# 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 A C C 66.30 5.44 14.68 21.12 111.77 -135.80 -80.79 138.38 99.83 0.05 0.11 99.73 0.08 0.08 0.06 0.01 0.00 0.02 0.01 1 M C C 101.03 7.43 10.46 18.98 104.95 -108.91 -77.56 48.42 64.43 0.81 34.76 57.48 1.27 6.23 31.48 2.77 0.00 0.36 0.40 2 E C H 113.14 4.71 12.13 18.27 98.94 64.13 -72.77 -31.03 52.84 0.73 46.44 35.65 7.69 9.14 43.39 3.48 0.00 0.31 0.33 3 S H H 56.24 6.71 12.42 20.45 100.46 56.86 -76.64 -29.45 46.65 0.62 52.73 32.68 6.74 7.43 48.92 3.69 0.00 0.26 0.27 4 K H H 119.28 4.54 15.16 20.80 95.23 61.35 -67.82 -34.01 28.49 0.39 71.12 18.91 4.77 5.41 68.32 2.28 0.00 0.17 0.15 5 Y H H 88.32 9.50 15.77 26.25 93.33 54.29 -67.17 -39.36 14.21 0.25 85.55 9.07 2.46 3.31 83.47 1.50 0.00 0.10 0.08 6 K H H 67.64 13.60 17.37 30.84 92.39 53.06 -64.52 -41.05 6.58 0.14 93.28 4.11 1.00 1.86 91.83 1.09 0.00 0.07 0.04 7 E H H 68.15 12.19 19.04 31.29 92.07 51.63 -64.92 -41.46 4.36 0.13 95.52 2.44 0.62 1.53 94.27 1.03 0.00 0.07 0.03 8 I H H 60.17 9.30 21.15 31.04 92.56 49.63 -65.87 -41.95 3.17 0.10 96.73 1.48 0.48 1.38 95.54 1.03 0.01 0.06 0.02 9 L H H 35.12 14.11 20.88 35.12 92.35 49.41 -65.29 -42.92 3.32 0.08 96.60 1.19 0.46 1.78 95.04 1.45 0.01 0.05 0.02 10 L H H 18.40 20.76 19.88 39.95 92.58 48.63 -65.74 -41.55 5.25 0.08 94.67 1.14 0.60 3.57 92.27 2.32 0.02 0.05 0.03 11 L H H 43.16 15.10 20.54 35.22 93.19 48.53 -67.51 -37.66 8.94 0.08 90.98 1.55 1.03 6.46 87.42 3.42 0.04 0.04 0.04 12 T H H 66.50 6.76 23.23 30.15 93.23 49.20 -69.27 -37.07 18.46 0.11 81.43 1.99 1.80 14.74 75.74 5.56 0.06 0.05 0.07 13 G H H 13.65 15.46 19.08 34.50 94.30 52.60 -69.04 -30.83 38.33 0.20 61.46 4.19 3.82 29.94 53.17 8.58 0.07 0.09 0.16 14 L H H 12.64 23.03 15.07 37.79 94.24 56.46 -80.80 -12.85 48.88 0.71 50.41 16.85 6.85 24.73 26.61 24.03 0.04 0.33 0.56 15 D C T 83.45 8.57 18.39 27.90 92.76 81.60 -65.11 -22.74 69.62 0.41 29.97 9.53 7.57 51.79 13.48 17.05 0.01 0.20 0.37 16 N C T 113.85 2.86 20.49 23.31 96.08 50.21 -93.44 4.70 79.44 0.25 20.31 13.03 8.89 57.57 5.69 14.50 0.00 0.12 0.20 17 I C C 18.98 22.18 8.41 29.19 117.94 111.35 -82.54 138.83 98.77 0.65 0.58 77.59 20.56 0.42 0.40 0.14 0.00 0.15 0.75 18 T C C 69.45 2.56 20.96 22.45 123.29 -135.28 -85.31 