# 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 H C C 116.26 6.43 13.49 21.32 116.70 -156.99 -97.88 131.18 99.91 0.08 0.01 99.80 0.11 0.04 0.00 0.00 0.00 0.04 0.01 1 R C C 158.06 3.78 12.74 18.34 113.36 -152.14 -94.00 127.62 96.50 2.45 1.06 93.28 1.30 2.34 0.36 0.41 0.00 1.24 1.08 2 Y C C 104.75 11.06 8.69 20.13 117.40 -141.14 -92.99 135.60 96.18 2.97 0.84 81.60 12.39 1.65 0.34 0.45 0.00 1.05 2.51 3 R C C 145.10 3.36 13.66 18.52 117.97 -142.79 -96.03 138.32 99.32 0.39 0.29 89.92 8.72 0.67 0.14 0.10 0.00 0.13 0.32 4 P C T 97.60 4.83 11.83 18.32 110.11 -101.85 -61.42 139.41 93.94 0.21 5.84 7.24 6.26 80.78 3.12 2.32 0.00 0.10 0.18 5 G C T 53.01 3.05 14.58 18.56 97.69 22.38 85.33 -3.13 92.40 0.19 7.41 8.06 7.13 77.46 4.43 2.69 0.00 0.10 0.13 6 T C C 44.30 8.99 11.51 22.33 115.06 123.47 -80.85 148.41 72.89 2.22 24.89 54.61 14.72 2.94 23.88 1.66 0.00 0.57 1.62 7 V H H 84.99 4.08 16.98 21.89 94.00 -130.65 -63.44 -39.19 4.83 0.06 95.11 2.01 0.93 1.96 94.27 0.78 0.00 0.02 0.02 8 A H H 31.80 10.57 15.78 27.64 92.26 52.34 -64.48 -41.21 2.46 0.04 97.50 0.86 0.32 1.26 96.68 0.85 0.00 0.02 0.01 9 L H H 43.93 11.36 15.48 28.07 91.87 49.98 -64.89 -40.75 1.04 0.01 98.95 0.36 0.12 0.50 98.37 0.63 0.00 0.01 0.00 10 R H H 117.61 3.49 19.30 23.03 91.77 51.23 -64.24 -41.14 0.60 0.00 99.39 0.18 0.06 0.28 99.23 0.24 0.00 0.00 0.00 11 E H H 83.30 5.31 19.16 25.20 91.77 50.29 -64.70 -41.13 0.82 0.01 99.17 0.18 0.07 0.46 99.09 0.20 0.00 0.00 0.00 12 I H H 33.37 14.36 15.58 30.73 92.11 50.40 -64.58 -41.84 0.93 0.01 99.06 0.19 0.07 0.53 98.96 0.24 0.00 0.00 0.00 13 R H H 115.67 5.83 18.50 25.23 91.74 51.95 -63.54 -40.62 1.41 0.01 98.58 0.25 0.12 0.87 98.17 0.59 0.00 0.00 0.00 14 R H H 131.51 2.48 19.32 21.36 92.26 50.42 -65.20 -40.27 4.33 0.02 95.65 0.48 0.32 3.25 94.85 1.08 0.01 0.01 0.00 15 Y H H 70.31 10.62 15.21 26.94 93.22 49.11 -68.41 -37.01 9.80 0.05 90.15 1.71 1.16 6.62 88.89 1.56 0.01 0.02 0.02 16 Q H H 71.19 12.31 14.27 26.78 93.09 57.13 -65.51 -37.21 19.77 0.19 80.04 6.47 2.76 10.56 76.69 3.32 0.02 0.08 0.09 17 K H H 144.98 1.80 18.05 19.37 93.36 53.26 -70.02 -31.91 34.78 0.25 64.98 6.11 4.74 24.07 60.64 4.17 0.04 0.10 0.14 18 S C H 54.80 5.02 16.40 22.27 101.99 44.32 -92.41 -11.90 56.72 0.42 42.86 23.52 7.52 25.90 38.63 4.00 0.01 0.15 0.27 19 T H H 