4.72 27.54 32.52 91.48 49.90 -64.06 -42.15 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 48 A H H 10.58 18.64 21.87 40.34 91.46 49.90 -63.69 -42.83 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 49 L H H 17.87 19.59 20.21 39.62 91.44 50.61 -63.24 -42.26 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 50 Q H H 93.25 3.88 25.43 29.05 91.42 50.90 -63.29 -41.71 0.17 0.00 99.83 0.01 0.00 0.13 99.82 0.03 0.00 0.00 0.00 51 L H H 53.24 7.19 21.54 29.76 91.68 50.15 -64.13 -42.55 0.51 0.00 99.49 0.03 0.02 0.35 99.47 0.12 0.00 0.00 0.00 52 L H H 15.29 17.83 14.68 33.12 91.85 50.11 -64.84 -40.61 1.27 0.00 98.72 0.16 0.10 0.82 98.50 0.41 0.00 0.00 0.00 53 D H H 70.73 9.74 15.61 25.96 91.65 52.63 -63.85 -39.02 4.16 0.01 95.84 0.47 0.26 3.15 94.94 1.17 0.00 0.00 0.00 54 E H H 150.07 1.13 17.30 17.59 91.31 53.01 -68.44 -27.71 12.76 0.02 87.22 0.66 0.78 11.18 86.11 1.23 0.01 0.01 0.01 55 H C T 112.80 5.33 13.19 19.86 96.89 48.12 -91.80 0.50 61.76 0.09 38.15 1.58 4.21 53.99 38.44 1.66 0.02 0.03 0.08 56 G C T 52.27 2.93 15.93 19.47 102.25 -95.33 91.38 8.55 97.05 0.13 2.82 14.77 9.04 73.50 1.90 0.66 0.00 0.06 0.07 57 G C C 35.17 8.81 13.50 23.26 117.10 -130.78 77.74 169.28 97.66 0.41 1.93 80.08 8.89 8.77 0.63 1.17 0.00 0.20 0.26 58 S C C 66.06 9.07 14.61 24.66 120.18 -95.03 -109.79 137.43 97.61 0.51 1.88 75.62 13.74 8.22 0.67 1.13 0.00 0.22 0.40 59 T C C 47.53 10.97 13.10 25.18 121.86 -168.34 -108.85 141.82 98.28 0.22 1.50 90.61 6.87 0.84 1.14 0.25 0.00 0.06 0.21 60 A H H 87.54 1.43 17.51 18.47 91.97 -123.25 -61.24 -34.94 9.92 0.01 90.07 1.66 1.83 5.97 89.27 1.25 0.00 0.00 0.01 61 R H H 116.37 6.45 17.79 25.20 91.75 54.21 -65.01 -39.43 4.58 0.01 95.41 0.50 0.42 3.43 94.46 1.18 0.00 0.00 0.00 62 L H H 10.13 21.83 12.79 34.55 92.11 49.17 -66.10 -40.80 1.62 0.01 98.37 0.38 0.15 0.94 97.46 1.07 0.00 0.01 0.00 63 T H H 63.12 6.01 20.40 27.06 91.40 51.66 -63.36 -41.24 0.67 0.00 99.33 0.17 0.06 0.32 99.16 0.29 0.00 0.00 0.00 64 A H H 51.91 2.70 22.47 24.28 91.24 51.12 -63.72 -41.58 0.47 0.00 99.53 0.10 0.03 0.23 99.52 0.12 0.00 0.00 0.00 65 V H H 13.22 18.09 17.43 36.18 91.76 49.69 -64.17 -42.75 0.30 0.00 99.70 0.05 0.01 0.16 99.70 0.08 0.00 0.00 0.00 66 R H H 69.41 16.05 18.79 34.10 91.46 52.43 -61.73 -42.02 0.22 0.00 99.78 0.02 0.01 0.12 99.77 0.07 0.00 0.00 0.00 67 E H H 112.68 1.85 23.99 23.92 91.42 50.39 -63.83 -41.28 0.38 0.00 99.62 0.04 0.01 0.23 99.63 0.09 0.00 0.00 0.00 68 R H H 96.68 7.27 21.17 28.94 91.78 49.59 -64.71 -40.82 0.73 0.00 99.26 0.06 0.03 0.49 99.25 0.16 0.00 0.00 0.00 69 L H H 7.69 23.44 13.72 37.28 91.60 50.29 -64.02 -42.20 0.88 0.00 99.12 0.12 0.06 0.53 98.89 0.39 0.00 0.00 0.00 70 D H H 75.08 7.68 19.74 28.06 91.43 51.69 -63.59 -38.34 2.54 0.00 97.46 0.32 0.14 1.77 96.22 1.54 0.00 0.00 0.00 71 E H H 123.32 1.81 21.84 22.19 92.04 51.36 -67.50 -35.94 8.27 0.01 91.72 0.37 0.35 7.36 89.57 2.33 0.01 0.00 0.00 72 V H H 36.28 13.59 15.93 30.09 96.66 44.67 -84.38 -21.51 18.57 0.05 81.39 1.68 1.43 15.07 77.61 4.14 0.02 0.02 0.03 73 M H H 55.77 17.70 14.60 31.52 92.89 81.66 -62.92 -35.38 47.50 0.27 52.23 4.49 3.83 38.41 44.92 7.97 0.06 0.12 0.21 74 F C T 137.93 3.44 20.10 23.82 95.16 51.68 -84.26 -10.18 58.58 0.30 41.12 5.76 5.18 46.30 32.06 10.27 0.03 0.14 0.25 75 A C C 45.64 7.74 17.32 26.26 104.02 84.78 -74.41 21.31 63.54 0.70 35.76 35.46 18.95 9.64 21.61 13.58 0.01 0.27 0.49 76 P C C 38.80 14.44 