164.79 99.11 0.31 0.57 98.67 0.43 0.13 0.44 0.04 0.00 0.06 0.23 19 D H H 93.40 7.41 13.70 22.69 91.77 -103.43 -57.92 -38.89 2.71 0.00 97.29 0.45 0.36 1.68 95.53 1.97 0.00 0.00 0.00 20 E H H 123.68 1.52 18.53 18.87 91.62 51.89 -64.19 -40.57 1.55 0.00 98.45 0.17 0.13 1.11 96.49 2.09 0.00 0.00 0.00 21 E H H 56.64 11.08 16.79 28.84 91.88 48.95 -65.46 -40.02 0.83 0.00 99.17 0.14 0.07 0.54 96.87 2.38 0.00 0.00 0.00 22 L H H 10.01 21.64 13.12 34.81 91.36 50.93 -63.41 -41.81 0.64 0.00 99.36 0.08 0.04 0.43 97.76 1.69 0.00 0.00 0.00 23 D H H 83.97 4.24 20.74 25.40 91.51 51.66 -64.59 -39.52 3.12 0.00 96.88 0.14 0.10 2.70 93.41 3.64 0.00 0.00 0.00 24 R H H 119.18 4.28 21.31 25.67 92.08 51.18 -65.97 -39.99 10.12 0.01 89.88 0.24 0.34 9.56 84.71 5.12 0.01 0.00 0.01 25 F H H 11.40 22.14 15.98 38.01 93.26 47.71 -71.29 -33.74 14.38 0.05 85.56 1.27 1.03 11.25 74.31 12.04 0.03 0.03 0.03 26 K H G 70.80 16.94 17.26 33.14 91.58 65.48 -60.16 -37.66 7.82 0.04 92.14 0.66 0.50 5.96 44.35 48.49 0.00 0.02 0.01 27 G H G 47.63 3.03 21.82 24.71 91.42 57.94 -69.04 -22.71 17.41 0.04 82.55 0.69 0.83 15.26 30.07 53.11 0.01 0.02 0.02 28 F H G 77.14 11.05 18.74 30.41 95.82 53.29 -89.37 -10.97 25.71 0.12 74.17 2.01 2.28 19.86 22.53 53.16 0.01 0.06 0.09 29 L C C 14.39 23.34 11.48 33.92 108.05 89.40 -78.05 121.06 75.59 2.37 22.04 42.37 26.72 7.31 15.05 5.68 0.02 0.64 2.22 30 S C C 46.54 9.88 16.21 26.77 111.57 -119.79 -75.28 147.18 76.24 1.48 22.29 55.79 6.93 13.42 13.27 8.82 0.00 0.69 1.07 31 D C T 117.89 2.57 15.69 19.39 96.09 -121.38 -76.27 -15.87 71.79 0.93 27.28 22.16 18.03 32.22 12.12 14.32 0.02 0.39 0.74 32 E C T 118.73 4.81 15.66 21.31 97.85 61.02 -82.69 -7.75 72.96 0.88 26.16 28.77 15.67 29.23 11.81 13.46 0.01 0.37 0.69 33 F C C 56.55 16.98 10.66 26.54 107.55 90.54 -89.02 96.69 82.07 0.91 17.02 43.32 21.80 17.43 8.42 7.94 0.00 0.35 0.74 34 N C C 124.77 2.16 19.74 21.59 98.11 -134.78 -76.31 30.30 91.56 0.82 7.62 56.76 17.79 17.09 4.40 3.06 0.00 0.39 0.51 35 I C C 25.47 19.02 9.63 27.99 119.79 121.73 -102.31 135.40 90.10 2.35 7.56 66.88 20.10 2.65 6.47 1.30 0.00 0.85 1.74 36 A C C 57.53 3.00 20.18 22.53 114.49 -112.28 -69.47 148.40 91.61 1.13 7.26 88.90 1.67 1.61 6.00 0.76 0.00 0.51 0.55 37 T H H 