34.51 16.21 13.00 28.66 95.89 86.61 -68.25 -36.28 23.11 0.23 76.66 13.01 5.27 5.66 73.48 2.37 0.00 0.08 0.11 20 E H H 106.48 6.26 17.46 24.79 93.20 62.72 -63.57 -39.01 7.94 0.08 91.98 2.35 1.32 4.41 88.59 3.25 0.02 0.04 0.03 21 L H H 73.43 4.26 18.64 23.53 92.69 51.63 -65.54 -40.87 4.93 0.08 94.99 1.43 0.73 2.92 90.89 3.93 0.02 0.06 0.02 22 L H H 32.94 13.54 15.97 30.39 92.51 51.11 -65.17 -41.66 3.23 0.05 96.72 0.90 0.45 1.87 92.36 4.37 0.01 0.04 0.01 23 I H H 31.52 17.24 14.95 31.98 92.63 50.94 -65.96 -39.11 4.62 0.04 95.33 0.68 0.46 3.28 87.94 7.59 0.01 0.03 0.01 24 R H H 141.81 4.43 18.87 24.27 92.47 54.30 -68.07 -29.74 22.04 0.04 77.92 0.87 1.00 20.21 71.83 6.02 0.03 0.02 0.03 25 K H H 118.10 5.04 18.54 24.21 96.34 49.56 -88.55 -11.39 47.38 0.07 52.55 1.99 2.79 42.17 47.75 5.17 0.03 0.03 0.07 26 L C C 26.43 18.78 12.25 30.54 109.28 97.89 -78.28 117.59 69.81 0.28 29.92 36.07 27.55 4.13 30.68 1.30 0.00 0.06 0.21 27 P H H 60.33 6.47 20.81 28.18 93.73 -142.86 -63.61 -34.21 21.58 0.09 78.33 7.85 2.38 10.97 76.43 2.27 0.01 0.04 0.05 28 F H H 36.98 17.81 17.53 34.77 92.69 54.49 -66.10 -38.15 8.25 0.04 91.72 2.30 0.87 4.87 89.90 2.02 0.01 0.02 0.02 29 Q H H 58.43 14.09 18.67 32.47 91.94 54.25 -63.28 -40.57 1.29 0.01 98.70 0.48 0.13 0.57 97.87 0.94 0.00 0.00 0.00 30 R H H 120.34 3.97 22.97 26.73 91.80 50.80 -64.87 -40.90 0.69 0.00 99.31 0.19 0.06 0.36 98.98 0.42 0.00 0.00 0.00 31 L H H 41.06 11.06 20.46 32.34 92.03 50.52 -64.61 -42.53 0.52 0.00 99.48 0.11 0.04 0.28 99.33 0.23 0.00 0.00 0.00 32 V H H 12.39 20.16 17.35 37.43 91.92 50.01 -63.84 -42.53 0.33 0.00 99.66 0.06 0.02 0.18 99.63 0.10 0.00 0.00 0.00 33 R H H 106.72 8.51 20.89 29.81 91.57 51.37 -63.14 -41.27 0.41 0.00 99.59 0.06 0.02 0.25 99.54 0.13 0.00 0.00 0.00 34 E H H 94.16 3.11 22.63 24.97 91.66 49.77 -64.57 -41.64 0.89 0.00 99.10 0.10 0.05 0.62 99.00 0.22 0.00 0.00 0.00 35 I H H 28.42 13.01 18.04 32.18 92.31 49.36 -65.04 -41.61 1.59 0.01 98.40 0.22 0.12 1.06 98.09 0.51 0.00 0.00 0.00 36 A H H 14.47 16.09 13.77 30.63 91.75 52.14 -64.54 -38.37 3.91 0.01 96.07 0.56 0.30 2.73 94.11 2.28 0.00 0.00 0.00 37 Q H H 116.50 2.82 18.03 21.27 92.29 53.17 -66.26 -35.51 15.53 0.03 84.44 0.89 0.83 13.68 80.22 4.34 0.02 0.01 0.02 38 D H H 97.03 2.81 16.79 19.85 94.29 50.64 -77.66 -23.16 28.16 0.06 71.78 