# 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 98.33 8.27 12.13 21.60 116.57 -127.25 -90.32 135.24 99.99 0.01 0.00 99.93 0.05 0.01 0.00 0.00 0.00 0.00 0.00 1 P C C 84.31 5.45 10.99 18.26 112.77 -109.21 -66.76 147.97 95.52 0.42 4.06 93.77 0.43 2.56 2.02 0.84 0.00 0.18 0.21 2 R C C 165.13 3.11 10.46 15.50 111.04 -127.44 -86.19 128.49 87.30 3.29 9.41 68.87 10.37 7.89 5.44 3.78 0.00 1.57 2.09 3 S C C 72.07 4.90 10.35 16.94 114.79 -137.92 -94.48 133.88 83.01 3.87 13.12 64.65 11.25 6.85 8.70 4.60 0.00 2.14 1.81 4 V C C 90.41 6.55 10.92 18.86 105.02 -158.35 -92.93 8.59 72.96 2.47 24.57 47.30 15.24 9.76 21.27 4.14 0.01 1.19 1.09 5 N C C 94.21 5.68 12.16 19.21 107.35 60.33 -91.42 66.48 74.01 1.06 24.93 43.41 18.31 11.26 22.86 3.19 0.00 0.42 0.55 6 S C H 51.89 5.58 12.15 19.34 112.28 -148.32 -81.56 154.03 57.85 0.66 41.50 38.17 12.99 5.42 41.19 1.70 0.00 0.22 0.32 7 V H H 97.58 3.05 13.49 17.55 94.15 -103.70 -63.38 -37.28 8.59 0.08 91.33 3.94 1.83 2.97 90.05 1.14 0.01 0.03 0.03 8 A H H 59.70 2.98 15.07 18.72 92.55 51.70 -65.32 -40.77 5.06 0.05 94.89 2.05 0.80 2.28 93.67 1.14 0.01 0.02 0.02 9 K H H 82.28 7.90 14.61 23.74 92.59 49.52 -66.12 -40.01 3.41 0.03 96.55 1.47 0.48 1.53 95.49 0.99 0.00 0.02 0.01 10 R H H 103.95 7.11 15.85 24.14 92.15 51.16 -64.60 -40.83 1.99 0.01 98.00 0.74 0.25 0.89 97.68 0.43 0.00 0.00 0.00 11 A H H 53.11 2.89 18.50 21.29 91.76 50.63 -63.94 -41.45 1.39 0.01 98.60 0.44 0.13 0.64 98.55 0.23 0.00 0.00 0.00 12 R H H 108.92 5.77 18.60 25.14 91.98 49.86 -65.42 -40.87 1.08 0.00 98.91 0.29 0.09 0.54 98.89 0.18 0.00 0.00 0.00 13 R H H 71.44 13.65 16.06 29.80 92.09 51.07 -64.01 -40.97 0.71 0.00 99.29 0.17 0.06 0.35 99.31 0.12 0.00 0.00 0.00 14 K H H 105.63 4.64 19.97 25.10 91.95 50.97 -64.38 -40.52 0.56 0.00 99.44 0.12 0.04 0.27 99.47 0.09 0.00 0.00 0.00 15 K H H 108.68 2.84 21.15 23.19 91.82 50.21 -64.59 -41.25 0.68 0.00 99.32 0.13 0.05 0.36 99.34 0.12 0.00 0.00 0.00 16 I H H 32.19 13.04 16.70 30.84 92.09 49.62 -64.71 -42.46 0.60 0.00 99.40 0.10 0.05 0.36 99.31 0.19 0.00 0.00 0.00 17 M H H 53.59 13.39 16.13 29.90 91.96 50.89 -63.81 -40.21 0.91 0.00 99.08 0.12 0.07 0.61 98.58 0.63 0.00 0.00 0.00 18 K H H 132.02 2.12 20.96 22.28 91.90 51.22 -64.69 -38.91 4.04 0.00 95.95 0.23 