# 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 117.21 6.27 13.38 21.08 116.47 -157.48 -97.50 130.70 99.90 0.08 0.01 99.80 0.11 0.04 0.00 0.00 0.00 0.04 0.01 1 R C C 158.36 3.71 12.61 18.12 113.50 -152.11 -93.32 128.34 96.43 2.39 1.18 92.86 1.33 2.68 0.38 0.48 0.00 1.22 1.05 2 Y C C 106.67 10.76 8.56 19.76 117.18 -139.89 -92.50 135.16 96.31 2.78 0.91 80.97 12.88 1.94 0.35 0.52 0.00 1.00 2.33 3 R C C 145.82 3.28 13.42 18.22 118.20 -146.71 -97.36 137.57 99.32 0.40 0.28 88.84 9.79 0.66 0.14 0.10 0.00 0.13 0.34 4 P C T 98.14 4.66 11.73 18.06 110.13 -103.11 -61.65 139.67 94.50 0.23 5.27 7.96 6.52 80.37 2.68 2.18 0.00 0.10 0.18 5 G C T 53.25 2.94 14.37 18.25 97.77 22.73 85.21 -3.13 92.98 0.20 6.82 8.88 7.47 76.91 3.90 2.60 0.00 0.10 0.14 6 T C C 45.46 8.60 11.37 21.87 114.79 123.90 -80.02 149.65 73.88 2.18 23.94 54.82 15.54 2.86 23.05 1.59 0.00 0.55 1.59 7 V H H 86.96 3.80 16.55 21.18 93.86 -130.61 -63.15 -39.20 5.06 0.06 94.89 2.08 0.97 2.06 94.04 0.80 0.00 0.02 0.02 8 A H H 35.08 9.47 15.52 26.43 92.25 52.37 -64.44 -41.12 2.61 0.04 97.35 0.91 0.34 1.34 96.52 0.87 0.00 0.02 0.01 9 L H H 46.47 10.64 15.16 27.17 91.94 50.02 -64.96 -40.74 1.07 0.01 98.91 0.38 0.12 0.51 98.34 0.64 0.00 0.01 0.00 10 R H H 118.54 3.38 18.87 22.52 91.81 51.34 -64.08 -41.20 0.58 0.00 99.42 0.17 0.06 0.27 99.28 0.23 0.00 0.00 0.00 11 E H H 86.21 4.84 18.90 24.41 91.84 50.24 -64.79 -41.11 0.76 0.00 99.24 0.16 0.06 0.42 99.18 0.17 0.00 0.00 0.00 12 I H H 37.93 13.20 15.56 29.67 92.19 50.34 -64.81 -41.74 0.85 0.00 99.15 0.17 0.06 0.48 99.09 0.20 0.00 0.00 0.00 13 R H H 116.87 5.38 18.30 24.57 91.82 51.89 -63.62 -40.71 1.18 0.01 98.81 0.23 0.10 0.70 98.53 0.44 0.00 0.00 0.00 14 R H H 130.70 2.41 19.10 21.03 92.21 50.41 -65.01 -40.57 3.36 0.01 96.62 0.44 0.26 2.41 96.01 0.87 0.01 0.00 0.00 15 Y H H 73.39 10.01 15.21 26.42 92.78 49.30 -67.05 -38.28 7.19 0.04 92.77 1.31 0.83 4.75 91.82 1.25 0.01 0.01 0.02 16 Q H H 72.73 11.44 14.40 26.28 92.84 55.24 -65.68 -37.35 15.44 0.12 84.44 4.57 2.05 8.65 82.09 2.51 0.02 0.05 0.06 17 K H H 143.68 1.77 17.93 19.16 93.24 52.18 -69.90 -32.36 30.39 0.19 69.43 4.82 3.80 21.60 66.43 3.14 0.04 0.08 0.10 18 S C H 55.80 4.64 16.34 21.76 101.20 44.54 -91.45 -12.55 53.31 0.36 46.32 20.41 7.01 