# 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 M C C 97.53 9.26 16.24 26.07 116.43 -154.71 -95.53 127.53 99.32 0.66 0.02 99.40 0.10 0.03 0.01 0.00 0.00 0.41 0.04 1 I C C 83.20 10.67 12.16 23.47 116.36 -156.33 -99.80 128.02 66.40 32.03 1.57 63.23 1.33 1.00 0.91 0.57 0.00 25.49 7.47 2 T C C 87.51 4.73 13.60 20.04 119.74 -166.74 -107.21 142.18 66.16 30.55 3.29 48.39 9.93 7.17 1.19 2.13 0.00 27.66 3.52 3 G C C 42.20 7.39 12.94 21.41 119.26 -26.21 91.68 169.42 79.69 16.90 3.41 44.10 22.64 13.52 0.79 2.68 0.00 14.13 2.13 4 R C C 152.34 5.06 15.05 21.27 108.13 -84.84 -93.67 70.93 80.61 14.36 5.03 46.38 19.94 14.97 1.29 3.84 0.01 9.90 3.67 5 G C C 34.67 9.69 12.42 22.75 120.44 -95.47 86.43 175.55 86.03 8.99 4.98 46.83 22.81 16.85 1.09 4.05 0.00 5.48 2.88 6 K C C 147.36 3.46 15.51 20.15 108.76 -73.33 -87.62 113.96 84.58 8.07 7.35 38.58 21.39 25.41 1.55 5.67 0.01 4.41 2.97 7 G C C 47.50 5.69 14.19 21.17 108.10 8.89 86.64 -0.78 86.92 5.64 7.44 34.05 23.95 29.55 1.43 5.87 0.01 2.97 2.17 8 G C C 37.52 9.13 12.35 22.20 117.72 -90.41 67.66 173.07 85.24 6.36 8.40 42.74 23.50 19.21 1.80 6.70 0.01 3.25 2.78 9 K C C 144.12 3.58 15.37 20.23 108.46 -110.46 -92.92 82.00 80.49 9.11 10.40 39.53 20.72 21.11 2.65 7.44 0.02 4.69 3.84 10 G C C 41.83 7.35 13.42 21.69 112.68 -46.28 74.96 -45.05 82.59 7.00 10.40 36.90 22.58 23.97 2.54 7.51 0.02 3.66 2.82 11 L C C 97.44 8.31 12.89 22.00 106.78 -33.42 -88.38 62.00 80.58 8.15 11.28 34.66 21.99 25.08 3.51 7.10 0.04 4.18 3.44 12 G C C 41.78 6.06 13.12 20.45 115.26 -12.38 79.77 -134.49 83.25 6.01 10.74 35.60 25.42 23.20 3.67 6.44 0.02 2.96 2.68 13 K C C 151.98 2.69 13.39 17.38 107.61 -64.07 -80.90 92.75 77.37 4.54 18.09 28.60 21.57 28.31 8.31 8.71 0.05 2.16 2.29 14 G C T 52.67 3.42 13.40 17.98 104.25 6.60 70.04 -6.23 76.75 2.37 20.88 22.88 20.56 34.15 11.01 8.92 0.04 1.11 1.35 15 G C C 41.02 6.41 13.01 20.64 109.07 -31.80 51.00 -55.29 66.58 2.29 31.13 30.43 17.79 19.52 19.82 10.09 0.05 0.99 1.32 16 A C H 53.51 8.92 11.72 21.67 109.53 21.65 -82.16 132.91 49.65 3.38 46.98 28.58 11.46 11.31 35.69 9.80 0.08 1.82 1.27 17 K H H 127.11 4.40 14.73 20.39 107.25 -122.82 -81.18 91.35 40.11 4.72 55.17 25.29 8.12 8.94 44.35 8.82 0.07 3.10 1.31 18 R H H 134.06 5.79 14.72 21.65 105.78 51.45 -76.32 27.69 33.49 4.99 61.51 22.73 6.00 7.04 52.09 7.36 0.05 3.59 1.15 19 H H H 82.95 11.69 13.43 25.39 106.57 54.03 -78.34 56.55 30.32 3.79 65.89 22.10 4.72 5.66 58.89 5.09 0.02 2.70 0.82 20 R H H 115.35 9.71 