72.58 12.47 12.08 24.59 92.93 -115.72 -59.11 -37.27 23.63 0.41 75.96 6.93 4.16 12.83 58.15 17.41 0.10 0.21 0.23 38 G H H 48.82 1.96 17.83 19.29 92.19 55.81 -63.81 -35.38 21.40 0.14 78.46 2.72 2.46 14.57 60.62 19.40 0.06 0.07 0.08 39 K H H 98.58 6.37 17.64 24.81 93.24 52.77 -72.84 -27.24 16.27 0.19 83.54 3.60 2.16 9.32 63.33 21.36 0.04 0.10 0.09 40 L H H 8.87 23.86 10.41 33.41 92.26 57.42 -67.49 -34.39 17.94 0.38 81.68 5.41 2.90 8.91 61.18 21.17 0.05 0.20 0.17 41 H H H 110.21 8.29 17.36 26.35 92.36 62.24 -68.31 -24.24 43.91 0.29 55.81 3.45 3.31 35.70 42.22 14.90 0.07 0.14 0.20 42 T C T 109.61 1.14 19.77 19.06 97.34 44.59 -93.19 -4.56 60.92 0.17 38.91 3.55 4.49 51.99 27.64 12.07 0.02 0.08 0.15 43 A C S 21.79 17.11 9.35 26.14 120.48 104.00 -79.17 151.98 98.51 0.50 0.99 41.32 56.47 0.69 0.83 0.14 0.00 0.11 0.45 44 N C C 82.91 3.53 22.64 25.31 119.93 -113.64 -79.82 161.87 97.60 1.89 0.50 96.49 0.92 0.13 0.43 0.03 0.00 0.32 1.68 45 R H H 85.71 17.38 14.83 31.26 91.84 -105.06 -59.07 -38.48 1.01 0.00 98.99 0.14 0.13 0.59 99.01 0.13 0.00 0.00 0.00 46 I H H 76.24 10.05 20.31 30.57 92.13 52.13 -64.78 -40.81 0.42 0.00 99.58 0.03 0.03 0.29 99.53 0.12 0.00 0.00 0.00 47 Q H H 90.26 4.90 23.98 28.80 91.94 48.70 -65.70 -40.54 0.21 0.00 99.78 0.03 0.01 0.13 99.68 0.15 0.00 0.00 0.00 48 V H H 8.76 20.21 19.26 39.63 91.63 49.12 -64.14 -43.58 0.10 0.00 99.90 0.01 0.00 0.05 99.89 0.03 0.00 0.00 0.00 49 A H H 6.56 21.19 19.84 41.05 91.05 51.21 -62.40 -43.72 0.07 0.00 99.93 0.01 0.00 0.04 99.92 0.03 0.00 0.00 0.00 50 T H H 62.42 5.71 25.65 31.67 91.62 49.84 -64.50 -41.66 0.15 0.00 99.85 0.01 0.00 0.12 99.83 0.05 0.00 0.00 0.00 51 L H H 40.01 9.65 23.63 34.18 91.84 49.75 -64.52 -42.46 0.29 0.00 99.71 0.01 0.01 0.22 99.67 0.08 0.00 0.00 0.00 52 M H H 6.16 23.17 17.42 40.81 91.77 50.40 -63.82 -42.96 0.90 0.00 99.10 0.13 0.08 0.59 99.05 0.15 0.00 0.00 0.00 53 I H H 44.72 15.33 17.92 33.02 91.94 48.52 -64.59 -41.16 1.39 0.01 98.60 0.28 0.19 0.80 98.55 0.18 0.00 0.00 0.00 54 Q H H 131.80 1.81 21.16 22.39 92.83 47.77 -67.20 -38.98 1.95 0.00 98.05 0.16 0.16 1.50 97.94 0.24 0.00 0.00 0.00 55 N H H 81.40 7.73 18.39 26.71 98.47 37.27 -82.60 -37.37 4.55 0.01 95.44 0.14 0.34 4.00 95.25 0.25 0.00 0.00 0.00 