# 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 94.38 6.53 11.84 19.78 116.58 -150.22 -92.76 133.86 99.96 0.03 0.02 99.87 0.09 0.02 0.01 0.00 0.00 0.01 0.00 1 P C C 86.37 3.54 10.90 15.95 105.50 -112.77 -67.13 127.52 67.04 1.87 31.09 60.55 1.23 7.57 20.01 8.62 0.00 1.07 0.95 2 V H G 109.49 2.50 8.91 12.83 96.80 62.99 -70.85 -27.92 33.50 1.85 64.65 13.04 6.16 14.37 28.35 36.22 0.08 1.02 0.75 3 L H G 122.24 1.78 9.70 12.42 96.25 58.22 -74.69 -24.82 25.33 1.59 73.08 8.45 4.57 12.11 30.16 43.20 0.04 0.97 0.49 4 L H G 106.53 2.78 10.12 14.25 98.20 60.08 -77.72 -22.17 29.62 1.50 68.88 9.24 5.48 14.54 26.60 42.68 0.05 0.84 0.57 5 G C H 37.47 4.25 11.26 17.07 98.75 55.96 -67.40 -27.66 51.84 0.92 47.24 21.57 7.17 23.51 29.81 16.93 0.03 0.42 0.59 6 I H H 96.12 2.93 11.90 15.94 95.50 68.75 -67.11 -40.56 16.65 0.11 83.23 9.16 3.54 4.08 81.71 1.41 0.00 0.04 0.05 7 P H H 74.48 2.86 13.10 16.84 93.26 51.68 -65.76 -38.31 9.04 0.06 90.90 4.77 0.94 3.12 89.96 1.15 0.00 0.03 0.03 8 L H H 91.08 2.78 12.74 16.45 93.04 51.72 -66.12 -40.06 1.76 0.02 98.22 0.74 0.21 0.80 97.22 1.02 0.00 0.01 0.01 9 L H H 96.62 2.21 13.47 16.14 92.63 50.90 -65.21 -40.71 0.70 0.01 99.30 0.23 0.09 0.33 98.87 0.47 0.00 0.00 0.00 10 L H H 96.27 2.19 13.67 16.23 92.36 50.43 -64.98 -40.18 0.59 0.01 99.41 0.16 0.06 0.32 99.12 0.33 0.00 0.00 0.00 11 R H H 130.94 2.70 13.70 17.19 92.48 51.10 -65.27 -40.16 0.77 0.00 99.23 0.15 0.06 0.49 98.92 0.37 0.00 0.00 0.00 12 F H H 118.49 2.37 14.39 17.08 92.24 50.52 -65.21 -41.04 1.14 0.01 98.85 0.16 0.08 0.81 98.52 0.43 0.00 0.00 0.00 13 L H H 98.12 1.80 15.27 16.70 92.50 49.84 -65.27 -40.62 1.34 0.00 98.65 0.16 0.09 0.96 98.21 0.57 0.00 0.00 0.00 14 G H H 33.60 3.19 13.70 18.08 92.15 51.42 -64.11 -40.60 3.12 0.00 96.87 0.23 0.16 2.57 95.62 1.42 0.00 0.00 0.00 15 F H H 112.64 3.13 14.24 18.28 92.65 50.49 -66.06 -39.34 8.38 0.01 91.61 0.26 0.28 7.84 89.78 1.83 0.01 0.00 0.00 16 L H H 97.01 2.06 15.33 17.22 92.43 50.43 -65.56 -40.38 7.72 0.01 92.27 0.44 0.41 6.47 91.39 1.27 0.01 0.00 0.00 17 L H H 95.59 1.88 15.31 16.87 92.16 50.46 -65.34 -41.12 2.63 0.01 97.36 0.70 0.30 1.39 97.02 0.58 0.00 0.00 0.00 18 V H H 74.02 3.42 14.11 18.65 92.39 50.15 -65.38 -40.46 1.28 0.01 98.72 0.33 0.11 0.69 98.35 0.51 0.00 0.00 0.00 19 T H H 74.71 2.96 14.91 18.55 92.47 50.36 -65.14 -40.82 0.99 0.00 99.01 0.18 0.07 0.61 98.60 0.53 0.00 0.00 0.00 20 L H H 97.92 1.82 15.81 17.16 92.33 49.80 -65.22 -41.20 0.88 0.00 99.12 0.14 0.06 0.56 98.82 0.42 0.00 0.00 0.00 21 F H H 117.60 2.07 15.67 17.58 92.24 49.44 -65.54 -40.87 0.76 0.00 99.24 0.12 0.05 0.47 99.13 0.23 0.00 0.00 0.00 22 G H H 31.36 