1.95 2.05 24.00 68.14 3.76 0.03 0.03 0.04 39 F C H 68.13 12.95 10.59 23.70 103.23 57.53 -93.77 16.44 60.28 0.83 38.89 27.81 13.36 19.88 34.49 3.59 0.02 0.27 0.58 40 K C C 134.04 4.21 13.38 19.07 103.98 106.92 -71.62 58.49 83.63 1.01 15.36 58.66 8.07 16.09 12.63 3.43 0.00 0.47 0.65 41 T C C 90.40 4.47 11.50 17.39 103.53 83.47 -89.91 -4.16 81.61 0.91 17.48 40.11 21.44 20.27 11.22 5.98 0.00 0.37 0.60 42 D C C 100.38 3.63 12.94 17.54 105.31 60.25 -87.47 60.37 79.27 0.83 19.90 40.43 21.24 17.86 11.65 7.92 0.00 0.33 0.57 43 L C C 89.66 8.80 11.17 20.85 100.85 -153.78 -76.16 10.78 69.67 1.52 28.80 42.21 14.65 12.63 17.27 11.69 0.01 0.73 0.81 44 R C C 138.66 4.69 15.98 21.84 105.22 94.70 -84.38 17.86 66.12 3.17 30.71 42.42 12.41 10.95 20.66 10.50 0.01 1.72 1.32 45 F C C 69.52 14.98 12.09 26.61 104.47 66.36 -86.93 42.29 63.70 3.91 32.40 45.47 10.09 7.90 24.83 7.98 0.01 2.05 1.66 46 Q C C 88.29 7.01 16.94 24.68 110.22 123.11 -83.03 135.48 58.26 1.19 40.55 45.86 6.94 4.37 39.62 2.23 0.00 0.51 0.47 47 S H H 67.36 5.94 15.85 22.84 94.65 -101.99 -62.81 -37.94 14.34 0.12 85.54 6.69 3.16 4.60 84.17 1.28 0.00 0.04 0.05 48 S H H 65.18 3.15 19.61 22.54 92.72 51.62 -66.56 -38.88 5.35 0.04 94.61 2.12 0.81 2.34 93.80 0.90 0.00 0.02 0.02 49 A H H 17.59 13.92 16.18 31.10 92.24 50.98 -65.14 -41.77 1.85 0.02 98.13 0.81 0.23 0.79 97.58 0.58 0.00 0.01 0.00 50 V H H 28.06 15.79 17.43 33.37 91.91 50.14 -63.94 -42.40 0.78 0.01 99.21 0.31 0.09 0.33 99.01 0.24 0.00 0.00 0.00 51 M H H 93.40 3.98 22.93 26.73 91.59 50.20 -63.91 -41.47 0.48 0.00 99.52 0.17 0.05 0.21 99.45 0.12 0.00 0.00 0.00 52 A H H 39.57 6.62 21.48 28.96 91.70 50.72 -64.01 -41.74 0.39 0.00 99.60 0.11 0.03 0.20 99.58 0.08 0.00 0.00 0.00 53 L H H 25.53 17.95 18.44 36.17 92.16 50.19 -64.55 -41.75 0.27 0.00 99.73 0.06 0.02 0.14 99.72 0.06 0.00 0.00 0.00 54 Q H H 71.23 12.60 21.18 33.32 91.65 50.98 -62.68 -41.71 0.24 0.00 99.75 0.05 0.02 0.13 99.76 0.04 0.00 0.00 0.00 55 E H H 108.89 3.04 24.51 26.96 91.86 49.38 -65.09 -41.19 0.30 0.00 99.70 0.04 0.02 0.17 99.72 0.04 0.00 0.00 0.00 56 A H H 31.22 9.53 21.21 31.74 91.92 50.07 -65.15 -41.75 0.43 0.00 99.57 0.06 0.02 0.25 99.61 0.06 0.00 0.00 0.00 57 S H H 15.70 17.98 18.99 36.79 92.11 51.23 -64.35 -41.36 0.67 0.00 99.33 0.10 0.03 0.39 99.40 0.08 0.00 0.00 0.00 58 E H H 