25.93 42.99 3.28 0.01 0.13 0.23 19 T H H 36.79 15.10 12.91 27.77 95.64 74.76 -67.55 -37.83 19.67 0.18 80.15 10.78 4.29 5.19 77.34 2.24 0.00 0.07 0.08 20 E H H 107.69 5.80 17.13 24.01 93.23 60.52 -63.74 -39.08 7.08 0.07 92.86 2.02 1.11 3.98 89.84 2.98 0.01 0.03 0.02 21 L H H 77.46 3.69 18.23 22.32 92.64 51.54 -65.50 -40.73 4.51 0.07 95.42 1.29 0.64 2.66 91.73 3.60 0.02 0.05 0.02 22 L H H 38.04 12.15 15.57 28.84 92.54 50.74 -65.62 -41.52 2.91 0.04 97.05 0.80 0.39 1.68 93.15 3.92 0.01 0.03 0.01 23 I H H 35.78 16.14 14.31 30.43 92.83 50.87 -66.35 -38.85 4.29 0.04 95.67 0.59 0.40 3.09 89.34 6.54 0.01 0.02 0.01 24 R H H 146.01 3.82 18.36 23.12 92.68 53.69 -68.22 -29.49 19.19 0.03 80.78 0.71 0.83 17.75 75.70 4.94 0.03 0.02 0.02 25 K H H 122.76 4.22 18.07 22.84 96.34 49.88 -85.34 -13.80 41.03 0.06 58.91 1.52 2.52 36.64 55.01 4.21 0.03 0.02 0.05 26 L C C 31.01 17.51 12.10 29.23 108.69 94.18 -82.80 105.71 73.44 0.29 26.27 37.15 30.10 4.04 27.23 1.20 0.00 0.06 0.22 27 P H H 61.49 6.14 20.27 27.37 94.12 -148.26 -63.43 -34.46 20.19 0.10 79.71 8.29 2.25 9.35 77.64 2.38 0.00 0.04 0.05 28 F H H 42.28 16.98 17.30 33.80 92.79 55.00 -65.95 -38.52 7.39 0.04 92.57 2.18 0.80 4.20 90.61 2.16 0.00 0.02 0.02 29 Q H H 60.05 13.57 18.44 31.86 91.84 54.01 -63.38 -40.40 1.35 0.01 98.65 0.48 0.14 0.62 97.61 1.14 0.00 0.00 0.00 30 R H H 120.81 3.86 22.53 26.23 91.94 51.00 -64.74 -40.88 0.69 0.00 99.30 0.19 0.06 0.36 98.91 0.48 0.00 0.00 0.00 31 L H H 44.29 10.47 20.29 31.59 92.03 50.52 -64.61 -42.51 0.54 0.00 99.46 0.11 0.04 0.30 99.30 0.25 0.00 0.00 0.00 32 V H H 14.31 19.40 17.23 36.62 91.97 50.28 -63.94 -42.47 0.36 0.00 99.64 0.06 0.02 0.20 99.60 0.12 0.00 0.00 0.00 33 R H H 108.32 8.11 20.67 29.29 91.56 51.40 -63.15 -41.32 0.43 0.00 99.57 0.06 0.02 0.27 99.50 0.14 0.00 0.00 0.00 34 E H H 94.45 3.08 22.31 24.65 91.63 49.78 -64.53 -41.66 0.93 0.00 99.06 0.11 0.06 0.64 98.95 0.24 0.00 0.00 0.00 35 I H H 31.55 12.47 17.90 31.52 92.31 49.45 -64.97 -41.61 1.68 0.01 98.31 0.23 0.13 1.11 97.96 0.56 0.00 0.00 0.00 36 A H H 15.28 15.50 13.66 30.05 91.78 52.27 -64.62 -38.63 4.26 0.02 95.72 0.62 0.33 2.98 93.70 2.35 0.00 0.00 0.00 37 Q H H 116.19 2.77 17.71 20.90 92.37 52.84 -66.07 -36.35 16.38 0.03 83.60 0.97 0.89 14.35 79.49 4.25 