15.11 25.26 100.06 54.85 -75.29 -26.30 21.37 2.46 76.16 15.31 3.34 4.51 70.24 4.29 0.02 1.84 0.44 21 K H H 117.35 4.82 17.34 22.98 99.12 52.58 -72.72 -33.82 16.27 2.87 80.86 10.75 2.64 4.32 74.72 4.67 0.03 2.44 0.43 22 V H H 56.69 9.96 15.49 26.39 99.68 51.19 -73.99 -35.98 14.31 3.37 82.31 9.04 2.31 4.18 76.13 4.82 0.04 3.05 0.44 23 L H H 50.31 14.14 13.91 28.10 99.36 51.08 -76.32 -26.62 16.22 2.88 80.90 9.86 2.72 5.12 73.72 5.60 0.05 2.45 0.49 24 R H H 120.28 8.62 16.23 25.40 97.66 54.17 -72.38 -30.94 20.45 1.98 77.57 9.68 3.70 8.57 69.16 6.83 0.09 1.47 0.50 25 D H H 92.96 4.69 17.18 22.68 98.68 51.46 -78.30 -20.71 30.72 1.07 68.21 8.54 5.29 17.73 59.08 8.12 0.18 0.65 0.41 26 N H H 79.35 8.95 16.78 26.11 101.51 40.31 -93.77 17.59 46.12 1.24 52.65 13.25 7.15 26.46 43.18 8.57 0.12 0.69 0.58 27 I C C 36.81 19.44 11.58 29.65 101.43 93.60 -90.21 16.15 59.19 5.59 35.22 30.61 9.37 20.23 24.80 9.27 0.14 3.05 2.54 28 Q C T 120.71 4.55 17.40 23.49 107.03 128.58 -73.53 114.31 80.75 3.31 15.94 13.60 8.10 58.32 11.46 5.06 0.07 2.03 1.38 29 G C T 49.00 4.79 19.23 24.52 98.60 23.14 83.29 -1.93 90.87 1.62 7.50 12.93 12.34 66.00 3.22 3.86 0.01 1.10 0.54 30 I C C 23.43 21.68 10.19 30.94 115.94 116.94 -90.04 128.89 93.48 5.21 1.31 78.23 13.99 0.93 0.93 0.43 0.00 2.12 3.37 31 T C C 67.40 4.32 22.26 26.23 123.35 -144.96 -89.79 159.90 95.55 3.20 1.25 93.42 1.90 0.35 1.12 0.14 0.00 1.02 2.04 32 K H H 103.10 12.08 14.87 27.06 92.51 -104.49 -58.54 -39.84 2.73 0.02 97.25 0.72 0.50 1.30 97.12 0.34 0.00 0.01 0.00 33 P H H 76.59 2.68 20.76 22.83 91.56 52.54 -63.37 -38.90 1.54 0.01 98.45 0.30 0.15 0.94 98.16 0.44 0.00 0.00 0.00 34 A H H 23.76 10.47 17.96 30.05 91.77 51.10 -64.80 -41.01 0.61 0.01 99.38 0.15 0.06 0.32 99.06 0.39 0.00 0.01 0.00 35 I H H 11.17 21.81 15.16 37.00 91.96 50.10 -64.50 -42.33 0.45 0.01 99.54 0.13 0.06 0.21 99.43 0.17 0.00 0.01 0.00 36 R H H 109.69 8.24 21.03 29.55 91.48 50.84 -63.36 -41.31 0.80 0.02 99.17 0.23 0.10 0.41 99.14 0.10 0.00 0.01 0.00 37 R H H 120.85 2.97 22.70 24.95 91.84 50.01 -64.47 -42.02 1.08 0.04 98.88 0.26 0.14 0.61 98.82 0.14 0.00 0.02 0.01 38 L H H 27.51 13.74 17.53 32.29 92.13 50.03 -64.64 -42.06 1.62 0.08 98.30 0.44 0.24 0.91 98.02 0.31 0.01 0.04 0.02 39 A H H 19.46 15.91 14.25 30.57 92.12 51.48 -64.16 -39.90 3.43 0.09 96.48 0.78 0.33 2.23 95.83 0.75 0.01 0.05 0.02 40 R H H 162.30 2.21 18.10 20.69 92.43 49.88 -66.61 -36.74 9.20 0.12 90.68 0.97 0.77 7.36 89.61 1.14 0.04 0.06 0.04 41 R H H 153.28 