# 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 L C C 86.11 9.61 11.80 22.15 113.27 -150.04 -91.52 126.27 99.69 0.26 0.05 99.66 0.11 0.05 0.02 0.00 0.00 0.11 0.04 1 R C C 148.73 4.60 11.54 17.76 110.97 -164.73 -90.27 123.22 80.40 2.95 16.65 72.78 1.95 7.63 6.39 8.09 0.00 1.83 1.33 2 D C C 103.28 3.90 11.47 17.01 107.96 -141.51 -88.29 87.67 67.92 2.46 29.62 34.26 13.80 20.83 6.82 21.89 0.01 1.35 1.04 3 N C C 100.58 4.95 13.24 19.47 104.46 56.27 -92.98 48.37 65.46 2.55 32.00 34.60 12.42 19.12 6.56 24.86 0.01 1.44 1.00 4 I C C 52.94 15.66 9.45 24.23 102.86 137.19 -92.81 19.32 65.12 5.86 29.02 44.09 8.65 12.08 6.66 22.59 0.01 3.58 2.33 5 Q C T 126.48 3.57 14.83 20.16 110.84 129.95 -76.71 122.77 83.77 4.23 12.01 19.54 9.33 55.30 4.74 6.69 0.03 2.62 1.75 6 G C T 53.53 3.22 17.27 21.09 98.30 20.26 83.95 -0.76 91.26 2.20 6.54 15.69 14.38 61.52 1.59 4.71 0.00 1.48 0.62 7 I C C 33.36 19.00 9.10 27.06 115.67 117.83 -90.84 128.71 94.56 4.38 1.06 79.42 14.00 0.80 0.69 0.38 0.00 1.71 3.01 8 T C C 70.84 3.36 20.53 23.42 122.14 -143.20 -88.18 160.11 96.90 2.08 1.02 94.84 1.88 0.28 0.92 0.11 0.00 0.65 1.32 9 K H H 112.44 9.76 13.79 24.39 92.62 -105.71 -58.63 -39.63 2.93 0.01 97.05 0.83 0.55 1.32 96.99 0.31 0.00 0.00 0.00 10 P H H 79.41 2.24 18.94 20.50 91.57 52.14 -63.30 -39.44 1.72 0.01 98.27 0.37 0.17 1.01 98.04 0.41 0.00 0.00 0.00 11 A H H 30.26 7.71 16.92 26.57 91.78 50.85 -64.60 -40.53 0.65 0.01 99.34 0.19 0.06 0.32 99.05 0.37 0.00 0.01 0.00 12 I H H 18.04 18.41 14.02 32.61 91.98 50.21 -64.45 -42.27 0.46 0.01 99.53 0.14 0.06 0.21 99.43 0.16 0.00 0.01 0.00 13 R H H 116.48 6.16 19.46 26.38 91.65 50.67 -63.51 -41.07 0.78 0.02 99.20 0.24 0.09 0.37 99.20 0.09 0.00 0.01 0.00 14 R H H 127.70 2.22 20.83 21.96 91.93 49.72 -64.61 -41.99 1.04 0.03 98.92 0.27 0.13 0.54 98.92 0.11 0.00 0.02 0.01 15 L H H 40.49 10.10 16.27 28.00 92.21 49.70 -64.86 -41.69 1.49 0.07 98.44 0.42 0.21 0.80 98.27 0.25 0.01 0.03 0.01 16 A H H 24.27 12.76 12.90 26.79 92.16 51.63 -63.75 -40.34 2.97 0.07 96.96 0.74 0.28 1.81 96.47 0.64 0.01 0.04 0.01 17 R H H 166.76 1.66 16.40 18.09 92.33 49.71 -66.40 -37.44 7.72 0.09 92.19 0.93 0.64 5.97 91.27 1.08 0.03 0.05 0.03 18 R H H 165.91 1.64 14.40 16.14 94.24 51.23 -72.72 -27.72 22.43 0.13 77.44 1.23 1.83 19.65 75.54 1.54 0.08 0.05 0.08 19 G C T 43.43 5.66 11.78 18.79 98.16 41.76 -89.54 -5.36 63.67 0.14 36.19 2.10 5.38 54.52 36.17 1.65 0.02 