# 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 86.98 8.64 12.68 22.39 109.76 -137.14 -84.20 122.23 99.92 0.03 0.06 99.87 0.04 0.03 0.04 0.00 0.00 0.01 0.00 1 K C C 127.96 3.88 11.73 16.95 100.23 -123.80 -73.86 -30.94 56.78 2.46 40.75 51.28 0.86 4.00 40.61 0.97 0.00 0.66 1.62 2 K H H 140.90 1.90 11.49 14.12 94.39 58.57 -66.84 -38.19 24.38 0.37 75.24 14.65 3.38 6.07 74.24 1.34 0.01 0.16 0.16 3 L H H 98.69 2.90 12.27 16.25 93.55 51.13 -66.79 -39.61 10.33 0.19 89.48 6.40 1.20 2.72 88.33 1.19 0.00 0.09 0.06 4 L H H 80.05 5.43 12.48 19.22 92.67 51.19 -65.32 -40.97 3.68 0.08 96.25 2.25 0.43 1.02 95.44 0.80 0.00 0.05 0.01 5 V H H 77.21 3.90 14.21 19.07 92.32 50.29 -65.25 -41.22 1.84 0.04 98.12 1.01 0.18 0.59 97.71 0.47 0.00 0.03 0.00 6 T H H 74.99 2.82 15.75 18.82 92.15 49.65 -65.01 -41.44 1.25 0.02 98.73 0.59 0.11 0.46 98.49 0.33 0.00 0.01 0.00 7 V H H 73.56 4.85 15.57 21.38 92.11 49.42 -65.15 -41.31 0.93 0.01 99.06 0.32 0.07 0.41 98.93 0.26 0.00 0.01 0.00 8 L H H 77.70 6.15 15.74 22.79 92.12 50.37 -64.40 -41.30 0.87 0.01 99.12 0.23 0.06 0.44 99.00 0.26 0.00 0.01 0.00 9 L H H 93.62 3.37 17.49 20.82 92.14 49.91 -64.92 -40.82 1.08 0.01 98.91 0.23 0.07 0.61 98.75 0.32 0.00 0.01 0.00 10 A H H 59.24 3.58 17.30 21.37 92.27 50.41 -65.20 -41.02 1.82 0.01 98.17 0.34 0.13 1.11 97.98 0.43 0.00 0.00 0.00 11 V H H 66.03 7.37 16.30 24.51 92.28 50.02 -65.44 -41.42 2.81 0.01 97.17 0.48 0.22 1.80 96.96 0.52 0.00 0.01 0.00 12 F H H 110.29 4.97 18.08 23.38 92.29 49.28 -65.00 -40.95 3.14 0.01 96.85 0.64 0.29 1.88 96.63 0.55 0.00 0.00 0.00 13 G H H 35.62 3.67 18.55 22.25 92.26 51.15 -64.54 -41.28 3.74 0.01 96.25 0.98 0.37 2.01 96.09 0.54 0.00 0.00 0.01 14 A H H 47.92 5.97 17.56 24.62 92.35 50.91 -64.92 -41.06 2.92 0.01 97.08 0.86 0.31 1.49 96.79 0.54 0.00 0.00 0.00 15 L H H 72.50 7.93 17.52 26.14 92.27 50.45 -64.81 -40.91 2.12 0.01 97.87 0.64 0.21 1.08 97.55 0.51 0.00 0.00 0.00 16 A H H 53.80 4.57 18.98 23.50 92.07 51.23 -64.18 -41.63 1.82 0.01 98.17 0.51 0.17 0.94 97.88 0.49 0.00 0.00 0.00 17 F H H 111.46 3.23 19.82 22.85 92.26 49.50 -65.03 -41.27 2.24 0.01 97.75 0.58 0.22 1.25 97.34 0.60 0.00 0.00 0.00 18 A H H 38.63 7.38 16.49 25.40 92.19 51.07 -64.31 -40.80 3.09 0.01 96.89 0.80 0.32 1.75 96.45 0.68 0.00 0.01 0.00 19 A H H 49.21 6.35 16.88 24.29 92.29 51.44 -64.81 -39.83 4.68 0.02 95.29 1.35 