# 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 54.20 7.99 14.53 23.27 102.57 56.65 -73.92 -19.74 98.59 0.12 1.29 98.14 0.22 0.38 1.11 0.06 0.00 0.05 0.03 1 R H H 142.05 4.94 13.02 19.29 97.41 56.45 -69.58 -32.00 45.21 1.15 53.64 38.27 2.03 6.02 48.43 4.18 0.00 0.61 0.46 2 A H H 61.66 5.35 11.95 18.75 97.45 61.33 -70.97 -34.57 38.23 1.45 60.32 26.16 5.87 7.91 52.11 6.63 0.01 0.84 0.47 3 K H H 124.00 4.24 14.47 19.88 96.38 55.43 -71.44 -33.26 32.46 1.82 65.72 21.70 5.57 7.29 56.29 7.47 0.03 1.12 0.55 4 A H H 47.67 9.66 12.21 22.87 97.43 57.94 -72.38 -29.52 33.47 1.69 64.83 22.69 5.97 6.91 56.91 5.99 0.02 0.98 0.52 5 K H H 120.09 5.55 15.63 22.21 98.36 61.18 -78.08 -21.19 39.61 2.07 58.33 26.68 7.00 7.65 52.50 4.36 0.02 1.17 0.63 6 T H H 67.56 6.96 15.13 23.10 107.34 67.74 -83.44 96.45 44.04 2.43 53.54 29.74 7.31 8.30 48.21 4.29 0.02 1.40 0.74 7 R H H 113.15 9.43 15.06 25.04 99.28 59.07 -75.69 -23.36 42.92 2.67 54.41 27.00 8.26 9.56 47.56 5.20 0.04 1.53 0.85 8 S H H 45.11 11.17 13.90 25.61 100.39 59.95 -76.08 -21.25 47.62 2.95 49.42 29.87 7.92 11.34 41.70 6.41 0.04 1.73 1.00 9 S C H 67.67 6.38 15.54 22.85 98.19 58.04 -73.10 -24.61 50.84 3.41 45.75 28.80 9.41 14.19 36.43 7.90 0.07 1.93 1.27 10 R C H 138.63 6.21 15.51 22.70 97.15 63.93 -78.91 -14.75 53.77 4.10 42.13 21.75 12.95 21.04 31.01 9.06 0.23 2.15 1.80 11 A C T 47.81 11.70 14.31 26.30 98.88 64.45 -79.65 2.49 72.33 1.63 26.04 13.32 14.07 44.52 17.36 8.84 0.07 0.84 0.99 12 G C T 46.14 5.75 19.34 25.69 98.83 -104.27 83.71 6.72 88.62 1.80 9.58 22.62 17.16 49.61 3.87 4.98 0.01 1.05 0.71 13 L C C 33.14 18.88 12.42 30.81 114.76 127.65 -91.28 128.61 84.74 9.54 5.73 66.85 10.89 6.50 2.67 3.10 0.00 5.79 4.19 14 Q C C 110.38 6.56 21.64 28.70 107.62 -163.55 -98.96 55.82 83.59 12.49 3.92 55.81 23.04 4.82 2.52 1.64 0.01 7.69 4.47 15 F C C 35.56 19.34 15.54 34.32 120.65 94.93 -107.82 132.55 89.67 8.43 1.89 50.78 38.59 1.33 1.75 0.44 0.00 4.98 2.12 16 P C C 49.03 8.91 23.62 33.04 110.05 -108.40 -68.09 136.82 90.38 6.31 3.32 87.47 2.14 1.08 2.99 0.49 0.00 3.66 2.17 17 V H H 31.50 20.89 16.34 36.24 93.51 -124.66 -61.06 -37.91 12.32 0.18 87.50 4.11 1.87 6.75 84.96 2.09 0.03 0.09 0.09 18 G H H 30.01 7.01 22.08 29.81 91.87 56.45 -61.48 -41.46 7.51 0.10 92.39 1.58 0.97 5.12 90.33 1.88 0.03 0.05 0.03 19 R H H 97.53 7.94 23.41 31.51 92.13 50.82 -66.83 -39.58 2.86 0.09 97.05 1.14 0.43 1.45 95.35 1.54 0.01 0.06 0.02 20 V H H 3.62 24.74 17.39 42.35 91.74 51.37 -63.51 -43.75 1.21 0.05 98.75 0.44 0.17 0.61 98.20 0.54 0.00 0.03 0.01 21 H H H 51.31 15.14 21.13 35.79 91.44 50.94 -62.70 -42.10 1.08 0.03 98.88 0.32 0.13 0.59 98.51 0.42 0.00 0.02 0.00 22 R H H 121.13 2.79 24.47 26.30 91.57 50.50 -64.02 -42.25 1.43 0.04 98.53 0.32 0.17 0.90 98.09 0.48 0.01 0.02 0.01 23 L H H 24.62 12.63 18.54 32.57 91.94 49.66 -64.48 -42.14 1.89 0.06 98.04 0.45 0.25 1.20 97.36 0.67 0.02 0.04 0.01 24 L H H 16.08 20.69 13.89 34.27 92.29 50.12 -65.34 -40.26 3.53 0.09 96.38 0.75 0.38 2.43 94.98 1.37 0.02 0.05 0.02 25 R H H 144.12 4.98 17.76 23.99 92.02 52.01 -66.09 -33.91 11.01 0.10 88.89 0.85 0.81 9.42 87.49 1.29 0.06 0.05 0.05 26 K C T 140.60 1.99 17.40 19.04 94.47 48.28 -85.85 -7.58 58.86 0.16 40.98 1.34 3.33 52.68 40.81 1.63 0.04 0.05 0.12 27 G C T 39.78 8.37 14.62 23.82 101.23 -101.80 82.54 9.67 93.60 0.20 6.20 5.08 11.17 77.26 5.15 1.11 0.00 0.08 0.15 28 N C C 78.09 6.38 17.34 24.79 101.12 131.06 -89.90 52.04 82.19 0.84 16.97 47.82 19.81 14.51 13.13 3.81 0.00 0.31 0.61 29 Y H H 36.84 17.81 13.88 31.54 95.44 135.11 -71.97 -28.69 34.65 1.18 64.17 16.70 7.03 12.95 50.34 11.66 0.12 0.58 0.61 30 A H H 30.70 14.75 13.73 28.76 92.23 64.07 -63.48 -33.72 14.73 0.51 84.76 4.25 2.47 7.86 66.01 18.85 0.08 0.32 0.16 31 E H H 145.62 1.50 19.59 20.34 92.51 53.99 -69.47 -29.45 12.52 0.36 87.12 2.26 1.79 7.89 68.54 19.06 0.11 0.23 0.11 32 R H H 126.76 6.67 17.38 24.73 96.76 48.23 -80.92 -31.05 17.44 0.35 82.21 2.29 2.83 12.26 69.40 12.64 0.23 0.18 0.18 33 V H H 35.51 17.16 11.94 28.32 103.46 38.68 -101.01 -14.33 35.62 2.16 62.23 8.46 14.76 16.64 53.83 3.55 0.44 0.65 1.67 34 G C C 35.71 4.20 18.74 23.69 123.85 -125.85 83.39 -171.21 66.94 1.13 31.93 43.04 7.54 14.04 5.22 28.94 0.00 0.57 0.65 35 A C T 84.71 4.03 16.33 21.69 95.45 -40.54 -67.01 -14.14 60.16 0.32 39.53 1.86 5.96 51.82 3.68 36.24 0.01 0.16 0.27 36 G C T 32.76 9.10 18.48 28.24 94.42 52.60 -75.21 -6.39 57.54 0.19 42.27 5.23 4.66 46.65 7.37 35.83 0.00 0.09 0.16 37 A H H 11.73 18.85 16.66 36.06 93.05 99.95 -61.56 -41.75 4.29 0.01 95.70 2.49 0.77 1.11 94.85 0.77 0.00 0.00 0.01 38 P H H 30.36 18.20 20.29 37.65 91.94 52.83 -63.59 -39.67 0.95 0.00 99.05 0.19 0.08 0.54 98.73 0.47 0.00 0.00 0.00 39 V H H 68.06 7.94 25.60 33.63 91.73 50.22 -64.88 -41.65 0.19 0.00 99.81 0.03 0.01 0.11 99.61 0.24 0.00 0.00 0.00 40 Y H H 64.33 13.49 24.99 38.19 91.73 49.26 -64.61 -42.74 0.10 0.00 99.90 0.02 0.01 0.05 99.86 0.07 0.00 0.00 0.00 41 L H H 7.47 24.17 22.66 46.20 91.58 49.90 -64.19 -42.92 0.11 0.00 99.89 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 42 A H H 19.53 16.35 24.01 40.13 91.28 51.46 -62.78 -42.01 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 43 A H H 37.72 7.46 26.59 