0.05 0.11 20 G C T 56.65 1.73 15.27 16.98 98.71 -114.55 79.19 13.73 98.63 0.33 1.04 30.06 11.28 57.50 0.36 0.51 0.00 0.20 0.10 21 V C C 50.98 13.00 7.41 20.40 114.02 149.23 -84.02 130.96 93.03 5.86 1.10 89.54 2.83 0.94 0.38 0.58 0.00 4.27 1.47 22 K C C 166.49 1.04 15.99 16.34 99.74 -172.93 -91.60 -23.04 92.07 7.11 0.82 57.02 31.93 3.40 0.17 0.71 0.00 6.04 0.73 23 R C C 156.92 2.28 16.50 19.41 126.83 19.40 -132.94 140.38 59.74 38.91 1.35 46.26 10.87 2.87 0.38 1.06 0.00 36.02 2.54 24 I E E 56.83 16.73 8.52 24.06 120.63 -166.41 -116.22 130.51 43.28 55.83 0.89 39.26 2.15 0.37 0.69 0.38 0.00 44.40 12.76 25 S C C 62.29 3.01 15.96 19.43 123.73 -161.24 -99.75 163.87 80.71 18.22 1.07 77.38 2.36 0.63 0.72 0.31 0.00 17.36 1.25 26 G H H 50.70 2.71 14.82 18.10 99.25 -39.17 -31.13 -50.96 30.01 0.41 69.57 3.60 7.21 20.02 63.06 5.50 0.20 0.19 0.22 27 L H H 107.19 2.33 14.85 17.32 93.53 42.43 -68.00 -35.72 18.37 0.20 81.43 2.37 2.52 13.74 75.14 5.93 0.11 0.10 0.10 28 I H H 60.00 8.19 13.82 23.55 92.77 52.67 -65.32 -41.29 9.39 0.20 90.41 2.84 1.42 5.60 84.33 5.58 0.04 0.12 0.07 29 Y H H 75.13 11.20 13.90 26.00 91.96 52.28 -63.24 -42.04 2.49 0.04 97.47 0.99 0.35 1.19 96.17 1.27 0.00 0.02 0.01 30 E H H 117.45 2.37 18.74 20.93 92.07 49.88 -64.64 -40.97 1.61 0.01 98.38 0.38 0.17 0.95 97.62 0.87 0.00 0.01 0.00 31 E H H 105.20 3.16 19.16 22.28 92.46 48.14 -65.83 -41.24 2.82 0.01 97.17 0.31 0.21 2.11 96.49 0.87 0.00 0.00 0.00 32 T H H 29.43 13.50 16.00 30.22 92.72 48.23 -66.72 -40.66 5.35 0.01 94.63 0.56 0.41 4.06 94.33 0.62 0.00 0.00 0.01 33 R H H 95.32 10.47 18.05 28.80 91.77 52.99 -63.22 -41.31 2.29 0.00 97.71 0.36 0.17 1.51 97.67 0.28 0.00 0.00 0.00 34 G H H 34.46 2.98 20.29 23.03 91.73 51.29 -63.63 -41.45 2.35 0.00 97.65 0.25 0.14 1.75 97.51 0.34 0.00 0.00 0.00 35 V H H 64.58 5.53 19.84 26.14 91.79 49.86 -64.62 -41.91 0.51 0.00 99.49 0.08 0.03 0.31 99.44 0.14 0.00 0.00 0.00 36 L H H 38.84 13.62 16.67 30.97 91.89 50.58 -64.17 -41.85 0.12 0.00 99.88 0.02 0.00 0.06 99.87 0.05 0.00 0.00 0.00 37 K H H 101.38 6.49 19.34 26.48 91.78 51.71 -63.70 -41.23 0.08 0.00 99.92 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 38 V H H 78.94 2.66 20.52 22.47 91.75 49.92 -64.07 -42.50 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 39 F H H 81.56 7.85 19.04 27.73 91.98 48.90 -64.77 -42.32 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 40 L H H 43.88 12.97 16.83 