0.58 2.56 94.47 1.02 0.01 0.01 0.01 20 E H H 110.16 2.89 18.42 21.16 92.56 51.04 -65.66 -40.89 7.20 0.04 92.76 2.28 0.98 3.91 91.21 1.58 0.01 0.02 0.02 21 E H H 106.63 3.51 17.39 21.33 92.51 50.19 -66.77 -39.23 11.41 0.07 88.51 3.64 1.59 6.19 86.32 2.16 0.02 0.03 0.04 22 A H H 47.43 7.51 13.70 22.63 93.22 52.33 -66.54 -36.42 20.00 0.16 79.84 7.54 3.17 9.77 76.53 2.82 0.02 0.07 0.09 23 A H H 67.74 4.02 14.44 19.54 93.96 53.79 -70.09 -28.50 36.91 0.36 62.73 16.40 5.90 15.44 58.77 3.12 0.02 0.14 0.21 24 A C H 78.01 2.65 13.58 16.98 97.20 60.19 -77.41 -16.48 60.17 0.49 39.34 27.62 10.31 22.22 35.94 3.41 0.01 0.18 0.31 25 S C C 78.01 3.35 12.13 16.76 104.00 60.44 -87.05 21.07 78.16 0.55 21.30 34.65 16.87 26.87 17.20 3.81 0.00 0.20 0.40 26 G C C 53.08 2.87 13.06 17.22 107.60 -77.70 79.80 -5.08 85.90 0.49 13.61 37.22 20.79 28.43 8.67 4.32 0.00 0.19 0.38 27 G C C 47.11 4.27 13.64 19.11 109.14 2.99 74.98 -107.38 75.21 0.68 24.11 40.53 17.79 17.29 17.29 6.32 0.00 0.24 0.54 28 L C H 103.19 5.13 13.63 19.90 103.29 29.03 -79.39 -17.13 55.03 0.70 44.27 20.95 14.79 20.71 36.61 6.20 0.03 0.27 0.45 29 D H H 82.81 6.20 15.77 22.77 101.53 57.68 -75.03 -13.20 42.64 0.47 56.89 20.86 7.68 15.57 50.45 4.94 0.02 0.19 0.29 30 R H H 117.17 9.51 15.60 25.53 95.79 69.11 -67.08 -37.25 16.23 0.10 83.67 4.76 2.78 9.04 80.30 2.99 0.02 0.04 0.06 31 G H H 34.95 5.95 17.95 24.63 93.07 52.69 -64.45 -39.48 13.24 0.06 86.70 3.22 1.71 8.18 84.49 2.33 0.01 0.03 0.04 32 L H H 84.40 5.27 20.75 26.08 92.58 51.39 -66.54 -39.90 4.39 0.02 95.59 1.25 0.57 2.42 94.36 1.38 0.00 0.01 0.01 33 I H H 51.26 14.05 19.05 32.76 92.29 51.04 -64.70 -41.62 1.24 0.00 98.75 0.32 0.13 0.68 98.44 0.43 0.00 0.00 0.00 34 A H H 35.06 13.28 20.34 33.53 92.04 50.94 -63.87 -41.61 0.79 0.00 99.21 0.15 0.06 0.48 99.01 0.30 0.00 0.00 0.00 35 V H H 82.53 4.14 25.64 29.42 91.71 49.25 -64.30 -41.93 0.57 0.00 99.43 0.07 0.03 0.38 99.32 0.20 0.00 0.00 0.00 36 G H H 23.73 8.95 23.30 32.58 91.78 49.57 -64.29 -42.27 0.51 0.00 99.49 0.05 0.02 0.34 99.44 0.15 0.00 0.00 0.00 37 M H H 36.22 18.23 21.43 38.80 91.74 50.20 -64.30 -41.65 0.41 0.00 99.59 0.03 0.02 0.28 99.55 0.11 0.00 0.00 0.00 38 G H H 24.84 11.37 23.63 35.01 91.56 51.55 -63.02 -42.34 0.35 0.00 99.65 0.03 0.01 0.24 99.62 0.10 0.00 0.00 0.00 39 L H H 89.97 3.68 27.45 30.93 91.37 49.50 -63.95 -42.07 