0.20 3.42 94.76 1.38 0.01 0.00 0.00 19 Q H H 100.42 4.55 18.29 23.41 92.34 51.32 -70.16 -29.28 12.15 0.01 87.84 0.42 0.63 10.94 86.29 1.69 0.01 0.00 0.01 20 A H H 16.10 18.12 10.64 28.58 95.55 55.64 -83.99 -8.30 44.86 0.16 54.99 7.66 5.35 31.79 49.43 5.55 0.03 0.05 0.15 21 K C T 136.97 4.70 15.11 22.08 106.09 116.00 -63.55 117.08 67.46 0.23 32.31 3.63 3.33 60.57 11.13 21.00 0.00 0.11 0.22 22 G C T 60.69 1.37 16.61 17.50 96.24 25.72 75.13 -1.37 72.29 0.16 27.55 3.59 4.73 63.51 5.45 22.51 0.00 0.08 0.14 23 F C C 88.82 11.58 10.95 22.97 107.42 100.65 -90.79 61.05 77.29 1.37 21.35 49.03 13.34 13.76 3.78 18.62 0.00 0.63 0.84 24 F C C 123.73 6.40 12.89 20.91 116.49 122.93 -100.37 134.35 88.54 4.20 7.26 59.99 13.65 14.75 2.69 4.29 0.00 1.76 2.86 25 G C C 42.39 5.46 13.10 20.06 122.75 44.66 -117.15 169.94 91.71 2.58 5.72 45.89 26.09 19.90 1.38 4.28 0.00 1.26 1.19 26 R C C 163.63 3.17 12.60 17.32 112.44 -89.31 -90.47 129.73 90.45 2.62 6.93 58.04 21.58 10.61 2.38 4.59 0.00 1.16 1.63 27 R C C 141.45 4.99 10.34 17.18 108.73 -141.88 -84.29 125.47 75.09 1.88 23.03 47.42 16.72 10.91 10.99 11.91 0.00 0.78 1.26 28 K C T 161.92 1.38 13.00 14.69 98.20 -118.94 -69.75 -26.06 67.93 0.51 31.55 11.11 15.80 41.38 16.39 14.65 0.03 0.23 0.40 29 N C T 96.22 3.92 13.17 18.24 101.58 39.77 -93.31 28.66 67.53 0.72 31.75 21.75 10.37 35.67 18.78 12.59 0.02 0.32 0.51 30 V H H 51.79 10.50 11.79 23.51 96.19 114.02 -67.74 -35.86 21.16 0.41 78.43 14.24 4.55 3.75 75.14 1.99 0.01 0.15 0.18 31 W H H 123.81 8.09 15.39 24.33 93.05 55.51 -64.54 -40.75 4.69 0.04 95.27 1.84 0.69 1.98 94.61 0.83 0.00 0.02 0.01 32 T H H 77.53 2.38 19.77 21.33 92.69 48.96 -65.54 -41.71 2.47 0.03 97.50 0.97 0.31 1.13 96.83 0.74 0.00 0.02 0.01 33 V H H 58.11 6.20 18.69 25.98 92.36 48.66 -65.42 -41.97 1.10 0.01 98.89 0.37 0.12 0.50 98.65 0.34 0.00 0.00 0.00 34 A H H 15.05 15.44 14.93 31.40 91.78 50.56 -63.85 -42.17 0.76 0.00 99.23 0.23 0.07 0.37 99.16 0.18 0.00 0.00 0.00 35 K H H 98.31 6.49 20.82 27.84 91.73 50.34 -63.87 -41.44 0.59 0.00 99.40 0.13 0.04 0.32 99.41 0.10 0.00 0.00 0.00 36 N H H 83.47 2.74 22.88 24.62 91.97 49.09 -64.90 -40.85 0.54 0.00 99.46 0.10 0.04 0.30 99.49 0.07 0.00 0.00 0.00 37 A H H 25.84 10.51 18.56 30.46 92.03 50.61 -64.43 -41.72 0.30 