# 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 93.98 8.68 11.91 21.62 115.43 -151.77 -94.12 131.16 99.95 0.03 0.02 99.88 0.06 0.04 0.01 0.00 0.00 0.01 0.00 1 A C C 66.51 4.42 12.04 17.90 110.52 -139.48 -80.59 146.54 86.62 1.03 12.36 80.74 1.03 5.13 10.84 1.27 0.00 0.45 0.53 2 F C C 128.07 4.92 11.14 17.55 100.86 -105.75 -73.85 -27.20 63.79 1.88 34.32 41.53 11.83 10.36 30.51 3.99 0.01 0.79 0.98 3 A H H 54.83 7.71 11.75 20.73 99.97 56.75 -73.08 -28.65 44.26 0.91 54.83 24.47 9.93 11.57 47.09 6.07 0.02 0.41 0.43 4 E H H 94.43 7.01 13.64 21.84 100.12 57.45 -75.46 -23.67 38.70 0.76 60.54 21.74 7.78 10.80 52.97 5.97 0.02 0.35 0.36 5 D H H 73.09 6.64 14.05 21.97 97.43 65.36 -70.25 -34.37 27.58 0.37 72.04 16.88 5.11 6.51 67.13 4.02 0.01 0.17 0.17 6 K H H 114.61 4.04 17.53 22.20 93.40 58.97 -66.42 -36.42 15.39 0.19 84.41 6.47 2.96 6.77 80.84 2.76 0.02 0.08 0.09 7 T H H 29.05 14.72 16.03 31.06 92.74 52.10 -65.82 -41.28 12.84 0.18 86.97 4.90 1.97 6.43 84.16 2.34 0.01 0.09 0.08 8 Y H H 61.20 14.27 16.80 31.22 92.15 51.95 -64.40 -40.46 7.35 0.09 92.57 3.51 1.17 2.83 90.86 1.55 0.00 0.04 0.03 9 K H H 109.36 3.48 21.26 24.60 91.97 51.52 -64.53 -40.70 4.75 0.06 95.19 2.35 0.62 1.89 93.64 1.44 0.00 0.03 0.02 10 Y H H 58.78 9.40 19.17 29.97 92.04 50.52 -64.14 -42.71 3.28 0.04 96.68 1.12 0.43 1.72 94.82 1.86 0.01 0.03 0.01 11 I H H 9.92 22.53 15.73 38.03 92.21 49.10 -65.04 -41.87 3.05 0.03 96.92 0.79 0.37 1.79 94.77 2.24 0.01 0.02 0.01 12 C H H 49.29 11.85 17.98 30.22 91.87 51.74 -64.93 -35.79 6.07 0.04 93.90 1.00 0.59 4.28 90.08 4.01 0.01 0.02 0.02 13 R H H 154.08 2.19 20.95 22.66 92.12 54.00 -69.67 -27.83 18.66 0.03 81.31 0.96 1.09 16.51 77.46 3.92 0.02 0.01 0.02 14 N H H 41.02 13.85 15.27 29.75 98.84 43.25 -100.29 -0.10 46.23 0.10 53.67 4.59 3.01 37.80 48.17 6.28 0.02 0.04 0.09 15 F H G 49.78 20.21 12.66 31.71 93.23 100.94 -61.26 -34.54 17.50 0.22 82.28 5.49 2.06 9.44 12.30 70.51 0.00 0.14 0.06 16 S H G 79.31 3.32 19.42 23.59 91.52 62.84 -69.67 -18.01 18.54 0.19 81.27 2.59 1.91 12.89 9.49 72.94 0.00 0.12 0.04 17 N H G 85.04 7.33 19.04 27.04 96.18 57.55 -92.01 -3.94 19.76 0.53 79.72 4.48 2.83 11.85 7.23 73.14 0.00 0.38 0.09 18 F C C 21.74 23.48 11.21 33.70 114.19 96.69 -87.54 125.18 56.63 27.78 15.59 45.35 6.82 4.21 6.33 9.89 0.02 21.77 