0.25 0.00 99.75 0.02 0.01 0.18 99.70 0.09 0.00 0.00 0.00 40 A H H 25.28 14.10 23.02 37.02 91.57 49.94 -64.20 -42.38 0.29 0.00 99.71 0.02 0.01 0.21 99.65 0.11 0.00 0.00 0.00 41 V H H 31.29 18.94 22.45 40.25 91.50 49.79 -63.84 -41.97 0.32 0.00 99.68 0.02 0.01 0.22 99.65 0.10 0.00 0.00 0.00 42 G H H 31.96 7.20 25.83 33.17 91.58 50.45 -63.15 -42.64 0.41 0.00 99.58 0.03 0.02 0.27 99.55 0.13 0.00 0.00 0.00 43 L H H 83.74 4.76 27.39 32.22 91.51 48.72 -64.38 -41.65 0.55 0.00 99.45 0.04 0.02 0.39 99.32 0.22 0.00 0.00 0.00 44 A H H 15.12 18.72 20.83 39.16 91.51 50.70 -64.41 -41.71 1.06 0.00 98.94 0.06 0.04 0.84 98.74 0.32 0.00 0.00 0.00 45 A H H 33.21 14.65 23.01 37.15 91.67 50.54 -64.01 -41.69 2.42 0.00 97.58 0.14 0.10 2.01 97.41 0.35 0.00 0.00 0.00 46 L H H 94.37 3.33 27.60 30.58 91.46 49.43 -63.99 -42.10 1.22 0.00 98.78 0.12 0.08 0.84 98.80 0.16 0.00 0.00 0.00 47 G H H 22.70 9.45 24.62 34.59 91.76 49.95 -64.13 -42.50 0.83 0.00 99.17 0.10 0.04 0.51 99.20 0.14 0.00 0.00 0.00 48 T H H 18.82 19.48 20.70 39.57 91.64 50.55 -64.10 -41.61 0.66 0.00 99.34 0.06 0.03 0.44 99.32 0.15 0.00 0.00 0.00 49 G H H 28.24 9.28 24.29 33.75 91.67 51.09 -63.59 -42.21 0.48 0.00 99.52 0.05 0.02 0.30 99.53 0.10 0.00 0.00 0.00 50 V H H 81.69 3.37 27.13 29.88 91.44 48.87 -64.32 -42.23 0.32 0.00 99.68 0.03 0.02 0.19 99.70 0.06 0.00 0.00 0.00 51 A H H 19.61 14.28 21.41 36.06 91.66 50.07 -64.02 -42.56 0.29 0.00 99.71 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 52 Q H H 47.56 16.79 21.22 37.10 91.55 50.52 -63.58 -41.37 0.25 0.00 99.75 0.02 0.01 0.15 99.78 0.03 0.00 0.00 0.00 53 A H H 56.42 5.57 24.77 30.34 91.84 50.50 -64.43 -41.91 0.26 0.00 99.74 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 54 R H H 123.41 4.83 25.52 30.45 91.83 48.37 -65.67 -41.00 0.40 0.00 99.60 0.03 0.02 0.27 99.63 0.05 0.00 0.00 0.00 55 I H H 38.53 16.14 21.19 36.73 92.10 49.24 -64.53 -42.33 0.32 0.00 99.68 0.03 0.02 0.21 99.71 0.04 0.00 0.00 0.00 56 G H H 22.10 12.57 21.74 34.37 91.94 50.35 -63.42 -42.65 0.33 0.00 99.67 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 57 A H H 59.00 3.74 25.98 29.28 91.81 49.71 -64.19 -41.64 0.34 0.00 99.66 0.03 0.01 0.23 99.67 0.06 0.00 0.00 0.00 58 A H H 42.89 8.15 23.90 32.45 91.97 49.26 -64.98 -41.35 0.64 0.00 99.35 0.04 0.03 0.48 99.35 0.10 0.00 0.00 0.00 59 G H H 12.31 16.98 19.14 