30.40 92.03 50.33 -64.81 -41.28 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 41 E H H 97.28 4.47 19.97 24.85 91.85 51.08 -64.08 -41.34 0.13 0.00 99.87 0.01 0.00 0.09 99.89 0.02 0.00 0.00 0.00 42 N H H 78.62 3.51 20.64 23.99 92.09 49.47 -65.81 -40.75 0.41 0.00 99.59 0.02 0.01 0.30 99.64 0.03 0.00 0.00 0.00 43 V H H 38.82 11.48 18.05 30.45 92.21 49.12 -64.75 -42.77 0.59 0.00 99.41 0.06 0.03 0.39 99.48 0.04 0.00 0.00 0.00 44 I H H 58.25 10.68 18.44 29.79 91.77 50.27 -63.89 -42.33 0.44 0.00 99.56 0.10 0.03 0.24 99.52 0.11 0.00 0.00 0.00 45 R H H 136.38 2.36 22.29 23.76 91.66 49.89 -63.95 -41.82 0.48 0.00 99.52 0.08 0.03 0.30 99.45 0.13 0.00 0.00 0.00 46 D H H 66.23 5.18 20.84 26.41 91.95 48.69 -65.40 -40.91 0.93 0.00 99.07 0.14 0.06 0.63 98.98 0.18 0.00 0.00 0.00 47 A H H 18.50 14.06 16.20 31.33 91.92 51.14 -63.96 -41.62 1.37 0.01 98.62 0.23 0.12 0.89 98.48 0.27 0.00 0.00 0.00 48 V H H 63.76 6.38 19.51 26.75 91.90 50.12 -64.45 -41.37 2.43 0.04 97.52 0.48 0.28 1.49 97.33 0.37 0.01 0.02 0.01 49 T H H 73.17 2.16 21.15 21.89 91.86 49.78 -64.41 -42.00 4.50 0.11 95.39 1.13 0.57 2.67 94.94 0.59 0.01 0.06 0.03 50 Y H H 80.01 7.53 17.07 25.93 92.43 48.76 -65.93 -40.81 6.00 0.22 93.78 1.76 0.93 3.47 92.31 1.31 0.03 0.13 0.06 51 T H H 29.55 11.53 12.77 25.79 92.11 51.68 -66.01 -39.07 8.64 0.22 91.14 3.02 1.19 4.48 89.14 1.96 0.02 0.13 0.06 52 E H H 127.72 1.98 16.42 18.36 92.49 52.25 -65.76 -38.45 13.97 0.14 85.89 2.45 1.50 9.66 84.16 2.06 0.03 0.07 0.05 53 H H H 140.14 1.47 14.47 15.60 94.01 47.80 -73.06 -26.65 24.25 0.18 75.56 3.14 3.12 17.91 73.86 1.76 0.05 0.07 0.10 54 A C T 47.58 8.63 8.92 18.63 99.84 59.26 -84.31 -4.57 65.90 0.53 33.57 14.51 14.69 34.93 33.36 1.97 0.02 0.17 0.35 55 K C T 178.84 0.59 14.37 13.55 96.16 -128.24 47.63 22.20 93.07 0.29 6.63 22.30 15.25 55.57 4.92 1.65 0.00 0.13 0.18 56 R C C 116.93 5.60 9.84 17.42 124.56 109.71 -111.63 147.11 93.81 0.97 5.23 61.01 21.80 11.01 2.85 2.27 0.00 0.41 0.65 57 K C S 162.73 1.97 13.70 16.57 97.02 -146.33 -82.30 -16.95 96.74 1.26 2.00 28.70 62.08 6.27 0.86 0.96 0.00 0.80 0.33 58 T C C 86.87 3.10 17.27 21.17 128.61 40.49 -131.51 143.98 72.62 24.80 2.58 43.87 25.65 4.37 1.22 1.53 0.00 19.48 3.87 59 V C C 33.07 18.08 10.00 27.54 119.03 -156.40 -111.29 129.53 66.77 32.33 0.90 61.73 4.94 0.27 0.86 0.23 0.00 24.33 7.64 60 T C C 63.21 4.09 21.40 25.20 124.32 -148.35 -92.20 163.28 82.20 17.18 0.62 