0.00 99.70 0.05 0.02 0.17 99.72 0.05 0.00 0.00 0.00 38 V H H 36.48 13.54 17.74 31.82 91.93 49.53 -64.36 -42.41 0.21 0.00 99.79 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 39 E H H 103.62 3.52 21.73 25.11 91.82 49.70 -64.18 -41.45 0.22 0.00 99.78 0.03 0.01 0.12 99.80 0.04 0.00 0.00 0.00 40 K H H 114.64 2.96 21.51 24.05 91.95 49.10 -65.05 -41.14 0.34 0.00 99.66 0.04 0.02 0.22 99.68 0.05 0.00 0.00 0.00 41 A H H 27.12 11.55 16.67 29.42 91.87 50.57 -64.48 -41.27 0.37 0.00 99.63 0.04 0.02 0.23 99.63 0.07 0.00 0.00 0.00 42 M H H 80.99 7.69 18.93 27.16 92.17 50.29 -64.47 -40.53 0.63 0.00 99.36 0.08 0.04 0.40 99.32 0.16 0.00 0.00 0.00 43 S H H 58.16 2.65 20.21 22.20 91.94 50.33 -64.50 -41.88 1.16 0.00 98.84 0.15 0.07 0.77 98.73 0.28 0.00 0.00 0.00 44 Y H H 104.25 4.70 19.14 24.32 92.22 48.90 -65.38 -40.95 1.87 0.00 98.12 0.32 0.17 1.20 97.72 0.58 0.00 0.00 0.00 45 A H H 29.72 10.21 15.04 26.62 92.24 51.52 -63.95 -41.19 3.79 0.01 96.20 0.62 0.34 2.54 95.64 0.85 0.00 0.00 0.00 46 Y H H 120.75 3.79 18.18 22.28 92.31 49.41 -65.49 -40.84 7.38 0.03 92.59 1.39 0.83 5.01 91.40 1.33 0.01 0.01 0.02 47 R H H 136.42 2.00 18.63 19.89 92.61 49.99 -65.84 -40.29 10.77 0.04 89.18 2.10 1.50 6.97 88.08 1.29 0.01 0.02 0.03 48 D H H 61.41 5.98 15.87 22.98 94.08 48.05 -67.90 -37.41 20.95 0.07 78.97 6.36 2.37 11.71 78.01 1.46 0.00 0.03 0.05 49 R H H 104.85 7.89 15.07 23.75 92.36 53.73 -64.14 -40.46 12.29 0.06 87.64 4.60 1.98 5.70 85.76 1.90 0.00 0.02 0.04 50 K H H 121.48 2.38 17.64 19.99 92.49 50.65 -65.23 -40.75 10.30 0.05 89.66 3.50 1.45 5.15 88.14 1.70 0.00 0.02 0.03 51 Q H H 95.66 2.53 17.77 20.09 92.36 48.95 -65.74 -40.66 9.95 0.04 90.01 3.86 1.50 4.35 88.87 1.37 0.00 0.02 0.02 52 N H H 66.54 6.65 15.87 23.66 92.54 50.28 -65.19 -40.88 7.79 0.03 92.17 3.58 1.06 2.88 91.59 0.86 0.00 0.01 0.02 53 K H H 96.89 7.14 16.50 24.60 92.26 51.17 -64.49 -40.62 4.10 0.02 95.88 1.46 0.54 1.89 95.44 0.65 0.00 0.01 0.01 54 R H H 135.12 2.56 18.57 21.01 92.30 49.91 -65.36 -41.08 2.59 0.01 97.40 0.75 0.33 1.33 97.10 0.48 0.00 0.00 0.00 55 N H H 83.53 3.34 19.20 22.48 92.31 49.08 -65.86 -41.10 2.27 0.01 97.72 0.63 0.26 1.17 97.60 0.34 0.00 0.00 0.00 56 F H H 67.35 10.47 17.09 28.35 92.16 49.66 -64.69 -41.88 1.03 0.00 98.97 0.24 