35.99 91.90 50.86 -64.53 -41.88 1.15 0.00 98.85 0.09 0.05 0.85 98.88 0.13 0.00 0.00 0.00 60 V H H 68.70 7.03 23.53 30.80 91.51 50.00 -63.72 -41.88 0.99 0.00 99.01 0.11 0.07 0.64 99.01 0.16 0.00 0.00 0.00 61 G H H 32.28 3.77 22.75 26.35 91.54 50.15 -63.95 -41.56 1.66 0.00 98.34 0.18 0.10 1.14 98.26 0.31 0.00 0.00 0.00 62 A H H 22.44 10.57 16.93 29.17 91.87 51.20 -64.65 -40.74 2.07 0.01 97.92 0.28 0.18 1.39 97.46 0.68 0.00 0.00 0.00 63 I H H 56.17 10.93 15.26 27.08 92.03 50.66 -65.33 -38.86 3.04 0.02 96.95 0.45 0.30 2.10 96.21 0.93 0.01 0.01 0.00 64 A H H 74.43 2.70 16.94 19.78 92.36 52.04 -68.23 -32.37 8.78 0.02 91.20 0.61 0.66 7.27 90.49 0.94 0.01 0.00 0.01 65 E H H 129.73 2.26 15.30 17.70 96.33 41.66 -81.98 -29.36 21.34 0.04 78.62 0.82 2.56 17.37 78.55 0.63 0.03 0.01 0.03 66 D C C 72.47 5.69 12.95 20.24 115.36 14.90 -137.69 85.36 96.57 0.13 3.30 80.14 11.19 4.95 2.99 0.54 0.00 0.04 0.14 67 R H G 147.77 5.94 11.68 19.69 94.12 -175.78 -64.49 -26.68 23.44 0.09 76.47 3.79 2.12 15.96 12.41 65.64 0.00 0.05 0.04 68 S H G 88.61 1.36 16.37 17.20 92.66 64.34 -71.26 -17.00 22.21 0.09 77.70 2.62 1.98 16.17 13.54 65.60 0.00 0.05 0.04 69 N H G 63.44 9.43 13.26 23.82 96.94 55.51 -86.88 -3.68 19.16 0.16 80.68 7.52 2.32 8.26 19.22 62.55 0.00 0.09 0.05 70 F H H 74.77 13.76 13.34 27.24 93.49 94.58 -62.71 -40.71 17.54 0.14 82.32 7.67 3.00 7.39 75.12 6.66 0.01 0.06 0.09 71 G H H 37.61 4.18 19.61 23.75 92.40 51.74 -63.28 -41.51 12.54 0.05 87.41 4.12 1.49 6.53 84.56 3.24 0.00 0.02 0.03 72 T H H 68.49 4.76 20.67 25.47 92.23 50.04 -66.31 -39.35 4.74 0.03 95.24 1.71 0.51 2.32 93.01 2.43 0.00 0.01 0.01 73 A H H 15.81 16.20 15.20 32.04 91.90 52.60 -63.47 -41.79 1.74 0.01 98.25 0.57 0.17 0.87 96.84 1.54 0.00 0.01 0.00 74 L H H 70.73 9.91 19.63 29.90 91.91 50.94 -64.15 -41.19 1.09 0.00 98.90 0.21 0.09 0.68 97.57 1.44 0.00 0.00 0.00 75 I H H 95.42 3.47 21.85 24.78 91.81 50.35 -64.61 -41.90 0.52 0.00 99.48 0.05 0.03 0.38 97.83 1.71 0.00 0.00 0.00 76 F H H 78.31 10.31 19.48 30.06 92.48 48.99 -66.44 -39.19 1.21 0.00 98.79 0.06 0.04 1.06 96.10 2.74 0.00 0.00 0.00 77 L H H 37.16 17.15 17.02 33.64 92.37 50.15 -66.38 -38.88 7.42 0.00 92.58 0.12 0.15 7.71 89.58 2.43 0.00 0.00 0.00 78 L H H 76.63 7.59 20.92 28.77 92.77 50.94 -67.11 -37.08 11.65 0.00 88.35 0.19 0.41 11.48 86.72 1.19 0.01 0.00 0.00 79 L H H 82.91 4.92 