35.00 91.36 50.70 -63.69 -42.27 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 44 V H H 15.23 19.04 23.83 42.43 91.63 49.79 -64.43 -43.01 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 45 L H H 9.40 23.61 22.01 45.00 91.36 50.81 -63.67 -42.07 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.02 0.00 0.00 0.00 46 E H H 81.49 10.78 25.07 35.67 91.32 51.60 -63.17 -41.32 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 47 Y H H 89.80 8.92 25.72 34.92 91.89 49.18 -64.84 -41.68 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 48 L H H 12.19 21.04 22.06 42.57 91.54 49.29 -65.37 -42.24 0.25 0.00 99.75 0.02 0.01 0.17 99.76 0.03 0.00 0.00 0.00 49 T H H 19.30 19.66 21.96 40.71 91.64 50.96 -63.71 -41.74 0.42 0.00 99.58 0.05 0.02 0.27 99.61 0.05 0.00 0.00 0.00 50 A H H 42.35 6.81 24.59 31.98 91.49 51.89 -63.74 -41.60 0.28 0.00 99.72 0.03 0.01 0.18 99.70 0.08 0.00 0.00 0.00 51 E H H 66.09 10.05 24.61 34.83 91.71 49.80 -65.17 -41.18 0.36 0.00 99.64 0.04 0.02 0.24 99.59 0.11 0.00 0.00 0.00 52 I H H 6.48 23.83 19.89 43.55 91.43 49.93 -64.24 -43.14 0.40 0.00 99.60 0.05 0.02 0.25 99.54 0.13 0.00 0.00 0.00 53 L H H 46.24 15.25 22.16 36.75 91.52 50.87 -63.52 -41.90 0.76 0.01 99.23 0.12 0.05 0.49 99.03 0.31 0.00 0.00 0.00 54 E H H 112.16 3.28 25.88 28.97 91.66 50.33 -64.59 -40.71 3.13 0.02 96.85 0.36 0.20 2.37 96.32 0.72 0.01 0.01 0.00 55 L H H 33.53 14.49 21.06 35.65 92.16 48.81 -66.83 -38.85 7.86 0.07 92.07 0.94 0.67 6.02 91.32 0.98 0.02 0.03 0.02 56 A H H 12.63 20.17 17.40 37.14 92.95 51.85 -68.45 -34.58 19.72 0.36 79.93 4.32 2.88 12.82 77.42 2.14 0.09 0.16 0.18 57 G H H 30.34 9.48 20.80 30.34 99.09 57.86 -55.54 -48.96 36.56 0.75 62.68 8.57 5.41 23.47 56.58 5.12 0.12 0.38 0.36 58 N H H 96.67 4.30 21.60 25.84 96.59 33.19 -76.55 -25.04 39.41 1.45 59.14 11.15 7.65 22.04 49.21 8.29 0.19 0.87 0.60 59 A H H 33.10 11.30 16.21 28.48 95.45 62.17 -71.27 -28.06 38.68 4.47 56.85 16.16 7.98 16.60 45.08 9.60 0.22 3.17 1.19 60 A H H 31.71 13.67 13.19 27.19 99.82 64.17 -77.21 -9.87 44.95 7.74 47.31 24.17 8.35 14.82 37.32 7.85 0.18 5.42 1.90 61 R C H 143.44 4.59 15.04 20.86 102.15 73.70 -81.68 -3.42 54.24 7.91 37.85 25.40 11.67 18.80 30.28 6.20 0.32 5.10 2.22 62 D C T 102.43 3.36 13.66 18.03 102.91 46.43 -87.02 35.40 71.58 3.28 25.14 27.21 16.33 28.42 19.67 5.25 0.06 1.88 1.18 63 N C C 91.40 6.34 11.25 18.95 106.59 81.10 -89.92 66.62 82.81 1.35 15.84 33.32 18.62 31.28 10.08 5.36 0.01 0.63 0.70 64 K C C 143.90 3.70 12.65 17.75 98.54 123.89 -77.07 -0.05 79.76 1.74 18.50 33.52 20.72 25.98 10.55 7.48 0.01 0.83 0.91 65 K C C 120.38 