13.61 28.15 98.39 55.37 -67.69 -16.86 57.47 1.18 41.34 37.16 5.30 14.54 15.17 26.58 0.00 0.66 0.59 77 M C T 97.46 10.43 14.71 25.18 98.59 55.71 -75.18 -10.42 60.29 0.69 39.02 11.82 9.05 38.88 12.89 26.45 0.02 0.34 0.55 78 G C T 55.25 2.45 16.67 19.08 99.97 41.39 -85.01 -20.11 69.82 0.52 29.66 9.60 18.17 42.65 8.23 20.59 0.01 0.23 0.51 79 E C C 98.17 4.94 14.38 20.58 112.84 53.51 -108.57 110.11 98.12 0.43 1.45 76.51 20.42 1.17 0.87 0.49 0.00 0.12 0.41 80 D H H 84.49 9.53 11.99 22.55 94.17 -160.68 -64.07 -31.29 17.36 0.07 82.57 3.26 3.67 10.62 76.96 5.39 0.03 0.03 0.05 81 R H H 168.02 1.65 17.48 18.90 92.71 55.80 -66.61 -37.80 13.74 0.03 86.23 1.36 1.55 10.55 81.17 5.32 0.02 0.02 0.02 82 D H H 71.94 4.71 17.85 23.26 93.68 48.59 -69.13 -35.76 9.56 0.03 90.40 2.36 0.96 5.72 85.49 5.44 0.01 0.02 0.01 83 M H H 19.14 19.32 14.09 33.44 91.98 55.93 -63.04 -43.22 1.32 0.00 98.68 0.45 0.13 0.56 98.47 0.39 0.00 0.00 0.00 84 G H H 20.22 12.23 19.40 32.12 91.72 51.81 -62.58 -42.21 0.40 0.00 99.60 0.08 0.03 0.20 99.59 0.10 0.00 0.00 0.00 85 A H H 59.62 2.39 24.61 25.50 91.67 50.03 -64.25 -41.85 0.21 0.00 99.79 0.03 0.01 0.12 99.77 0.06 0.00 0.00 0.00 86 I H H 37.05 11.95 21.08 33.82 91.87 49.74 -63.94 -42.78 0.12 0.00 99.88 0.01 0.01 0.07 99.88 0.03 0.00 0.00 0.00 87 L H H 9.32 24.05 18.29 42.32 91.41 49.93 -63.44 -43.10 0.07 0.00 99.93 0.00 0.00 0.03 99.94 0.01 0.00 0.00 0.00 88 D H H 59.44 10.39 22.94 33.17 91.30 50.92 -62.46 -42.05 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 89 D H H 80.15 2.73 26.30 27.99 91.49 49.54 -64.16 -41.74 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 90 L H H 17.49 16.39 21.20 38.01 91.49 49.94 -63.56 -43.38 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 91 C H H 10.34 22.32 19.66 41.74 91.36 50.28 -63.30 -42.78 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 92 R H H 122.01 5.91 24.68 30.99 91.53 50.51 -63.56 -41.53 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 93 Q H H 83.26 5.28 25.17 30.73 91.66 49.34 -64.34 -42.23 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 94 M H H 17.34 20.30 20.52 40.39 91.73 49.43 -64.14 -42.89 0.27 0.00 99.73 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 95 A H H 16.70 16.57 19.90 36.70 91.61 51.11 -63.02 -41.85 0.66 0.00 99.34 0.06 0.03 0.45 99.26 0.20 0.00 0.00 0.00 96 D H H 88.91 2.42 25.01 26.37 91.63 50.55 -64.49 -40.26 4.63 0.00 95.37 0.18 0.17 4.13 95.00 0.52 0.00 0.00 0.00 97 A H H 28.91 9.11 19.37 29.91 92.03 50.62 -65.24 -40.88 9.90 0.01 90.09 0.58 0.61 8.26 89.62 0.92 0.00 0.00 0.01 98 L H H 21.13 18.75 14.42 33.15 92.26 51.75 -65.74 -39.80 16.65 0.14 83.21 6.61 3.42 7.26 77.06 5.49 0.02 0.06 0.08 99 P H H 67.77 7.55 16.37 24.87 92.52 53.47 -66.26 -35.52 26.12 0.27 73.62 11.42 3.25 11.75 63.71 9.57 0.02 0.14 0.14 100 E H H 133.22 2.05 17.02 19.00 94.47 54.11 -72.92 -26.64 34.93 0.38 64.69 12.33 5.61 17.67 53.65 10.31 0.04 0.18 0.21 101 I C H 84.97 8.51 12.01 21.51 98.69 57.15 -79.78 -20.53 51.09 0.77 48.14 20.28 12.96 19.52 39.37 7.04 0.05 0.30 0.48 102 E C C 111.27 6.55 11.20 19.04 102.60 59.48 -89.61 11.20 77.49 1.07 21.44 47.07 11.36 19.46 16.14 4.75 0.00 0.40 0.83 103 T C C 88.45 4.33 9.39 15.74 115.01 119.39 -91.15 130.52 99.74 0.16 0.10 97.43 2.12 0.25 0.06 0.02 0.00 0.06 0.06 104 P C C 96.85 3.67 12.85 18.04 108.72 -79.08 -68.33 139.16 99.98 0.01 0.01 99.88 0.07 0.03 0.00 0.00 0.00 0.00 0.00