22.99 27.66 92.00 53.91 -64.20 -42.48 8.14 0.04 91.82 1.90 1.18 4.67 88.99 3.20 0.01 0.02 0.02 80 P H H 23.39 15.46 18.48 34.50 91.98 49.57 -64.50 -40.55 6.02 0.12 93.86 1.64 0.59 3.39 90.42 3.82 0.01 0.09 0.04 81 E H H 62.69 13.28 20.62 33.61 92.01 50.71 -64.33 -40.52 4.35 0.07 95.57 1.56 0.47 2.13 92.29 3.48 0.00 0.05 0.03 82 T H H 63.69 5.40 23.27 28.37 91.95 51.49 -64.48 -41.72 1.65 0.01 98.34 0.47 0.16 0.91 97.75 0.70 0.00 0.00 0.01 83 L H H 61.76 9.60 22.05 31.73 92.00 49.89 -65.06 -41.20 0.18 0.00 99.81 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 84 V H H 25.52 17.45 18.50 35.71 92.01 50.25 -64.13 -42.41 0.07 0.00 99.93 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 85 I H H 72.02 8.40 22.79 31.37 91.95 49.16 -63.92 -42.48 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 86 F H H 104.63 4.31 24.30 28.19 91.70 49.03 -63.93 -42.14 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 87 G H H 12.61 14.27 18.44 33.52 91.83 51.86 -63.50 -42.47 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 88 L H H 53.21 12.89 20.19 33.07 91.77 50.02 -63.65 -41.67 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 89 L H H 80.17 5.14 22.33 27.19 91.68 49.88 -63.93 -42.42 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 90 I H H 65.18 6.86 20.60 27.89 91.90 49.76 -64.56 -41.87 0.15 0.00 99.85 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 91 A H H 19.34 13.37 15.45 30.19 91.48 51.33 -63.65 -41.84 0.34 0.00 99.66 0.02 0.01 0.24 99.54 0.18 0.00 0.00 0.00 92 F H H 85.00 7.16 16.61 24.87 91.92 49.84 -64.56 -41.18 0.86 0.00 99.14 0.06 0.04 0.66 98.81 0.43 0.00 0.00 0.00 93 I H H 100.19 3.22 16.24 19.92 92.26 49.67 -65.44 -39.81 2.15 0.01 97.85 0.16 0.12 1.73 97.30 0.69 0.00 0.00 0.00 94 L H H 87.87 6.47 13.46 20.89 92.80 50.68 -68.54 -32.08 10.05 0.03 89.92 0.52 0.58 8.88 88.85 1.13 0.02 0.01 0.02 95 N C T 90.57 5.68 12.12 19.20 95.36 48.44 -84.12 -5.48 55.46 0.08 44.46 1.30 2.32 50.14 44.50 1.65 0.02 0.03 0.06 96 G C T 56.27 2.63 12.40 16.21 98.22 -96.61 72.76 11.03 80.37 0.28 19.35 7.45 6.05 64.77 19.68 1.77 0.00 0.11 0.16 97 R C C 147.51 4.00 10.77 16.56 104.12 118.91 -87.64 31.19 94.58 1.27 4.15 84.36 1.76 8.78 3.06 0.71 0.00 0.61 0.72 98 L C C 95.24 8.22 11.75 20.89 109.60 96.74 -91.32 106.68 99.93 0.07 0.00 99.92 0.04 0.01 0.00 0.00 0.00 0.03 0.01