0.11 0.54 98.93 0.18 0.00 0.00 0.00 57 R H H 95.56 10.48 18.31 29.12 91.72 51.30 -63.48 -41.46 0.54 0.00 99.46 0.10 0.04 0.30 99.45 0.11 0.00 0.00 0.00 58 S H H 54.85 3.65 20.91 24.41 91.72 50.56 -64.26 -41.38 0.47 0.00 99.53 0.06 0.03 0.29 99.53 0.09 0.00 0.00 0.00 59 L H H 69.52 5.86 21.21 27.55 91.90 49.52 -64.79 -41.48 0.23 0.00 99.77 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 60 W H H 42.43 16.62 18.37 34.99 91.61 50.33 -64.00 -42.49 0.17 0.00 99.83 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 61 I H H 53.20 12.46 20.42 33.07 91.69 50.13 -63.74 -41.94 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 62 Q H H 101.03 3.12 24.67 27.05 91.87 49.91 -64.92 -41.40 0.13 0.00 99.87 0.01 0.01 0.09 99.86 0.04 0.00 0.00 0.00 63 R H H 84.57 10.82 23.04 33.72 91.93 48.98 -65.05 -41.46 0.36 0.00 99.64 0.03 0.02 0.29 99.61 0.06 0.00 0.00 0.00 64 I H H 10.56 22.35 19.05 41.17 91.90 48.98 -64.86 -43.03 0.53 0.00 99.47 0.04 0.03 0.38 99.50 0.06 0.00 0.00 0.00 65 N H H 64.19 9.32 23.79 33.26 91.59 50.77 -63.36 -41.86 0.65 0.00 99.35 0.09 0.03 0.38 99.44 0.07 0.00 0.00 0.00 66 A H H 42.68 3.95 24.66 28.63 91.31 50.56 -63.55 -42.09 0.36 0.00 99.64 0.03 0.01 0.23 99.64 0.08 0.00 0.00 0.00 67 G H H 7.26 13.91 18.98 34.40 91.72 50.79 -63.91 -42.17 0.40 0.00 99.60 0.03 0.02 0.26 99.57 0.12 0.00 0.00 0.00 68 A H H 10.27 16.35 15.26 32.73 91.54 51.19 -63.51 -41.91 0.50 0.00 99.50 0.06 0.03 0.31 99.38 0.22 0.00 0.00 0.00 69 R H H 161.48 2.00 19.64 21.59 91.81 50.35 -63.68 -41.00 0.80 0.00 99.20 0.07 0.04 0.59 98.66 0.65 0.00 0.00 0.00 70 L H H 107.43 4.02 17.05 22.10 91.55 51.81 -66.42 -32.00 5.04 0.00 94.96 0.11 0.15 4.89 94.08 0.77 0.00 0.00 0.00 71 E C T 82.50 9.75 13.49 24.38 95.26 43.71 -93.98 2.90 64.20 0.01 35.79 0.23 0.71 64.00 34.28 0.76 0.00 0.00 0.01 72 G C T 62.97 0.89 19.04 18.06 94.85 -111.72 75.37 19.28 99.91 0.00 0.09 0.64 0.73 98.59 0.03 0.01 0.00 0.00 0.00 73 M C C 46.35 14.14 10.09 24.70 126.46 127.18 -113.10 148.68 99.65 0.32 0.04 95.73 3.82 0.07 0.02 0.01 0.00 0.08 0.26 74 S C C 58.60 2.67 22.50 23.74 120.38 -121.30 -80.82 159.26 99.71 0.25 0.05 99.50 0.25 0.02 0.02 0.00 0.00 0.05 0.15 75 Y H H 71.25 18.08 12.43 29.81 92.24 -113.41 -58.64 -38.92 1.47 0.00 98.53 0.25 