3.82 13.95 19.29 92.18 51.37 -64.32 -40.91 1.15 0.00 98.85 0.14 0.07 0.79 98.76 0.24 0.00 0.00 0.00 23 Y H H 126.61 2.57 15.22 18.16 92.32 50.18 -65.36 -40.57 1.16 0.00 98.84 0.11 0.06 0.84 98.75 0.24 0.00 0.00 0.00 24 L H H 94.75 2.19 15.55 17.68 92.29 50.01 -65.10 -40.85 0.70 0.00 99.30 0.09 0.04 0.45 99.25 0.17 0.00 0.00 0.00 25 L H H 87.37 2.40 15.10 17.80 92.16 50.39 -64.70 -41.15 0.73 0.00 99.27 0.12 0.05 0.43 99.15 0.25 0.00 0.00 0.00 26 T H H 70.34 2.93 14.97 18.58 92.25 50.59 -65.01 -40.99 1.13 0.00 98.86 0.17 0.08 0.76 98.59 0.40 0.00 0.00 0.00 27 F H H 113.20 2.92 14.96 18.50 92.20 49.45 -65.23 -41.09 1.48 0.00 98.51 0.22 0.12 1.00 98.16 0.49 0.00 0.00 0.00 28 L H H 96.11 2.62 15.12 18.10 92.14 49.93 -65.11 -40.64 3.05 0.02 96.94 0.63 0.32 1.95 96.46 0.62 0.00 0.01 0.01 29 K H H 121.29 1.93 15.96 17.66 92.51 49.35 -65.91 -40.37 7.28 0.03 92.69 1.49 0.79 4.76 91.96 0.95 0.01 0.01 0.02 30 K H H 118.23 2.34 15.91 18.30 92.44 49.52 -66.04 -38.88 14.08 0.04 85.88 1.82 1.40 10.36 85.21 1.15 0.02 0.01 0.03 31 G H H 30.07 4.99 14.32 20.85 93.19 51.04 -64.27 -40.75 19.96 0.08 79.97 3.94 2.02 13.34 79.32 1.29 0.01 0.03 0.06 32 F H H 115.12 3.33 15.52 19.49 92.38 51.34 -65.27 -41.03 7.57 0.06 92.37 2.61 1.06 3.73 91.64 0.91 0.00 0.02 0.03 33 G H H 39.66 2.09 16.37 18.22 92.23 50.65 -64.48 -41.54 4.35 0.03 95.61 1.62 0.53 1.99 95.22 0.61 0.00 0.01 0.01 34 K H H 116.42 2.50 16.44 18.98 92.41 49.39 -65.75 -40.55 2.05 0.02 97.94 0.66 0.22 1.03 97.63 0.44 0.00 0.01 0.00 35 I H H 79.90 5.19 14.82 21.27 92.53 49.20 -65.53 -40.90 0.85 0.00 99.14 0.24 0.07 0.42 99.06 0.19 0.00 0.00 0.00 36 A H H 58.77 3.05 15.94 19.57 91.79 51.24 -63.72 -41.39 0.41 0.00 99.59 0.10 0.02 0.20 99.59 0.09 0.00 0.00 0.00 37 I H H 101.56 1.66 17.37 17.98 92.20 49.45 -64.96 -41.20 0.24 0.00 99.76 0.04 0.01 0.13 99.77 0.05 0.00 0.00 0.00 38 A H H 53.54 3.87 15.94 20.59 92.16 50.00 -64.50 -41.73 0.14 0.00 99.86 0.02 0.01 0.08 99.87 0.03 0.00 0.00 0.00 39 I H H 80.01 5.09 15.29 21.64 92.03 49.43 -65.11 -41.45 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 40 S H H 61.03 2.43 16.73 19.10 91.71 50.42 -64.21 -41.21 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 41 L H H 96.20 2.04 17.38 18.75 92.12 49.72 -65.03 -41.39 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 42 F H H 99.05 5.18 15.93 22.05 92.12 49.67 -65.46 -41.34 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 43 L H H 82.23 4.91 16.01 22.00 91.84 50.71 -64.25 -41.13 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 44 A H H 62.61 2.00 17.67 18.93 91.83 50.33 -64.48 -41.06 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 