5.61 19 C C C 56.90 9.45 20.43 30.25 118.39 167.83 -111.73 151.98 66.07 29.60 4.33 45.61 14.93 6.77 1.92 2.37 0.01 26.30 2.08 20 N C E 101.47 5.73 22.05 28.34 104.56 11.37 -85.94 79.43 55.12 42.16 2.72 36.97 11.89 7.32 0.89 1.77 0.00 39.56 1.59 21 V C C 17.38 21.82 13.03 34.51 118.90 163.07 -109.06 129.54 59.81 39.70 0.49 56.89 2.83 0.26 0.33 0.23 0.00 36.12 3.35 22 D C C 66.11 6.04 24.99 31.42 108.44 -140.68 -91.54 112.68 77.03 22.69 0.28 78.07 0.43 0.11 0.14 0.07 0.00 19.38 1.79 23 V H H 7.66 25.26 13.50 39.15 92.75 -159.34 -63.56 -35.37 13.48 0.21 86.30 5.55 1.45 5.86 43.65 43.29 0.00 0.15 0.05 24 V H G 68.63 11.95 18.71 30.73 91.32 61.53 -64.56 -30.76 4.61 0.02 95.37 0.36 0.30 3.54 42.94 52.84 0.00 0.02 0.00 25 E H G 113.23 3.82 22.10 25.91 92.64 54.31 -74.18 -25.67 4.05 0.01 95.94 0.21 0.22 3.42 40.68 55.47 0.00 0.01 0.00 26 I H G 15.63 20.11 15.59 35.64 98.05 44.69 -91.57 -19.52 17.32 0.03 82.65 1.31 1.40 12.54 41.39 43.33 0.00 0.02 0.02 27 L H G 15.50 22.64 13.71 35.86 92.32 82.61 -61.08 -36.92 8.57 0.04 91.38 1.19 0.75 5.32 4.79 87.90 0.00 0.03 0.01 28 P H G 85.51 5.52 19.85 26.35 90.84 63.34 -67.51 -19.76 9.79 0.04 90.17 0.55 0.55 7.19 2.05 89.64 0.00 0.02 0.00 29 Y H G 119.20 7.83 18.51 27.07 96.21 52.84 -94.07 -3.11 12.39 0.06 87.55 1.24 1.03 7.39 1.09 89.20 0.00 0.03 0.00 30 L C C 15.51 22.96 9.79 31.94 110.45 102.40 -81.79 119.68 98.54 0.54 0.92 58.26 38.66 1.29 0.23 0.70 0.00 0.14 0.73 31 P C T 99.99 3.10 20.56 24.16 94.23 -153.89 -69.12 -19.22 99.24 0.13 0.63 2.54 8.73 87.83 0.04 0.72 0.00 0.08 0.06 32 C C T 42.81 13.32 16.58 30.43 95.69 56.89 -90.06 -3.13 99.34 0.09 0.57 3.91 7.37 87.94 0.05 0.63 0.00 0.06 0.04 33 L C C 14.66 23.34 9.49 31.88 116.74 102.53 -84.07 133.36 98.96 0.84 0.19 70.33 27.99 0.22 0.10 0.06 0.00 0.15 1.14 34 T C C 60.04 4.26 19.42 23.86 124.40 -138.86 -84.55 167.37 99.82 0.11 0.07 99.41 0.41 0.05 0.03 0.01 0.00 0.02 0.07 35 A H H 84.28 2.54 15.31 19.14 90.99 -100.58 -58.28 -37.88 2.37 0.00 97.62 0.54 0.45 1.15 97.53 0.32 0.00 0.00 0.00 36 R H H 157.13 1.34 18.44 18.58 91.66 51.89 -64.62 -40.72 1.51 0.00 98.49 0.24 0.16 0.93 98.26 0.40 0.00 0.00 0.00 37 D H H 24.46 15.42 14.58 30.55 92.24 48.94 -66.09 -40.51 0.87 0.00 99.13 0.26 0.08 0.42 98.85 0.39 0.00 0.00 0.00 38 Q H H 45.14 16.01 15.53 31.38 