83.49 10.12 22.37 32.43 91.70 51.48 -63.62 -40.81 0.38 0.00 99.62 0.04 0.02 0.24 99.65 0.06 0.00 0.00 0.00 59 A H H 52.20 4.70 23.39 28.14 91.64 51.46 -64.76 -40.99 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 60 Y H H 72.48 12.88 21.63 34.25 92.15 49.94 -65.27 -41.80 0.14 0.00 99.86 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 61 L H H 24.53 19.13 19.86 38.35 91.98 50.05 -64.26 -42.54 0.16 0.00 99.84 0.01 0.00 0.10 99.83 0.05 0.00 0.00 0.00 62 V H H 59.56 8.40 22.59 31.47 91.82 50.54 -64.03 -41.97 0.23 0.00 99.77 0.02 0.01 0.15 99.74 0.08 0.00 0.00 0.00 63 A H H 41.23 6.05 22.57 29.32 91.60 50.71 -63.97 -41.56 0.77 0.00 99.23 0.06 0.04 0.58 99.03 0.29 0.00 0.00 0.00 64 L H H 24.29 17.11 19.42 36.43 92.18 49.90 -65.20 -42.08 2.45 0.00 97.55 0.19 0.13 1.95 97.09 0.64 0.00 0.00 0.00 65 F H H 42.72 17.19 18.66 35.27 92.64 50.38 -66.27 -40.13 6.23 0.04 93.72 1.11 0.70 4.18 92.60 1.35 0.01 0.02 0.02 66 E H H 110.34 4.66 22.19 27.22 92.51 51.82 -66.30 -37.57 17.01 0.12 82.86 2.71 1.86 12.11 81.41 1.76 0.04 0.06 0.06 67 D H H 69.10 8.64 20.68 29.46 96.21 46.68 -78.23 -27.75 33.68 0.25 66.06 7.17 4.34 21.59 64.41 2.23 0.03 0.10 0.13 68 T H H 24.69 19.20 17.13 35.30 98.31 53.94 -83.82 -23.33 44.94 0.83 54.23 18.37 8.98 17.99 50.76 3.10 0.04 0.34 0.42 69 N H H 72.46 11.20 21.82 32.57 95.19 85.47 -63.27 -31.47 34.01 0.85 65.15 17.08 4.90 12.66 61.01 3.55 0.03 0.43 0.35 70 L H H 58.76 9.05 22.53 31.97 93.48 65.64 -65.69 -40.51 13.03 0.72 86.26 5.48 2.36 6.15 79.37 5.86 0.08 0.50 0.20 71 C H H 17.37 15.90 19.01 35.31 92.60 51.41 -65.60 -41.05 7.70 0.94 91.37 2.91 1.29 4.01 83.13 7.59 0.07 0.84 0.15 72 A H H 18.85 13.94 17.34 32.25 92.45 52.34 -64.79 -39.85 7.46 1.17 91.36 2.84 1.23 3.84 83.14 7.57 0.07 1.16 0.16 73 I H H 82.01 6.29 19.93 26.71 93.05 50.29 -67.13 -40.13 11.31 1.56 87.13 3.34 1.78 6.78 80.95 5.37 0.15 1.37 0.26 74 H H H 96.35 7.68 18.28 26.51 94.26 47.16 -72.16 -29.05 23.88 1.71 74.41 5.63 3.94 15.39 69.64 3.47 0.28 1.12 0.52 75 A C H 30.66 14.14 12.45 26.84 97.50 54.09 -84.92 -5.76 61.91 1.53 36.56 17.73 10.59 32.80 34.65 2.77 0.06 0.71 0.68 76 K C T 157.51 2.31 17.81 20.78 96.02 -125.07 54.60 30.97 83.59 0.68 15.72 17.96 15.10 50.13 12.99 3.12 0.01 0.32 0.38 77 R C T 115.88 8.31 14.91 24.15 122.28 91.19 -118.94 135.06 