82.68 1.10 0.12 0.61 0.08 0.00 13.50 1.91 61 A H H 53.57 11.40 13.92 26.02 91.11 -104.54 -58.36 -39.31 1.86 0.01 98.13 0.30 0.24 1.12 97.96 0.37 0.00 0.00 0.00 62 M H H 112.57 2.80 20.01 22.54 91.46 54.22 -64.16 -39.96 0.58 0.00 99.42 0.07 0.04 0.39 99.23 0.27 0.00 0.00 0.00 63 D H H 44.56 9.98 18.34 29.40 91.84 50.54 -65.37 -40.30 0.19 0.00 99.81 0.03 0.01 0.12 99.60 0.25 0.00 0.00 0.00 64 V H H 16.15 18.92 16.17 35.19 91.84 49.86 -64.27 -43.09 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 65 V H H 56.66 7.40 20.19 28.51 91.40 49.93 -63.51 -42.69 0.12 0.00 99.88 0.01 0.00 0.08 99.85 0.05 0.00 0.00 0.00 66 Y H H 108.20 3.07 22.14 24.58 91.71 49.07 -63.97 -42.06 0.24 0.00 99.76 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 67 A H H 15.07 11.69 16.40 30.13 91.36 50.93 -63.16 -42.75 0.58 0.00 99.41 0.06 0.03 0.40 99.31 0.20 0.00 0.00 0.00 68 L H H 34.59 13.06 14.81 28.97 92.03 49.91 -64.40 -40.76 1.82 0.01 98.18 0.26 0.14 1.23 97.75 0.61 0.00 0.00 0.00 69 K H H 134.15 2.55 16.75 19.93 91.90 50.55 -65.13 -39.19 4.84 0.02 95.14 0.63 0.35 3.49 94.20 1.31 0.01 0.01 0.01 70 R H H 154.12 2.49 14.96 18.15 92.78 51.33 -68.45 -31.64 13.80 0.06 86.14 1.13 1.01 11.31 85.05 1.43 0.02 0.03 0.03 71 Q C T 97.79 6.51 12.14 19.94 96.47 49.99 -86.98 -5.03 56.05 0.21 43.74 2.81 4.30 46.79 44.15 1.70 0.03 0.07 0.14 72 G C T 57.18 2.23 14.15 17.10 98.58 -111.56 78.58 12.72 95.12 0.30 4.58 18.40 9.43 67.57 3.34 0.99 0.00 0.14 0.13 73 R C C 121.81 6.48 11.27 19.52 119.08 131.60 -98.75 141.72 93.41 2.59 4.00 80.68 9.60 3.02 2.52 1.43 0.00 1.26 1.49 74 T C C 83.01 5.13 13.02 19.77 117.21 -139.33 -96.77 138.96 90.77 5.12 4.11 83.25 4.74 2.71 2.14 1.70 0.00 2.84 2.61 75 L C C 93.49 8.71 10.62 20.28 105.21 -140.40 -84.14 19.57 82.75 6.78 10.47 39.15 23.97 20.61 3.22 6.50 0.03 3.28 3.24 76 Y C T 154.63 4.17 11.67 17.20 109.84 39.14 -90.83 98.90 84.97 5.00 10.03 19.35 25.40 40.70 2.82 6.68 0.03 2.68 2.34 77 G C C 55.98 2.72 11.58 15.54 103.95 -15.44 80.51 5.28 89.69 3.27 7.04 35.03 24.01 31.01 1.41 5.46 0.00 1.66 1.42 78 F C C 135.80 4.75 8.50 14.89 107.05 103.62 -92.47 47.40 90.47 5.13 4.40 59.38 14.89 16.13 1.31 2.87 0.00 2.49 2.92 79 G C C 56.29 2.45 10.89 14.84 108.63 -70.95 88.13 11.45 96.57 2.04 1.39 80.21 4.39 12.16 0.35 0.82 0.00 1.28 0.80 80 G C C 51.77 3.60 12.61 17.82 111.75 -46.48 88.57 6.29 99.88 0.10 0.02 99.40 0.38 0.14 0.01 0.00 0.00 0.05 0.02