91.57 52.43 -62.38 -42.15 0.26 0.00 99.74 0.05 0.02 0.11 99.75 0.07 0.00 0.00 0.00 39 D H H 87.44 1.84 23.40 23.21 91.62 50.10 -64.29 -41.23 0.28 0.00 99.72 0.05 0.02 0.13 99.78 0.03 0.00 0.00 0.00 40 R H H 113.69 5.17 22.55 27.97 91.58 48.93 -64.72 -41.54 0.31 0.00 99.69 0.04 0.02 0.17 99.74 0.03 0.00 0.00 0.00 41 L H H 4.53 24.29 14.90 39.57 91.41 50.18 -63.48 -43.08 0.40 0.00 99.59 0.06 0.03 0.21 99.67 0.03 0.00 0.00 0.00 42 R H H 111.13 8.72 22.42 31.40 91.68 50.69 -62.84 -41.65 0.79 0.00 99.20 0.13 0.07 0.42 99.33 0.06 0.00 0.00 0.00 43 A H H 51.60 2.37 22.77 23.76 91.51 50.11 -63.41 -42.36 2.41 0.01 97.57 0.34 0.21 1.57 97.71 0.16 0.00 0.00 0.00 44 T H H 27.13 10.97 17.40 29.94 92.21 48.55 -65.28 -41.15 2.75 0.03 97.21 0.58 0.43 1.52 97.26 0.17 0.00 0.01 0.01 45 C H H 24.58 17.10 12.57 29.47 92.21 51.43 -64.53 -40.91 2.81 0.03 97.16 0.80 0.45 1.32 97.19 0.22 0.00 0.01 0.01 46 T H H 105.60 1.53 17.75 18.94 93.39 46.88 -68.54 -37.51 3.79 0.02 96.18 0.50 0.45 2.66 96.07 0.28 0.01 0.01 0.01 47 L H H 124.54 1.30 16.99 17.33 98.82 36.26 -82.54 -38.47 7.86 0.02 92.12 0.31 0.90 6.45 92.02 0.28 0.02 0.01 0.01 48 S H H 57.81 6.22 14.13 21.61 103.03 21.56 -109.15 -13.58 18.31 0.11 81.59 1.51 5.25 11.12 81.68 0.30 0.04 0.02 0.08 49 G C C 22.23 4.81 19.36 25.61 127.54 -112.79 96.96 171.56 89.80 0.21 9.99 83.84 2.87 1.83 10.85 0.41 0.00 0.05 0.15 50 N H H 46.30 18.64 14.55 32.37 92.08 -77.33 -61.76 -37.27 4.96 0.02 95.01 1.29 1.19 2.38 94.40 0.71 0.00 0.01 0.01 51 R H H 119.94 9.07 21.69 31.19 91.56 53.38 -63.47 -41.46 2.27 0.01 97.72 0.30 0.24 1.55 97.35 0.55 0.00 0.00 0.00 52 D H H 64.37 5.56 24.24 30.00 91.69 48.47 -65.88 -40.24 1.63 0.01 98.37 0.32 0.14 0.98 97.94 0.61 0.00 0.00 0.00 53 T H H 7.05 19.40 18.67 38.70 91.51 51.14 -63.71 -43.00 0.42 0.00 99.58 0.08 0.03 0.21 99.50 0.18 0.00 0.00 0.00 54 L H H 9.24 22.64 20.86 42.90 91.48 50.95 -63.29 -43.03 0.13 0.00 99.87 0.01 0.00 0.07 99.81 0.10 0.00 0.00 0.00 55 W H H 97.01 10.28 24.91 35.24 91.50 50.64 -63.76 -42.14 0.09 0.00 99.91 0.00 0.00 0.06 99.79 0.13 0.00 0.00 0.00 56 H H H 62.24 10.27 25.10 35.70 91.80 49.46 -65.00 -42.06 0.12 0.00 99.88 0.01 0.00 0.10 99.66 0.23 0.00 0.00 0.00 57 L H H 2.47 25.81 20.42 46.30 91.59 49.66 -63.78 -43.70 0.31 0.00 99.69 0.01 0.01 0.27 98.94 0.76 