56 A H H 31.81 14.06 14.67 29.01 101.11 23.95 -105.02 -14.20 14.70 0.08 85.22 1.07 4.26 9.31 84.96 0.28 0.04 0.01 0.06 57 G C C 24.82 4.66 21.51 27.17 125.68 -115.74 91.32 167.96 87.20 0.21 12.59 79.49 3.22 2.98 13.53 0.58 0.00 0.06 0.15 58 A H H 32.30 18.83 15.26 33.10 92.26 -80.66 -60.06 -39.76 4.02 0.01 95.97 0.77 0.81 2.27 95.36 0.76 0.00 0.00 0.00 59 V H H 81.40 7.52 22.59 30.43 92.12 50.90 -63.82 -40.80 2.25 0.00 97.74 0.26 0.20 1.61 97.12 0.80 0.00 0.00 0.00 60 S H H 39.72 6.53 23.52 30.59 91.82 49.39 -66.11 -39.87 1.47 0.00 98.53 0.22 0.11 0.99 97.70 0.98 0.00 0.00 0.00 61 A H H 3.74 21.80 18.32 40.58 91.85 51.47 -63.41 -43.41 0.45 0.00 99.55 0.09 0.03 0.21 99.53 0.13 0.00 0.00 0.00 62 V H H 12.46 21.02 21.79 42.13 91.86 49.82 -64.14 -42.52 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.03 0.00 0.00 0.00 63 M H H 89.04 6.10 26.88 33.32 91.64 50.13 -63.85 -42.25 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 64 K H H 52.50 12.48 24.82 37.30 91.79 48.96 -65.05 -42.33 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 65 T H H 2.89 25.21 21.47 46.38 91.59 50.03 -64.00 -43.01 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 66 I H H 24.14 17.20 22.32 39.23 91.27 50.26 -63.72 -42.54 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 67 R H H 119.16 3.80 26.58 30.09 91.61 50.69 -64.36 -41.66 0.10 0.00 99.90 0.00 0.00 0.07 99.88 0.04 0.00 0.00 0.00 68 I H H 13.71 16.54 20.45 37.73 91.59 49.69 -63.86 -43.65 0.18 0.00 99.82 0.01 0.01 0.14 99.68 0.17 0.00 0.00 0.00 69 F H H 8.83 21.96 16.35 38.54 91.82 49.58 -64.33 -41.41 0.53 0.00 99.47 0.03 0.02 0.41 99.05 0.48 0.00 0.00 0.00 70 Q H H 88.94 7.22 18.72 26.77 91.77 52.32 -64.10 -40.10 3.80 0.00 96.20 0.22 0.16 3.27 95.76 0.59 0.00 0.00 0.00 71 K H H 123.86 4.03 18.77 23.55 90.72 54.87 -65.79 -30.37 13.40 0.01 86.58 0.30 0.52 13.06 85.52 0.58 0.01 0.00 0.01 72 L C T 39.05 14.50 13.13 28.43 95.38 50.39 -90.76 4.01 91.74 0.02 8.24 0.64 4.22 86.35 8.15 0.60 0.00 0.01 0.03 73 N C T 129.49 1.60 19.26 20.46 93.82 -115.50 61.25 34.34 99.14 0.01 0.85 1.33 2.96 95.02 0.56 0.13 0.00 0.00 0.00 74 Y C C 48.88 15.03 11.92 27.69 104.08 127.82 -109.38 49.78 98.31 0.29 1.40 96.59 0.93 1.09 0.88 0.20 0.00 0.07 