0.02 0.01 0.02 38 D H H 97.43 2.76 16.47 19.49 94.18 51.42 -75.90 -23.63 28.95 0.07 70.98 2.13 2.21 24.41 67.45 3.70 0.03 0.03 0.05 39 F C H 71.77 12.30 10.53 23.15 102.42 55.43 -92.95 7.71 61.55 0.83 37.62 28.48 13.53 20.19 33.47 3.47 0.02 0.27 0.58 40 K C C 139.58 3.72 13.38 18.59 102.51 -159.02 -67.40 56.56 86.03 0.90 13.07 59.50 8.95 17.00 10.46 3.09 0.00 0.41 0.58 41 T C C 86.98 4.96 11.13 17.59 107.85 102.73 -91.66 57.60 84.13 0.90 14.97 44.54 22.07 17.59 9.62 5.21 0.00 0.37 0.59 42 D C C 102.35 3.55 12.97 17.45 104.78 69.84 -85.30 45.71 79.22 0.88 19.90 43.43 20.63 15.39 11.90 7.70 0.00 0.36 0.59 43 L C C 90.70 8.33 11.22 20.54 101.35 71.16 -79.70 12.38 67.02 1.58 31.40 40.77 13.68 12.31 18.94 12.72 0.01 0.78 0.78 44 R C C 140.41 4.66 15.98 21.80 102.24 89.57 -80.08 23.37 61.87 3.44 34.68 40.74 10.63 10.12 23.22 12.01 0.02 1.95 1.31 45 F C C 66.18 15.08 11.61 26.30 106.39 69.59 -86.99 73.49 59.34 4.13 36.53 43.29 9.09 6.90 28.15 8.73 0.01 2.27 1.55 46 Q C C 90.55 6.52 17.11 24.36 110.41 137.33 -82.86 139.63 58.64 1.48 39.89 48.03 5.68 4.22 38.25 2.58 0.00 0.69 0.54 47 S H H 65.99 6.46 15.33 22.83 94.83 -114.08 -64.21 -38.04 13.49 0.13 86.38 7.03 2.86 3.80 85.03 1.18 0.00 0.05 0.05 48 S H H 68.37 2.60 19.41 21.51 92.92 51.56 -66.36 -38.98 4.78 0.04 95.18 1.89 0.72 2.07 94.46 0.83 0.00 0.02 0.01 49 A H H 21.86 12.28 16.35 29.84 92.44 50.91 -65.39 -41.69 1.79 0.02 98.20 0.76 0.22 0.77 97.69 0.56 0.00 0.01 0.00 50 V H H 25.01 16.60 16.52 33.25 92.00 50.04 -64.19 -42.37 0.76 0.01 99.24 0.30 0.09 0.32 99.06 0.23 0.00 0.00 0.00 51 M H H 93.38 4.15 22.30 26.46 91.48 50.32 -64.00 -41.47 0.46 0.00 99.53 0.16 0.04 0.21 99.48 0.10 0.00 0.00 0.00 52 A H H 45.33 5.04 21.79 27.27 91.52 50.53 -64.01 -41.74 0.36 0.00 99.64 0.10 0.03 0.18 99.62 0.07 0.00 0.00 0.00 53 L H H 26.11 17.27 18.41 35.63 92.12 49.98 -64.60 -42.01 0.21 0.00 99.79 0.05 0.01 0.11 99.79 0.04 0.00 0.00 0.00 54 Q H H 63.97 13.97 20.29 33.66 91.63 51.30 -62.71 -41.49 0.16 0.00 99.84 0.03 0.01 0.08 99.85 0.02 0.00 0.00 0.00 55 E H H 110.69 2.66 24.23 26.07 91.76 49.74 -64.90 -41.37 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 56 A H H 37.36 7.66 21.61 30.15 91.82 49.93 -65.08 -41.80 0.21 0.00 99.79 0.02 0.01 0.12 99.81 0.03 0.00 