5.65 13.70 20.60 106.85 90.68 -87.68 39.98 74.31 4.02 21.68 36.51 19.69 18.64 12.29 9.02 0.03 2.28 1.53 66 T C C 67.97 10.30 14.12 24.99 107.15 66.52 -93.94 50.16 71.01 8.49 20.51 43.26 16.31 11.69 12.24 8.39 0.04 6.03 2.05 67 R C C 118.55 8.08 19.95 28.36 115.95 141.05 -98.15 134.59 65.62 16.41 17.97 41.53 16.00 8.22 11.57 6.86 0.05 12.57 3.19 68 I C C 25.06 21.28 13.96 34.79 112.42 -135.68 -91.62 121.15 65.85 23.21 10.94 49.93 11.59 2.98 8.50 3.34 0.03 12.81 10.82 69 I C C 57.61 9.12 21.96 31.59 120.50 -162.34 -97.27 148.81 89.46 2.04 8.50 82.37 5.56 0.82 9.27 0.41 0.00 1.03 0.53 70 P H H 54.89 13.55 16.31 30.03 92.47 -115.60 -57.59 -38.47 7.55 0.13 92.32 2.60 0.98 4.02 90.39 1.89 0.01 0.08 0.03 71 R H H 137.30 3.71 22.23 26.09 91.49 53.72 -63.68 -38.19 3.77 0.05 96.18 0.92 0.39 2.39 94.32 1.93 0.01 0.03 0.01 72 H H H 40.33 15.57 19.62 34.98 92.12 49.77 -66.22 -40.52 1.54 0.04 98.42 0.54 0.19 0.81 96.37 2.06 0.00 0.03 0.00 73 L H H 8.38 23.51 17.82 41.25 91.76 51.02 -64.02 -42.53 1.02 0.02 98.95 0.41 0.11 0.50 98.04 0.92 0.00 0.02 0.00 74 Q H H 75.47 9.73 23.47 33.23 91.41 51.78 -63.22 -41.52 1.23 0.03 98.74 0.31 0.11 0.76 97.87 0.92 0.00 0.02 0.00 75 L H H 52.35 6.92 23.95 31.69 91.57 50.67 -64.04 -41.96 1.66 0.05 98.29 0.32 0.16 1.14 96.89 1.45 0.00 0.03 0.01 76 A H H 6.47 19.33 18.01 38.00 91.99 50.92 -64.48 -41.15 3.27 0.09 96.64 0.73 0.34 2.14 94.89 1.83 0.01 0.06 0.02 77 I H H 28.77 18.20 18.00 35.78 92.91 48.70 -67.93 -37.25 8.58 0.21 91.21 1.46 0.89 6.26 88.60 2.55 0.05 0.13 0.07 78 R H H 143.27 4.26 21.09 25.78 92.78 53.36 -70.11 -28.83 25.15 0.18 74.67 2.05 2.47 20.66 72.74 1.83 0.08 0.07 0.11 79 N C T 80.14 7.10 17.28 25.10 102.23 34.86 -107.31 27.50 74.38 0.36 25.26 21.68 8.04 43.26 24.76 1.89 0.01 0.13 0.22 80 D H H 50.98 16.45 11.75 27.08 100.62 148.30 -69.81 20.15 26.39 0.28 73.33 20.19 3.57 3.57 70.18 2.24 0.00 0.11 0.13 81 E H H 134.36 1.88 19.24 20.67 93.30 59.14 -64.42 -39.36 5.37 0.07 94.57 1.46 0.72 3.15 91.59 3.01 0.01 0.03 0.02 82 E H H 87.43 5.77 18.85 25.40 92.19 50.33 -65.94 -40.19 3.29 0.09 96.62 1.13 0.38 1.84 93.66 2.90 0.01 0.07 0.02 83 L H H 7.99 22.16 12.49 34.78 91.80 50.83 -63.81 -42.17 1.96 0.08 97.95 0.72 0.28 1.01 95.78 2.13 0.01 0.06 0.01 84 N H H 64.12 11.05 16.99 28.55 91.32 52.83 -63.73 -38.56 2.83 0.08 97.09 0.80 0.30 1.72 95.04 2.06 0.01 0.06 0.01 85 K H H 143.07 1.50 21.21 21.46 92.10 52.01 -66.26 -39.00 4.55 0.08 95.37 0.56 0.39 3.70 92.97 2.28 0.02 0.06 0.02 86 L H H 46.95 13.96 17.20 31.16 94.78 45.14 -72.17 -38.71 7.01 0.12 92.86 0.55 0.67 6.01 91.16 1.44 0.06 0.07 