0.19 0.80 98.37 0.39 0.00 0.00 0.00 76 S H H 76.18 2.25 19.95 22.09 91.46 55.82 -63.71 -39.44 0.55 0.00 99.45 0.04 0.03 0.39 98.97 0.57 0.00 0.00 0.00 77 Q H H 97.18 3.59 21.00 24.52 91.89 49.63 -65.86 -40.56 0.20 0.00 99.80 0.02 0.01 0.13 99.31 0.53 0.00 0.00 0.00 78 F H H 10.07 21.85 14.61 36.56 91.98 49.71 -64.20 -43.28 0.24 0.00 99.76 0.02 0.01 0.16 99.64 0.18 0.00 0.00 0.00 79 M H H 53.18 14.35 18.32 32.57 91.70 50.54 -62.87 -42.02 0.23 0.00 99.77 0.01 0.01 0.15 99.79 0.04 0.00 0.00 0.00 80 G H H 35.79 2.26 22.12 23.08 91.60 51.06 -63.24 -42.50 0.35 0.00 99.65 0.02 0.01 0.25 99.68 0.04 0.00 0.00 0.00 81 K H H 80.54 7.64 19.92 28.30 92.05 49.99 -65.60 -41.05 0.29 0.00 99.71 0.02 0.01 0.19 99.70 0.06 0.00 0.00 0.00 82 V H H 8.35 20.83 12.24 33.21 91.71 50.41 -64.01 -42.70 0.31 0.00 99.69 0.03 0.02 0.20 99.62 0.13 0.00 0.00 0.00 83 K H H 128.81 4.25 17.11 22.79 91.73 50.07 -63.51 -40.27 0.62 0.00 99.38 0.04 0.02 0.45 99.16 0.32 0.00 0.00 0.00 84 A H H 84.68 1.52 16.23 17.61 90.74 54.95 -65.41 -27.95 6.70 0.00 93.30 0.11 0.15 6.61 92.64 0.47 0.00 0.00 0.00 85 N C T 77.61 8.13 13.14 22.66 94.66 47.87 -93.42 4.65 83.05 0.01 16.95 0.18 0.66 82.13 16.60 0.42 0.00 0.00 0.01 86 G C T 60.18 1.43 18.61 19.25 94.38 -112.92 71.96 23.44 99.87 0.00 0.12 0.69 0.63 98.62 0.04 0.02 0.00 0.00 0.00 87 I C C 29.85 18.31 9.73 27.68 114.80 145.81 -98.17 125.09 96.70 3.16 0.14 95.87 1.16 0.16 0.05 0.05 0.00 1.97 0.73 88 E C C 135.45 2.47 22.78 25.12 110.67 -145.70 -93.76 115.83 95.92 3.90 0.17 94.35 1.70 0.37 0.07 0.07 0.00 2.70 0.73 89 L C C 20.71 22.92 10.28 32.15 124.62 165.24 -115.33 140.40 95.45 4.38 0.17 91.36 4.62 0.17 0.11 0.05 0.00 2.09 1.60 90 N C C 77.14 4.23 23.09 26.70 121.19 -127.15 -82.64 162.50 99.05 0.71 0.24 98.35 0.84 0.10 0.18 0.02 0.00 0.26 0.26 91 R H H 109.91 14.04 15.17 29.01 91.55 -104.96 -59.46 -37.46 1.06 0.00 98.93 0.13 0.14 0.59 99.02 0.12 0.00 0.00 0.00 92 K H H 121.58 4.77 21.13 26.46 91.73 54.26 -63.90 -40.66 0.44 0.00 99.56 0.03 0.03 0.31 99.51 0.12 0.00 0.00 0.00 93 V H H 34.03 12.65 20.65 33.82 91.91 48.79 -65.05 -42.40 0.20 0.00 99.80 0.01 0.01 0.13 99.74 0.10 0.00 0.00 0.00 94 L H H 7.82 23.15 18.88 41.73 91.55 49.48 -63.54 -43.11 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 