0.00 0.00 57 C H H 13.09 19.12 17.65 36.88 91.97 50.11 -64.46 -41.80 0.36 0.00 99.64 0.05 0.02 0.22 99.67 0.05 0.00 0.00 0.00 58 E H H 81.70 10.81 21.12 31.85 91.54 51.89 -62.92 -41.12 0.28 0.00 99.72 0.02 0.01 0.18 99.73 0.05 0.00 0.00 0.00 59 A H H 59.52 3.14 23.12 25.53 91.81 50.89 -64.81 -41.02 0.22 0.00 99.78 0.02 0.01 0.15 99.77 0.06 0.00 0.00 0.00 60 Y H H 81.46 11.12 21.21 32.38 92.18 49.02 -65.67 -41.69 0.24 0.00 99.76 0.02 0.01 0.16 99.74 0.08 0.00 0.00 0.00 61 L H H 22.81 19.43 18.47 37.39 92.24 49.46 -64.70 -42.24 0.35 0.00 99.65 0.03 0.01 0.24 99.60 0.11 0.00 0.00 0.00 62 V H H 61.65 8.15 21.31 30.00 91.92 50.85 -63.65 -41.86 0.66 0.00 99.34 0.06 0.04 0.46 99.20 0.24 0.00 0.00 0.00 63 G H H 30.85 4.45 21.98 26.73 91.81 50.91 -64.11 -41.29 3.21 0.00 96.78 0.25 0.17 2.58 96.16 0.83 0.00 0.00 0.00 64 L H H 31.81 15.14 18.82 34.13 92.30 50.07 -65.82 -41.66 6.60 0.02 93.38 0.55 0.45 5.33 92.09 1.53 0.01 0.01 0.01 65 F H H 45.19 17.05 17.47 34.03 92.64 50.49 -66.93 -39.36 11.73 0.15 88.12 2.97 1.80 7.20 85.11 2.74 0.04 0.07 0.07 66 E H H 114.10 4.18 21.34 25.91 92.79 53.56 -66.64 -36.56 23.79 0.31 75.90 5.25 3.20 15.37 72.94 2.88 0.06 0.15 0.15 67 D H H 75.92 6.94 20.30 27.49 96.56 46.39 -79.05 -24.09 39.25 0.39 60.36 10.10 5.55 23.56 57.26 3.12 0.03 0.17 0.20 68 T H H 26.85 18.55 16.15 33.75 98.17 57.75 -80.33 -24.44 45.99 0.86 53.14 21.01 9.16 16.20 49.40 3.40 0.03 0.37 0.42 69 N H H 74.40 10.20 20.89 30.92 94.94 82.01 -65.10 -32.06 32.09 0.89 67.02 16.87 4.89 11.26 62.68 3.46 0.03 0.45 0.35 70 L H H 66.35 7.59 21.79 29.77 93.07 60.19 -65.51 -40.89 11.55 0.62 87.83 4.79 2.12 5.54 81.63 5.26 0.07 0.43 0.17 71 C H H 22.04 13.89 18.38 33.04 92.54 51.24 -65.53 -41.01 7.07 0.83 92.10 2.71 1.19 3.70 84.93 6.53 0.06 0.75 0.13 72 A H H 20.01 12.87 16.39 30.55 92.46 52.31 -64.80 -40.52 6.99 1.05 91.96 2.72 1.15 3.58 84.88 6.43 0.06 1.04 0.14 73 I H H 85.43 5.47 18.84 24.88 92.88 50.24 -66.76 -40.30 10.49 1.39 88.11 3.27 1.67 6.10 82.85 4.54 0.12 1.21 0.23 74 H H H 105.02 5.92 17.51 24.18 93.75 48.22 -71.12 -31.16 22.35 1.48 76.17 5.48 3.55 14.19 71.98 3.15 0.23 0.98 0.44 75 A C H 35.37 12.38 12.27 25.27 97.22 53.04 -84.23 -7.82 59.55 1.18 39.28 14.84 9.51 34.13 37.76 2.62 0.06 0.53 0.54 76 K