89.58 1.74 8.68 31.74 26.37 31.93 5.41 2.94 0.00 0.89 0.72 78 V C C 84.49 9.27 15.01 24.89 100.10 -148.04 -91.87 -7.20 89.75 6.02 4.23 49.12 33.33 7.71 2.36 1.88 0.00 3.81 1.79 79 T C C 71.41 5.52 20.95 27.05 126.95 61.62 -119.79 143.78 88.78 8.58 2.64 61.50 23.07 4.45 1.15 1.50 0.00 6.26 2.06 80 I C C 31.37 20.95 12.21 32.56 111.31 -125.85 -89.94 119.78 89.62 8.27 2.11 74.62 13.00 1.56 1.13 1.06 0.00 4.28 4.35 81 M C C 71.87 7.35 20.09 28.07 124.33 -168.44 -100.40 154.84 98.15 0.42 1.43 93.54 4.31 0.14 1.63 0.05 0.00 0.14 0.18 82 P H H 79.19 7.16 16.59 24.93 90.97 -108.26 -57.97 -38.25 2.68 0.00 97.31 0.34 0.25 1.81 96.69 0.90 0.00 0.00 0.00 83 K H H 118.00 3.87 20.83 25.15 91.46 54.68 -64.32 -38.57 1.20 0.00 98.79 0.13 0.07 0.83 98.10 0.87 0.00 0.00 0.00 84 D H H 14.77 19.08 16.71 35.85 92.03 50.94 -65.13 -41.21 0.36 0.00 99.64 0.07 0.03 0.19 99.02 0.69 0.00 0.00 0.00 85 I H H 21.75 18.15 18.48 36.52 91.90 50.65 -64.29 -41.94 0.14 0.00 99.86 0.02 0.01 0.07 99.76 0.15 0.00 0.00 0.00 86 Q H H 91.44 3.83 24.92 28.43 91.31 50.79 -63.24 -42.18 0.18 0.00 99.82 0.02 0.01 0.10 99.80 0.07 0.00 0.00 0.00 87 L H H 33.05 10.87 21.85 33.84 91.73 50.28 -63.97 -42.54 0.23 0.00 99.77 0.02 0.01 0.14 99.75 0.08 0.00 0.00 0.00 88 A H H 4.65 21.34 16.97 38.92 91.26 51.29 -62.74 -42.78 0.41 0.00 99.58 0.06 0.02 0.24 99.54 0.14 0.00 0.00 0.00 89 R H H 90.21 9.51 20.52 30.48 91.53 51.12 -63.75 -40.81 1.13 0.01 98.86 0.17 0.08 0.72 98.64 0.39 0.00 0.00 0.00 90 R H H 131.02 3.30 21.04 24.34 91.99 50.63 -65.04 -40.69 2.38 0.02 97.60 0.34 0.18 1.65 97.11 0.70 0.00 0.01 0.00 91 I H H 44.38 14.25 16.20 30.70 92.74 49.55 -67.42 -38.12 6.61 0.05 93.34 0.65 0.59 5.12 92.85 0.74 0.01 0.02 0.02 92 R H H 88.57 12.18 15.05 27.41 95.62 46.15 -82.14 -10.98 35.15 0.20 64.65 2.54 3.69 28.20 63.97 1.34 0.06 0.07 0.13 93 G C T 49.76 4.09 15.19 20.39 100.59 -102.51 75.64 8.72 74.43 0.45 25.12 13.13 9.54 51.13 22.03 3.70 0.01 0.18 0.28 94 E C C 109.97 5.77 11.28 18.65 107.22 118.34 -83.64 93.02 76.38 1.26 22.36 42.01 14.86 19.59 15.14 7.10 0.00 0.56 0.73 95 R C C 155.50 4.07 10.98 16.88 109.23 74.10 -89.29 111.58 84.14 1.18 14.68 69.58 2.88 12.74 9.90 3.61 0.00 0.59 0.71 96 A C C 69.89 6.30 12.17 19.90 110.22 -135.17 -87.60 129.75 99.90 0.04 0.06 99.79 0.08 0.08 0.02 0.00 0.00 0.02 0.01