45 L H H 89.30 3.23 17.45 20.78 92.22 50.03 -65.21 -41.39 0.18 0.00 99.82 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 46 I H H 70.22 7.23 15.60 24.12 92.20 49.86 -64.89 -41.71 0.24 0.00 99.76 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 47 I H H 90.83 3.69 17.69 21.70 92.03 50.01 -64.61 -41.51 0.31 0.00 99.69 0.04 0.02 0.19 99.72 0.04 0.00 0.00 0.00 48 G H H 37.75 2.36 18.26 20.11 92.06 50.54 -64.37 -41.60 0.52 0.00 99.47 0.08 0.03 0.32 99.51 0.06 0.00 0.00 0.00 49 L H H 74.17 5.79 16.93 23.46 92.25 49.56 -65.21 -41.41 0.49 0.00 99.51 0.06 0.03 0.30 99.53 0.07 0.00 0.00 0.00 50 N H H 68.65 7.36 16.14 24.60 92.04 50.77 -64.42 -40.89 0.59 0.00 99.41 0.08 0.03 0.35 99.43 0.09 0.00 0.00 0.00 51 S H H 64.27 2.49 18.32 20.36 91.91 50.65 -64.55 -40.54 0.85 0.00 99.15 0.11 0.05 0.56 99.15 0.13 0.00 0.00 0.00 52 I H H 92.70 2.83 18.01 20.64 92.24 49.89 -65.10 -41.58 1.04 0.00 98.96 0.13 0.07 0.69 98.93 0.18 0.00 0.00 0.00 53 L H H 65.93 7.48 15.90 24.47 92.29 49.76 -65.02 -41.45 1.10 0.00 98.89 0.18 0.08 0.69 98.73 0.31 0.00 0.00 0.00 54 V H H 73.20 5.47 16.31 22.84 92.07 50.23 -64.27 -41.04 1.56 0.01 98.43 0.20 0.11 1.09 97.79 0.80 0.00 0.00 0.00 55 G H H 38.18 2.44 17.10 19.42 92.37 51.10 -64.24 -40.95 4.15 0.02 95.83 0.39 0.26 3.25 94.68 1.41 0.01 0.01 0.00 56 Y H H 118.94 3.76 16.33 20.58 92.48 49.44 -65.55 -40.76 6.41 0.03 93.55 0.73 0.53 4.85 91.77 2.06 0.02 0.01 0.01 57 L H H 72.32 6.84 14.19 22.38 92.84 49.94 -65.96 -38.71 9.06 0.12 90.81 1.83 1.17 6.07 86.93 3.84 0.05 0.06 0.05 58 S H H 61.05 3.77 14.84 19.54 92.75 54.22 -65.70 -36.75 20.23 0.21 79.56 3.99 2.53 13.83 73.17 6.23 0.05 0.10 0.11 59 D H H 93.25 2.42 14.69 17.58 93.49 53.60 -69.84 -30.52 30.16 0.32 69.52 7.21 3.89 19.45 60.74 8.33 0.05 0.16 0.17 60 I H H 95.09 5.16 12.63 19.05 95.05 54.86 -73.05 -28.49 33.45 1.72 64.83 14.59 6.49 13.97 52.83 10.37 0.08 1.08 0.59 61 S H H 67.05 5.43 11.82 18.62 97.46 63.26 -79.76 -14.37 43.02 4.41 52.57 22.78 7.19 14.67 40.46 10.57 0.10 2.80 1.44 62 A C C 76.50 3.25 11.56 16.39 103.78 81.25 -80.62 34.44 61.98 4.37 33.65 28.61 12.28 22.23 22.61 9.84 0.08 2.94 1.40 63 Q C C 137.65 1.87 12.06 14.94 104.07 55.31 -90.34 38.96 75.27 4.82 19.91 40.79 14.27 20.78 12.04 7.29 0.03 3.10 1.70 64 L C C 78.78 8.43 8.07 17.78 118.95 104.25 -94.48 139.64 96.68 2.55 0.76 55.43 40.64 0.90 0.53 0.21 0.00 1.42 0.87 65 P C C 77.44 3.25 12.36 16.93 113.19 -103.92 -65.81 148.58 97.33 0.52 2.15 92.16 3.50 1.89 1.47 0.50 0.00 0.31 0.18 66 S H H 79.84 3.24 10.70 15.47 94.86 -111.86 -62.67 -30.30 46.93 0.20 52.87 8.74 8.22 29.80 42.60 10.35 0.04 0.08 0.17 67 