0.00 0.00 0.00 58 F H H 15.12 22.86 20.82 42.79 91.56 49.60 -64.85 -39.01 0.91 0.00 99.09 0.03 0.03 0.87 96.26 2.81 0.00 0.00 0.00 59 N H H 84.75 6.41 24.59 31.42 91.59 52.96 -70.29 -28.25 11.11 0.00 88.89 0.13 0.22 11.68 84.91 3.05 0.00 0.00 0.00 60 T H H 34.44 13.80 20.91 34.98 96.67 46.64 -88.10 -17.45 32.00 0.03 67.98 0.73 1.33 30.01 64.80 3.07 0.02 0.01 0.02 61 L C C 5.41 25.98 14.00 39.97 106.52 86.76 -75.17 111.46 72.09 7.85 20.06 45.73 15.90 9.47 17.01 3.40 0.09 2.74 5.66 62 Q C C 83.01 11.07 21.13 31.77 107.27 75.92 -85.02 60.62 87.87 5.56 6.57 70.20 6.69 10.22 4.70 2.17 0.00 3.19 2.83 63 R C C 127.51 9.70 18.16 27.96 103.84 43.40 -85.12 56.93 93.97 2.98 3.06 70.89 14.45 8.40 1.40 1.64 0.00 1.47 1.74 64 R C C 79.01 12.17 13.11 26.06 123.46 122.00 -102.93 145.71 98.94 0.75 0.31 86.03 12.22 0.48 0.21 0.08 0.00 0.20 0.78 65 P C T 110.39 2.13 17.14 19.96 110.52 -93.58 -62.37 137.17 98.66 0.14 1.20 1.68 5.30 92.01 0.51 0.36 0.00 0.06 0.08 66 G C T 37.40 6.11 17.85 25.31 94.40 19.97 84.19 -2.74 98.50 0.03 1.47 3.24 3.04 92.58 0.81 0.30 0.00 0.01 0.02 67 W H H 17.96 20.24 15.03 36.08 93.07 124.54 -63.23 -40.22 7.69 0.02 92.29 5.48 0.71 1.67 91.40 0.73 0.00 0.01 0.02 68 V H H 16.35 21.53 18.22 39.00 91.92 52.35 -63.18 -41.45 0.90 0.00 99.09 0.22 0.05 0.45 99.09 0.19 0.00 0.00 0.00 69 E H H 107.95 4.91 24.53 29.98 91.58 51.58 -64.31 -40.50 0.10 0.00 99.90 0.01 0.00 0.05 99.84 0.09 0.00 0.00 0.00 70 Y H H 77.56 10.96 23.45 34.40 92.03 49.14 -65.78 -41.56 0.03 0.00 99.97 0.00 0.00 0.01 99.95 0.03 0.00 0.00 0.00 71 F H H 2.55 26.43 20.40 46.96 91.73 49.03 -64.37 -43.68 0.02 0.00 99.98 0.00 0.00 0.01 99.97 0.01 0.00 0.00 0.00 72 I H H 14.92 19.50 22.29 41.42 91.20 49.68 -63.18 -43.06 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 73 A H H 52.66 4.00 27.14 31.11 91.34 50.53 -63.39 -41.93 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 74 A H H 7.54 15.94 20.69 37.84 91.44 50.77 -63.10 -43.23 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 75 L H H 4.47 23.65 17.04 41.00 91.50 49.88 -63.81 -41.89 0.16 0.00 99.84 0.01 0.00 0.12 99.80 0.07 0.00 0.00 0.00 76 R H H 114.55 8.22 19.76 28.63 91.64 51.16 -63.68 -40.63 1.22 0.00 98.78 0.04 0.04 1.09 98.66 0.18 0.00 0.00 0.00 77 G H H 46.87 3.78 19.62 24.01 90.66 55.22 -66.06 -27.04 11.09 0.00 88.91 0.13 0.28 11.22 88.11 0.25 0.01 0.00 0.00 78 C C T 35.19 13.74 13.53 28.09 96.07 49.68 -96.40 8.82 96.04 0.01 3.95 0.17 1.94 93.95 3.76 0.18 0.00 0.00 0.01 79 E C T 152.55 1.79 19.82 21.41 94.33 -114.35 61.11 33.73 99.58 0.00 0.41 0.40 1.91 97.40 0.25 0.05 0.00 0.00 0.00 80 L C C 28.86 16.21 11.78 28.76 103.38 129.49 -108.54 53.50 99.52 0.12 0.36 99.08 0.36 0.22 0.19 0.04 0.00 0.03 0.08 81 V H H 79.89 7.64 15.89 25.34 93.93 151.43 -63.94 -37.41 5.89 0.01 94.10 2.36 0.57 2.74 93.12 1.20 0.00 0.00 0.00 82 D H H 102.97 1.60 22.85 22.95 91.71 53.46 -64.26 -39.37 3.28 0.00 96.72 0.23 0.24 2.69 95.12 1.71 0.00 0.00 0.00 83 L H H 22.30 15.83 18.90 35.08 92.40 49.11 -65.71 -41.65 1.18 0.00 98.81 0.16 0.07 0.83 97.52 1.42 0.00 0.00 0.00 84 A H H 6.15 21.03 15.38 36.79 90.89 52.31 -61.79 -43.40 0.17 0.00 99.82 0.02 0.01 0.09 99.71 0.16 0.00 0.00 0.00 85 D H H 91.25 2.53 24.61 26.39 91.30 50.15 -63.71 -40.99 0.16 0.00 99.84 0.01 0.00 0.11 99.78 0.09 0.00 0.00 0.00 86 E H H 87.53 5.28 23.32 28.76 91.69 49.92 -64.20 -42.30 0.37 0.00 99.63 0.01 0.00 0.34 99.56 0.09 0.00 0.00 0.00 87 V H H 6.19 22.94 16.91 39.93 91.92 48.28 -65.55 -42.30 1.09 0.00 98.90 0.03 0.02 0.98 98.89 0.08 0.00 0.00 0.00 88 A H H 32.73 13.02 19.28 32.59 91.46 52.97 -61.98 -41.86 0.38 0.00 99.62 0.04 0.02 0.20 99.70 0.04 0.00 0.00 0.00 89 S H H 62.26 1.81 23.20 22.80 91.72 50.64 -64.06 -41.16 0.32 0.00 99.68 0.03 0.01 0.19 99.71 0.06 0.00 0.00 0.00 90 V H H 40.99 9.60 18.59 29.52 92.00 48.97 -65.14 -42.08 0.26 0.00 99.74 0.03 0.01 0.16 99.72 0.09 0.00 0.00 0.00 91 Y H H 24.87 19.95 12.72 32.44 91.72 50.62 -64.06 -41.82 0.37 0.00 99.63 0.04 0.02 0.24 99.44 0.26 0.00 0.00 0.00 92 Q H H 119.25 3.32 17.36 21.67 91.28 52.06 -64.54 -34.78 2.00 0.00 98.00 0.09 0.07 1.78 96.50 1.57 0.00 0.00 0.00 93 S H H 82.27 1.61 16.87 18.04 92.11 54.94 -71.45 -22.89 15.71 0.00 84.28 0.24 0.37 15.94 81.63 1.81 0.00 0.00 0.00 94 Y H H 84.28 12.00 11.57 24.14 99.19 48.00 -99.03 -1.79 48.77 0.07 51.16 3.04 3.43 41.04 49.53 2.85 0.02 0.02 0.08 95 Q C C 80.50 11.03 10.10 21.91 114.86 108.18 -80.97 135.62 99.81 0.13 0.06 94.49 5.01 0.32 0.03 0.02 0.00 0.04 0.10 96 P C C 91.50 4.53 14.59 20.54 108.73 -100.85 -67.56 142.12 99.98 0.01 0.00 99.90 0.07 0.03 0.00 0.00 0.00 0.00 0.00