2.76 16.22 19.54 94.40 51.53 -73.40 -24.43 30.41 0.20 69.39 1.58 2.61 26.21 67.53 1.76 0.11 0.08 0.13 42 G C T 35.87 9.52 13.51 23.61 98.93 41.72 -89.46 -4.61 68.81 0.19 31.00 2.56 6.67 57.90 30.70 1.92 0.02 0.07 0.15 43 G C T 49.71 3.44 17.58 21.47 98.72 -113.02 80.24 11.42 97.83 0.49 1.68 31.91 14.99 51.20 0.61 0.85 0.00 0.28 0.16 44 V C C 35.92 17.25 8.75 25.20 113.97 146.03 -84.06 129.01 90.23 7.79 1.98 84.74 4.08 1.48 0.78 1.06 0.00 5.78 2.07 45 K C C 156.92 1.72 18.46 20.20 100.17 -173.97 -90.62 -24.22 87.91 10.04 2.05 56.11 27.43 4.62 0.62 1.50 0.00 8.68 1.03 46 R C C 141.25 3.86 19.22 23.99 127.46 18.86 -133.08 140.36 57.57 39.69 2.74 43.99 10.08 4.05 1.08 1.84 0.01 36.36 2.61 47 I E E 39.15 20.22 10.22 29.01 118.95 -166.73 -114.60 126.37 46.36 51.83 1.81 41.63 2.59 0.66 1.41 0.72 0.00 43.09 9.90 48 S C C 57.17 4.57 18.06 23.31 125.71 -162.16 -110.16 164.89 76.35 21.57 2.08 71.45 3.20 1.08 1.55 0.59 0.00 20.42 1.70 49 G H H 47.11 3.81 17.21 21.48 102.73 -9.34 37.53 -66.61 36.08 1.01 62.92 6.04 10.90 20.88 55.03 5.88 0.31 0.53 0.43 50 L H H 96.23 4.29 16.77 21.73 94.06 26.20 -69.65 -33.48 22.28 0.52 77.20 3.98 3.82 15.33 69.80 6.36 0.19 0.31 0.22 51 I H H 40.13 13.20 15.23 29.14 92.57 53.91 -65.19 -40.65 13.47 0.72 85.80 4.93 2.36 7.32 78.09 6.47 0.08 0.54 0.20 52 Y H H 62.52 14.61 15.44 30.06 91.86 52.68 -63.42 -42.22 5.23 0.38 94.39 2.63 0.89 2.27 91.37 2.43 0.02 0.33 0.06 53 E H H 117.82 2.93 20.51 23.42 92.00 49.39 -64.84 -40.50 3.82 0.24 95.94 1.32 0.53 2.10 93.88 1.90 0.01 0.22 0.04 54 E H H 98.67 4.96 20.59 25.77 92.85 46.64 -66.74 -40.92 5.88 0.16 93.96 1.08 0.62 4.07 92.18 1.86 0.02 0.12 0.04 55 T H H 16.93 18.45 16.68 34.98 93.46 46.45 -68.77 -40.42 10.05 0.12 89.82 1.61 1.04 7.18 88.83 1.21 0.02 0.06 0.05 56 R H H 85.35 13.85 19.23 32.49 91.93 53.27 -62.37 -41.34 4.71 0.04 95.25 1.14 0.50 2.91 94.93 0.50 0.00 0.02 0.01 57 G H H 33.56 3.48 22.51 25.73 91.68 51.02 -63.69 -41.52 3.46 0.02 96.52 0.52 0.28 2.53 96.04 0.61 0.00 0.01 0.00 58 V H H 50.33 9.03 21.38 31.05 91.78 49.39 -65.00 -42.35 0.75 0.01 99.24 0.16 0.06 0.45 99.06 0.27 0.00 0.00 0.00 59 L H H 18.27 19.57 17.91 37.36 91.83 50.76 -64.39 -42.19 0.19 0.00 99.81 0.04 0.01 0.09 99.77 0.08 0.00 0.00 0.00 60 K H H 93.98 9.29 21.31 30.80 91.67 51.87 -63.31 -41.40 0.12 0.00 99.88 0.02 0.01 0.07 99.87 0.04 0.00 0.00 0.00 61 V H H 73.94 3.67 23.13 26.23 91.59 49.94 -64.13 -42.47 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 62 F H