D H H 110.54 1.48 11.88 13.68 95.00 58.91 -70.28 -28.46 36.04 0.21 63.75 5.19 4.79 25.43 54.12 10.15 0.08 0.10 0.15 68 F H H 121.67 2.93 11.96 15.95 95.52 55.01 -69.76 -33.41 22.11 0.33 77.56 6.40 3.80 12.14 65.14 12.12 0.06 0.18 0.16 69 V H H 66.66 6.09 11.37 19.21 93.76 53.07 -66.22 -39.21 15.91 0.36 83.73 6.25 2.82 7.83 75.09 7.59 0.05 0.20 0.17 70 Q H H 103.10 2.94 14.02 17.79 92.98 51.94 -65.23 -39.91 12.65 0.25 87.10 3.20 2.03 7.79 78.95 7.70 0.09 0.14 0.12 71 G H H 37.47 2.51 14.23 17.40 92.56 51.54 -64.67 -40.41 11.22 0.10 88.68 2.03 1.27 7.66 79.62 9.27 0.04 0.06 0.04 72 V H H 72.40 5.05 13.13 19.72 92.77 50.96 -66.53 -37.63 5.93 0.05 94.02 0.75 0.57 4.26 81.17 13.18 0.02 0.03 0.02 73 Q H H 89.24 7.12 11.99 20.59 92.42 55.70 -66.62 -31.59 8.80 0.06 91.14 0.72 0.61 6.78 74.64 17.16 0.03 0.04 0.02 74 L H H 120.34 1.94 13.98 16.41 92.84 56.92 -72.81 -27.00 24.01 0.08 75.91 0.87 1.33 21.09 63.31 13.20 0.10 0.04 0.06 75 I H H 122.25 2.17 13.85 16.28 98.90 43.89 -92.85 -16.67 35.42 0.25 64.33 1.63 4.52 29.48 57.55 6.22 0.29 0.10 0.21 76 L C S 76.12 8.77 10.08 20.20 117.02 75.43 -100.21 132.09 98.42 0.55 1.03 17.79 79.36 1.27 0.83 0.15 0.00 0.14 0.45 77 P C C 67.46 6.41 13.20 21.31 114.31 -107.30 -66.67 151.42 93.86 0.46 5.68 78.17 5.77 9.79 1.85 3.89 0.00 0.21 0.32 78 S C T 83.64 4.01 14.27 19.61 96.78 -108.86 -67.34 -15.58 87.95 0.34 11.71 7.25 17.74 63.10 3.60 7.85 0.00 0.15 0.32 79 N C T 81.49 6.77 14.99 22.79 100.79 63.07 -95.08 24.53 86.77 0.30 12.93 20.43 10.85 55.63 5.52 7.17 0.00 0.12 0.27 80 A H H 37.18 13.06 12.74 26.39 93.80 110.37 -63.91 -38.24 18.12 0.22 81.66 10.77 5.04 3.37 78.49 2.15 0.00 0.06 0.13 81 L H H 91.79 4.28 18.60 23.40 92.13 54.11 -63.52 -41.86 1.91 0.00 98.09 0.47 0.24 0.97 97.87 0.46 0.00 0.00 0.00 82 P H H 59.80 4.92 19.24 24.99 91.57 50.03 -64.79 -40.33 0.83 0.00 99.17 0.20 0.07 0.44 98.81 0.47 0.00 0.00 0.00 83 C H H 25.08 14.30 15.67 30.67 91.91 51.04 -64.54 -42.15 0.25 0.00 99.75 0.05 0.02 0.12 99.56 0.24 0.00 0.00 0.00 84 F H H 81.45 9.56 19.29 29.45 91.90 50.04 -64.28 -41.66 0.10 0.00 99.90 0.01 0.00 0.05 99.88 0.04 0.00 0.00 0.00 85 Y H H 123.84 3.49 22.15 25.02 91.79 50.36 -64.53 -41.47 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 86 V H H 46.83 9.72 19.37 29.91 91.94 50.61 -64.27 -42.53 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 87 I H H 44.93 14.42 18.60 32.94 91.77 49.49 -63.94 -42.35 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 88 L H H 79.09 5.54 21.70 27.32 91.65 49.32 -63.82 -41.71 0.19 0.00 99.81 0.01 0.01 0.13 99.82 0.02 0.00 0.00 0.00 89 S H H 52.87 4.29 21.72 25.90 91.62 49.96 -64.48 -41.49 0.84 0.00 99.16 0.06 0.04 0.63 99.23 0.04 0.00 0.00 0.00 90 V H H 32.57 13.44 17.87 31.83 91.97 50.18 -64.74 -41.74 0.25 0.00 99.75 0.04 0.02 0.13 99.78 0.02 0.00 0.00 0.00 91 K H H 82.75 10.77 20.09 30.98 91.71 51.29 -62.82 -41.51 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 92 A H H 57.92 3.44 22.11 24.36 91.49 50.22 -63.85 -41.72 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 93 A H H 41.11 6.66 19.69 27.30 91.63 50.12 -64.46 -41.66 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 94 I H H 43.12 12.82 17.10 30.46 91.81 50.56 -64.18 -41.90 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 95 F H H 97.01 5.42 19.47 25.48 91.62 50.35 -63.89 -41.76 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 96 I H H 91.27 2.79 19.84 21.87 91.58 49.91 -64.16 -42.34 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 97 F H H 76.08 7.46 17.13 25.70 91.92 49.39 -65.01 -41.33 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 98 D H H 57.36 8.43 16.17 25.75 92.07 50.81 -64.23 -40.73 0.74 0.00 99.26 0.09 0.04 0.50 99.30 0.07 0.00 0.00 0.00 99 V H H 78.14 3.13 17.82 20.77 91.77 49.92 -64.48 -41.48 0.94 0.00 99.06 0.14 0.07 0.62 99.06 0.11 0.00 0.00 0.00 100 K H H 109.59 3.12 17.49 20.89 92.10 50.26 -65.12 -40.87 1.24 0.01 98.76 0.23 0.10 0.82 98.62 0.23 0.00 0.00 0.00 101 Q H H 73.49 7.22 15.07 23.55 92.24 50.50 -65.46 -40.18 1.41 0.01 98.57 0.32 0.12 0.90 98.27 0.37 0.00 0.01 0.00 102 K H H 107.80 3.92 16.16 21.01 92.15 51.08 -64.27 -41.03 1.95 0.01 98.04 0.33 0.16 1.34 97.53 0.63 0.00 0.01 0.00 103 I H H 94.93 2.23 16.53 18.45 92.09 49.40 -65.18 -41.66 2.89 0.04 97.07 0.49 0.26 1.96 96.32 0.92 0.00 0.02 0.01 104 V H H 71.92 3.54 14.79 19.39 92.39 49.52 -65.48 -40.85 4.68 0.06 95.26 0.95 0.49 3.05 92.88 2.58 0.01 0.04 0.02 105 S H H 52.11 4.88 13.33 19.79 92.58 51.80 -65.61 -38.67 14.39 0.07 85.54 1.95 1.16 10.76 82.71 3.34 0.02 0.04 0.03 106 Y H H 135.76 2.39 13.51 16.44 93.86 50.61 -68.43 -35.09 21.69 0.13 78.17 4.77 2.70 14.01 73.46 4.89 0.03 0.06 0.07 107 L H H 96.62 2.68 12.33 15.95 94.19 55.38 -69.72 -33.45 28.60 0.42 70.98 9.45 5.39 14.70 64.11 5.88 0.05 0.19 0.22 108 D H H 90.18 3.41 10.76 15.50 96.95 53.52 -76.65 -17.39 43.66 0.47 55.87 16.08 5.36 23.11 48.82 6.10 0.03 0.22 0.29 109 W C H 165.30 3.32 8.90 13.87 99.14 65.28 -77.03 -15.42 55.57 0.62 43.81 19.11 8.74 28.96 35.55 6.92 0.03 0.27 0.42 110 D C C 115.07 1.62 9.40 12.14 100.72 62.24 -83.82 19.46 74.23 0.35 25.42 44.15 1.83 28.18 22.57 2.89 0.00 0.15 0.23 111 K C C 144.71 2.62 10.21 14.41 104.06 113.71 -83.32 34.53 99.95 0.01 0.04 99.83 0.06 0.08 0.03 0.00 0.00 0.00 0.00