0.04 87 L H H 23.79 19.85 14.32 33.51 97.67 36.11 -94.60 -14.76 26.52 1.18 72.29 4.56 4.74 18.62 68.74 1.95 0.29 0.52 0.57 88 G C T 40.11 4.42 19.36 24.59 107.84 -137.24 73.05 -100.81 73.92 3.02 23.06 16.79 12.44 44.28 16.99 6.51 0.06 2.02 0.91 89 K C T 135.39 3.88 19.63 24.15 115.68 9.38 -104.76 124.99 66.74 11.20 22.06 21.76 13.99 31.75 13.37 8.19 0.16 9.20 1.58 90 V C C 34.68 19.86 11.79 30.68 121.55 136.63 -112.55 132.30 62.22 22.50 15.28 50.03 7.43 3.56 11.46 4.30 0.03 21.14 2.06 91 T E E 71.85 5.97 22.38 28.91 119.56 -164.21 -110.84 133.66 41.36 45.49 13.15 34.48 3.17 2.17 11.03 2.89 0.02 42.46 3.77 92 I E E 50.47 18.13 13.87 31.16 114.08 -149.95 -96.12 122.11 32.72 47.09 20.19 24.41 4.41 3.77 15.45 5.77 0.08 42.61 3.49 93 A C E 52.04 9.31 16.44 26.28 110.52 -130.72 -82.77 130.25 40.57 33.12 26.31 24.60 7.65 10.05 12.54 12.83 0.11 30.02 2.20 94 Q C T 128.70 3.86 17.59 22.19 109.38 -5.39 -87.60 87.18 52.56 21.02 26.42 15.10 11.59 28.58 9.24 15.44 0.37 17.06 2.61 95 G C T 41.08 7.62 16.34 24.56 109.52 -22.36 90.40 0.55 72.95 7.35 19.69 16.19 16.06 41.78 5.19 13.46 0.07 5.57 1.68 96 G C C 27.18 11.51 16.75 28.43 122.73 95.87 116.95 -172.75 74.69 20.08 5.23 30.24 25.28 20.84 1.32 3.63 0.02 16.20 2.47 97 V C C 59.13 13.25 17.17 30.45 120.13 -83.65 -107.24 136.31 55.81 41.26 2.93 35.20 16.32 4.33 1.62 1.77 0.09 25.58 15.09 98 L C C 39.00 15.83 14.09 30.24 112.36 -138.24 -96.27 120.48 77.75 20.00 2.25 63.52 11.08 2.47 1.02 1.35 0.00 17.13 3.42 99 P C T 79.91 6.65 16.88 24.45 102.18 -140.59 -65.08 -12.77 81.25 10.45 8.30 17.95 12.31 51.50 2.94 4.81 0.02 9.08 1.38 100 N C T 117.85 3.08 17.97 21.52 97.19 29.65 -73.62 20.63 80.66 9.29 10.05 17.05 12.84 51.48 3.53 5.83 0.03 7.90 1.34 101 I C C 40.45 18.78 9.99 27.65 114.26 125.70 -92.38 127.08 64.94 21.55 13.51 51.17 8.66 4.80 7.52 6.38 0.05 16.78 4.65 102 Q C C 119.10 4.11 18.29 23.37 113.57 -163.63 -98.05 125.39 53.33 24.99 21.67 41.69 6.27 5.38 10.92 10.62 0.04 21.94 3.14 103 A C C 49.32 12.44 13.72 26.19 118.05 -142.01 -98.24 139.25 40.59 24.97 34.45 25.41 9.39 8.61 9.49 22.01 0.10 23.26 1.73 104 V C E 75.43 9.23 15.21 25.21 113.68 -145.47 -98.47 120.46 36.88 29.18 33.94 23.18 8.07 8.80 8.84 21.89 0.10 27.31 1.82 105 L C C 76.21 11.51 13.05 24.95 109.74 -153.05 -93.77 90.89 40.93 30.93 28.14 25.70 9.18 9.29 8.46 18.07 0.22 24.21 4.87 106 L C C 77.53 9.73 11.76 22.55 117.58 31.23 -105.20 128.86 82.45 17.20 0.35 75.53 5.51 0.80 0.14 0.20 0.00 15.94 1.88 107 P C C 88.03 5.08 15.86 22.08 111.66 -106.91 -66.77 144.54 99.70 0.29 0.01 99.56 0.14 0.05 0.00 0.00 0.00 0.23 0.01