H 57.57 12.41 20.79 33.34 91.87 49.01 -64.72 -42.57 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 63 L H H 23.58 18.48 18.43 36.81 91.84 49.84 -64.56 -41.90 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 64 E H H 89.89 6.70 22.14 29.16 91.67 51.42 -63.98 -41.23 0.11 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 65 N H H 71.64 5.11 23.02 28.16 92.02 49.36 -65.93 -40.57 0.29 0.00 99.71 0.02 0.01 0.21 99.74 0.02 0.00 0.00 0.00 66 V H H 22.67 16.20 19.60 36.05 91.84 49.55 -64.73 -43.08 0.35 0.00 99.65 0.04 0.02 0.22 99.69 0.03 0.00 0.00 0.00 67 I H H 40.72 15.08 20.07 35.00 91.57 50.35 -63.46 -42.56 0.29 0.00 99.71 0.05 0.02 0.16 99.70 0.07 0.00 0.00 0.00 68 R H H 131.40 3.15 24.39 27.14 91.47 50.00 -63.67 -41.89 0.37 0.00 99.63 0.05 0.02 0.24 99.61 0.08 0.00 0.00 0.00 69 D H H 57.31 7.42 22.63 30.52 91.85 48.49 -65.50 -40.80 0.82 0.00 99.17 0.10 0.05 0.57 99.15 0.12 0.00 0.00 0.00 70 A H H 10.86 18.29 17.44 36.24 91.92 51.18 -63.79 -41.92 1.36 0.01 98.63 0.21 0.11 0.90 98.54 0.23 0.00 0.00 0.00 71 V H H 55.49 8.77 20.99 30.37 91.66 50.14 -64.23 -41.93 2.64 0.05 97.30 0.53 0.30 1.64 97.08 0.40 0.01 0.03 0.01 72 T H H 70.64 2.62 23.01 24.39 91.65 49.61 -64.45 -42.31 4.94 0.14 94.92 1.25 0.64 2.95 94.39 0.63 0.02 0.08 0.04 73 Y H H 61.38 10.60 18.26 29.87 92.47 48.45 -66.13 -40.91 6.54 0.27 93.19 1.96 1.04 3.76 91.65 1.32 0.04 0.15 0.07 74 T H H 23.23 14.38 13.73 28.99 92.05 51.48 -65.48 -38.65 9.34 0.27 90.39 3.40 1.30 4.75 88.28 2.00 0.02 0.16 0.08 75 E H H 125.04 2.47 17.94 20.55 92.33 52.39 -65.17 -38.42 14.96 0.17 84.87 2.71 1.62 10.30 83.04 2.14 0.04 0.09 0.07 76 H H H 132.06 2.16 15.97 18.11 93.82 48.10 -75.11 -25.51 25.14 0.24 74.63 3.50 3.30 18.32 72.71 1.89 0.06 0.09 0.12 77 A C T 39.78 11.66 9.50 21.50 100.04 61.64 -82.68 -3.80 65.64 0.71 33.65 16.40 14.12 33.64 33.02 2.12 0.03 0.24 0.44 78 K C T 176.22 0.75 15.77 15.22 95.91 -130.97 38.97 20.58 91.81 0.44 7.74 24.50 14.03 53.33 5.88 1.81 0.00 0.19 0.25 79 R C C 106.17 7.35 10.73 19.79 124.78 109.31 -111.25 148.21 92.31 1.44 6.25 61.03 20.15 11.13 3.64 2.53 0.00 0.62 0.90 80 K C S 157.63 2.54 15.04 18.73 96.87 -147.83 -83.51 -16.54 95.68 1.60 2.73 28.75 59.56 7.63 1.42 1.21 0.00 1.02 0.43 81 T C C 79.89 4.14 19.02 24.09 129.63 39.62 -131.48 145.31 69.97 26.71 3.32 40.36 25.80 5.36 1.83 1.75 0.02 20.80 4.08 82 V C C 21.98 20.91 11.40 31.78 119.00 -153.21 -108.81 129.39 63.87 34.67 1.46 58.00 5.35 0.37 1.40 0.35 0.00 26.31 8.22 83 