0.23 75 M H H 90.90 8.40 15.69 25.67 94.36 146.74 -63.18 -38.53 4.62 0.01 95.37 2.73 0.57 1.26 94.86 0.57 0.00 0.00 0.00 76 L H H 103.17 2.03 22.56 23.20 91.81 53.20 -64.10 -40.85 1.01 0.00 98.99 0.13 0.07 0.65 98.47 0.66 0.00 0.00 0.00 77 L H H 25.79 13.75 18.61 33.28 92.10 49.64 -65.14 -41.61 0.35 0.00 99.65 0.04 0.02 0.23 99.09 0.62 0.00 0.00 0.00 78 A H H 7.05 19.29 15.16 35.17 91.20 51.81 -62.17 -42.71 0.16 0.00 99.84 0.02 0.01 0.09 99.63 0.25 0.00 0.00 0.00 79 K H H 116.16 2.53 24.06 25.62 91.24 50.56 -63.69 -41.27 0.26 0.00 99.74 0.02 0.01 0.19 99.66 0.13 0.00 0.00 0.00 80 R H H 112.00 4.05 22.70 26.59 91.61 49.78 -64.64 -41.99 0.47 0.00 99.53 0.04 0.02 0.34 99.50 0.10 0.00 0.00 0.00 81 L H H 9.32 20.47 15.47 36.38 91.67 50.06 -64.01 -42.19 0.56 0.00 99.44 0.10 0.03 0.33 99.38 0.16 0.00 0.00 0.00 82 Q H H 76.78 8.84 20.16 29.50 91.68 51.33 -63.09 -41.50 0.55 0.00 99.45 0.10 0.03 0.31 99.43 0.13 0.00 0.00 0.00 83 E H H 107.60 1.67 22.29 21.68 91.61 49.43 -64.24 -41.62 0.69 0.00 99.31 0.11 0.04 0.39 99.33 0.13 0.00 0.00 0.00 84 E H H 64.80 8.46 18.21 27.85 92.05 49.43 -64.77 -40.93 0.77 0.00 99.23 0.12 0.06 0.43 99.25 0.14 0.00 0.00 0.00 85 K H H 61.81 13.55 15.39 29.19 91.92 51.28 -63.82 -40.93 1.19 0.00 98.81 0.21 0.09 0.69 98.80 0.20 0.00 0.00 0.00 86 E H H 104.19 2.23 19.35 20.84 91.67 50.44 -64.37 -40.51 1.98 0.01 98.02 0.45 0.18 1.08 98.01 0.26 0.00 0.00 0.00 87 K H H 109.38 2.12 18.33 19.71 91.89 49.72 -65.00 -41.08 2.93 0.01 97.06 0.80 0.33 1.53 96.94 0.40 0.00 0.00 0.00 88 V H H 28.77 10.59 12.76 25.35 92.43 50.20 -65.01 -41.08 4.11 0.02 95.87 1.31 0.49 2.03 95.44 0.71 0.00 0.01 0.01 89 D H H 71.65 5.18 13.96 20.57 92.44 51.47 -65.24 -38.52 5.97 0.03 94.00 1.93 0.67 3.06 93.03 1.28 0.00 0.01 0.01 90 K H H 141.80 1.22 13.79 14.54 92.87 51.12 -66.58 -36.15 10.81 0.04 89.15 2.15 1.14 7.00 87.32 2.36 0.01 0.02 0.02 91 Q H H 121.79 2.24 11.94 15.05 93.80 52.45 -71.09 -30.41 23.47 0.08 76.45 3.91 2.32 16.60 74.87 2.20 0.01 0.03 0.05 92 Y C H 126.03 6.36 8.94 16.59 98.99 49.73 -86.13 -9.51 50.86 0.20 48.94 22.44 1.65 25.05 48.92 1.73 0.00 0.07 0.14 93 K C C 145.83 2.80 12.46 16.71 102.90 89.68 -75.60 54.82 99.93 0.02 0.05 99.79 0.07 0.09 0.04 0.00 0.00 0.01 0.00