C T 160.15 2.10 17.03 19.75 95.83 -124.93 56.18 31.97 81.89 0.65 17.45 17.58 13.34 50.35 15.01 3.06 0.01 0.30 0.36 77 R C C 112.44 7.89 13.96 22.99 122.11 106.28 -116.70 138.56 88.46 1.82 9.72 35.51 25.00 28.22 6.52 3.05 0.00 0.90 0.80 78 V C C 92.37 7.84 14.31 23.15 100.14 -149.27 -91.21 -6.08 89.91 4.96 5.12 52.76 29.32 8.09 3.12 2.08 0.00 3.10 1.53 79 T C C 75.66 4.73 20.09 25.41 126.98 63.64 -118.66 145.04 89.52 7.36 3.12 59.20 25.66 5.04 1.45 1.65 0.00 5.21 1.79 80 I C C 38.56 19.78 11.55 30.63 111.36 -124.03 -87.73 121.45 89.63 7.58 2.79 71.45 15.87 1.81 1.62 1.30 0.00 3.82 4.14 81 M C C 73.36 6.85 18.52 26.28 124.49 -170.46 -97.51 155.07 97.35 0.39 2.26 92.47 4.42 0.18 2.57 0.06 0.00 0.13 0.17 82 P H H 84.84 5.41 15.99 22.74 90.86 -108.27 -57.62 -38.48 2.94 0.00 97.06 0.41 0.29 1.96 96.39 0.95 0.00 0.00 0.00 83 K H H 120.75 3.29 19.66 23.26 91.55 54.20 -64.28 -38.69 1.35 0.00 98.65 0.17 0.09 0.91 97.94 0.89 0.00 0.00 0.00 84 D H H 17.90 17.80 15.50 33.56 92.04 50.86 -65.57 -40.98 0.44 0.00 99.56 0.10 0.03 0.23 98.94 0.70 0.00 0.00 0.00 85 I H H 31.24 15.85 17.53 33.57 92.07 51.07 -64.12 -41.46 0.17 0.00 99.83 0.03 0.01 0.08 99.74 0.14 0.00 0.00 0.00 86 Q H H 96.09 2.83 23.84 25.70 91.29 50.74 -63.40 -42.19 0.17 0.00 99.83 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 87 L H H 40.61 9.17 20.44 30.98 91.74 50.04 -64.04 -42.33 0.18 0.00 99.82 0.02 0.01 0.11 99.80 0.06 0.00 0.00 0.00 88 A H H 6.61 19.67 15.34 35.70 91.30 51.26 -63.00 -42.43 0.29 0.00 99.71 0.03 0.01 0.17 99.69 0.09 0.00 0.00 0.00 89 R H H 108.19 7.09 19.37 27.21 91.47 51.14 -63.95 -40.70 0.80 0.00 99.20 0.11 0.05 0.51 99.08 0.25 0.00 0.00 0.00 90 R H H 142.95 2.23 19.30 21.03 92.09 50.29 -65.10 -40.37 1.92 0.00 98.08 0.23 0.13 1.33 97.78 0.53 0.00 0.00 0.00 91 I H H 56.10 11.82 14.37 26.93 92.90 48.74 -67.66 -37.74 5.96 0.02 94.02 0.61 0.49 4.45 93.70 0.72 0.00 0.01 0.01 92 R H H 104.36 10.16 12.40 23.20 95.21 48.12 -80.00 -18.25 32.25 0.11 67.64 2.67 2.74 25.92 67.49 1.04 0.02 0.03 0.08 93 G C T 54.84 2.72 13.66 17.49 100.26 -65.46 74.26 4.60 86.02 0.14 13.83 27.82 1.65 54.27 15.39 0.71 0.00 0.05 0.10 94 E C C 126.16 4.08 12.71 18.44 105.50 122.15 -82.14 63.96 99.95 0.02 0.03 99.86 0.06 0.05 0.01 0.00 0.00 0.00 0.00