95 A H H 18.35 14.37 21.23 36.24 91.49 51.13 -63.25 -42.05 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 96 D H H 62.95 6.01 25.55 31.95 91.59 50.29 -64.48 -41.28 0.35 0.00 99.65 0.02 0.01 0.25 99.69 0.03 0.00 0.00 0.00 97 L H H 15.49 17.08 20.27 37.87 91.85 50.48 -64.25 -42.11 0.32 0.00 99.68 0.01 0.01 0.23 99.64 0.10 0.00 0.00 0.00 98 A H H 10.50 20.38 17.08 37.40 91.62 52.24 -65.11 -37.08 0.85 0.00 99.15 0.05 0.03 0.67 98.94 0.31 0.00 0.00 0.00 99 M H H 94.33 8.31 20.71 29.16 93.93 50.32 -71.46 -35.22 4.97 0.00 95.02 0.04 0.09 5.09 94.36 0.41 0.00 0.00 0.00 100 N H H 93.35 4.84 19.55 24.90 100.42 32.23 -95.88 -23.91 10.84 0.01 89.15 0.15 0.73 9.93 88.89 0.28 0.01 0.00 0.01 101 H C C 68.99 10.32 15.56 26.95 113.46 20.49 -137.03 76.60 99.87 0.04 0.09 92.97 6.78 0.11 0.08 0.01 0.00 0.01 0.04 102 P H H 55.82 13.77 14.40 28.75 93.69 169.16 -61.78 -35.82 2.63 0.00 97.37 0.23 0.15 2.05 95.01 2.56 0.00 0.00 0.00 103 E H H 126.70 2.19 23.17 24.85 91.60 54.73 -64.24 -38.94 0.80 0.00 99.20 0.03 0.03 0.70 97.25 1.98 0.00 0.00 0.00 104 A H H 16.41 13.26 18.98 33.44 91.60 51.28 -64.35 -41.53 0.20 0.00 99.80 0.02 0.01 0.14 98.54 1.29 0.00 0.00 0.00 105 F H H 7.84 24.31 16.38 40.71 91.55 50.75 -64.06 -42.57 0.17 0.00 99.83 0.02 0.01 0.11 99.38 0.49 0.00 0.00 0.00 106 K H H 100.08 7.50 23.45 31.31 91.47 51.63 -63.03 -41.50 0.17 0.00 99.83 0.01 0.01 0.12 99.71 0.15 0.00 0.00 0.00 107 A H H 40.45 4.71 22.97 28.12 91.48 50.94 -63.41 -42.33 0.23 0.00 99.77 0.02 0.01 0.16 99.64 0.17 0.00 0.00 0.00 108 I H H 10.16 19.92 18.34 38.55 92.20 49.14 -64.77 -43.02 0.30 0.00 99.70 0.02 0.01 0.22 99.48 0.27 0.00 0.00 0.00 109 L H H 21.30 18.56 16.45 35.07 91.61 50.60 -63.30 -40.94 0.61 0.00 99.39 0.05 0.03 0.44 98.91 0.57 0.00 0.00 0.00 110 N H H 108.45 2.03 20.36 21.94 91.68 51.61 -65.26 -37.08 5.91 0.00 94.08 0.28 0.23 5.26 92.43 1.80 0.00 0.00 0.00 111 K H H 113.13 5.59 17.36 23.85 92.74 51.14 -70.49 -30.45 18.53 0.01 81.46 0.83 0.74 16.38 80.23 1.79 0.01 0.00 0.01 112 V H H 29.43 18.32 10.70 28.02 98.22 50.56 -85.61 -12.07 40.85 0.18 58.97 17.48 1.92 20.75 58.15 1.48 0.01 0.05 0.15 113 K C C 141.28 4.72 17.29 23.61 101.05 -143.33 -58.99 47.23 99.95 0.02 0.03 99.84 0.05 0.08 0.02 0.00 0.00 0.01 0.00