T C C 56.75 5.53 23.76 29.13 125.47 -151.19 -95.33 163.66 78.49 20.48 1.03 78.62 1.25 0.19 1.02 0.13 0.00 16.33 2.47 84 A H H 40.68 15.30 15.42 30.74 90.96 -103.49 -58.17 -38.99 2.24 0.01 97.75 0.38 0.30 1.39 97.45 0.46 0.00 0.00 0.00 85 M H H 101.17 4.71 22.09 26.87 91.50 54.71 -63.70 -40.00 0.80 0.00 99.20 0.10 0.06 0.56 98.93 0.35 0.00 0.00 0.00 86 D H H 38.57 12.03 20.38 32.95 91.86 50.35 -65.28 -40.53 0.26 0.00 99.74 0.05 0.02 0.16 99.47 0.31 0.00 0.00 0.00 87 V H H 8.18 22.50 17.93 40.35 91.77 49.64 -64.27 -43.52 0.11 0.00 99.89 0.02 0.01 0.07 99.82 0.09 0.00 0.00 0.00 88 V H H 44.48 10.73 21.66 32.99 91.42 49.87 -63.41 -43.01 0.13 0.00 99.86 0.02 0.01 0.09 99.84 0.05 0.00 0.00 0.00 89 Y H H 98.85 4.06 23.89 27.78 91.43 49.05 -63.83 -42.31 0.21 0.00 99.78 0.02 0.01 0.14 99.75 0.07 0.00 0.00 0.00 90 A H H 10.63 13.96 17.74 33.40 91.49 50.73 -62.96 -42.87 0.48 0.00 99.52 0.05 0.02 0.32 99.44 0.15 0.00 0.00 0.00 91 L H H 24.25 16.10 15.85 32.51 92.07 49.70 -64.17 -41.47 1.40 0.01 98.59 0.21 0.11 0.93 98.29 0.44 0.00 0.00 0.00 92 K H H 128.57 3.68 17.68 22.34 91.87 50.45 -64.90 -39.41 3.77 0.01 96.21 0.46 0.26 2.75 95.53 0.98 0.00 0.00 0.01 93 R H H 150.65 3.03 16.04 19.99 92.57 51.30 -68.57 -31.56 12.20 0.05 87.75 0.89 0.81 10.20 86.94 1.11 0.02 0.02 0.02 94 Q C H 90.05 8.17 12.96 22.17 95.88 49.00 -87.15 -5.77 53.71 0.20 46.08 2.76 4.19 44.67 46.67 1.47 0.03 0.07 0.14 95 G C T 56.80 2.40 15.48 18.43 98.36 -113.88 78.68 13.30 96.55 0.33 3.12 20.49 9.01 67.47 1.96 0.78 0.00 0.16 0.12 96 R C C 110.23 8.52 12.24 22.11 120.87 134.14 -99.39 141.92 94.06 2.58 3.36 81.79 9.49 2.77 1.87 1.37 0.00 1.27 1.45 97 T C C 77.83 6.28 15.63 23.20 118.48 -139.72 -96.26 141.37 91.05 5.31 3.64 84.07 4.31 2.60 1.70 1.65 0.00 2.97 2.69 98 L C C 72.47 13.52 12.36 25.58 104.32 -134.80 -81.76 8.27 82.61 7.67 9.72 39.43 23.37 20.67 2.61 6.55 0.04 3.73 3.60 99 Y C T 134.21 7.25 14.08 22.17 108.57 42.70 -88.42 95.19 83.71 6.41 9.88 18.98 25.18 40.08 2.42 6.97 0.05 3.54 2.78 100 G C C 52.32 3.87 13.50 18.65 103.81 -17.95 81.45 3.62 88.59 4.11 7.30 35.36 23.72 29.86 1.32 5.92 0.00 2.14 1.68 101 F C C 122.00 6.98 9.69 17.94 107.27 109.70 -92.90 50.44 89.09 6.33 4.58 58.14 14.93 15.88 1.31 3.11 0.00 3.11 3.51 102 G C C 54.67 2.97 12.10 16.60 108.36 -51.09 89.89 9.85 95.48 2.81 1.71 77.58 5.02 13.06 0.43 1.05 0.00 1.76 1.10 103 G C C 49.96 4.37 13.37 19.33 112.25 -48.81 86.86 -6.22 99.81 0.16 0.03 99.16 0.50 0.19 0.01 0.01 0.00 0.09 0.03