# 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 74.62 4.14 10.13 15.96 113.51 -145.66 -88.27 136.97 99.94 0.04 0.03 99.85 0.07 0.04 0.01 0.00 0.00 0.01 0.01 1 K C C 158.62 1.70 8.67 11.68 110.39 -138.10 -88.32 119.96 87.46 0.89 11.65 81.28 1.29 6.52 6.35 3.61 0.00 0.42 0.54 2 H C C 139.55 2.74 6.72 11.15 113.48 -164.12 -96.09 121.09 76.57 1.65 21.77 52.82 11.43 12.26 10.94 10.81 0.00 0.83 0.90 3 L C C 121.24 2.53 8.01 12.22 111.03 -147.12 -84.32 128.36 63.53 1.90 34.57 45.01 8.56 9.61 15.00 19.95 0.00 1.06 0.79 4 K C C 153.12 1.92 8.71 12.05 109.15 -141.32 -87.89 112.05 60.14 2.37 37.49 37.50 10.60 11.80 17.58 20.25 0.01 1.33 0.93 5 F C C 144.23 3.71 7.91 13.31 110.55 52.72 -93.19 110.15 61.59 4.91 33.51 39.24 11.07 11.23 17.19 16.58 0.03 2.98 1.69 6 I C C 124.09 3.05 9.22 13.88 111.85 70.54 -95.02 116.34 69.29 7.07 23.65 46.85 12.85 9.39 16.29 7.77 0.04 4.53 2.29 7 A C C 80.55 3.44 9.18 14.45 115.29 -109.43 -96.14 133.52 78.62 7.44 13.93 54.76 13.16 10.38 9.17 5.00 0.01 6.23 1.28 8 R C C 155.69 3.80 10.58 16.14 115.01 -159.33 -99.83 131.05 77.82 15.94 6.25 59.07 13.57 4.52 3.54 2.52 0.01 15.59 1.19 9 T C C 92.01 4.91 10.80 17.63 120.45 -149.57 -109.15 136.32 52.08 45.93 1.99 46.85 3.15 0.98 1.19 0.71 0.00 45.23 1.88 10 V E E 75.31 8.10 10.57 20.31 120.36 -163.72 -117.27 131.60 38.44 60.82 0.73 36.25 1.39 0.33 0.52 0.22 0.00 59.83 1.46 11 M E E 128.89 2.75 14.83 18.65 114.74 -139.83 -90.93 129.37 40.84 58.57 0.59 38.81 1.16 0.35 0.37 0.19 0.00 57.78 1.34 12 V C C 57.41 11.97 7.68 20.05 119.37 -164.07 -110.76 131.27 66.51 32.54 0.95 63.58 1.79 0.48 0.57 0.31 0.00 31.65 1.62 13 Q C C 131.22 2.03 12.42 15.48 116.42 -169.25 -102.35 126.66 73.56 21.08 5.36 47.45 14.31 12.17 1.71 3.52 0.01 18.77 2.07 14 E C T 162.77 0.94 12.93 13.52 100.55 -7.33 3.89 65.95 90.78 2.02 7.20 8.40 23.34 59.54 1.54 5.19 0.01 1.35 0.64 15 G C T 55.12 2.74 12.82 16.65 99.94 -15.14 81.81 -1.90 92.20 1.42 6.38 15.87 32.64 44.19 1.19 4.76 0.00 0.80 0.56 16 N C C 86.81 3.83 14.40 19.37 109.23 111.43 -99.21 104.95 91.72 3.72 4.57 83.02 6.43 2.12 3.43 1.13 0.00 1.49 2.37 17 V H H 58.71 12.69 10.92 24.07 94.60 -169.37 -65.95 -36.66 5.81 0.08 94.11 2.63 1.15 2.26 93.06 0.84 0.00 0.03 0.03 18 E H H 121.05 2.63 17.61 20.53 91.79 54.21 -63.07 -40.93 2.18 0.01 97.80 0.46 0.22 1.35 97.04 0.92 0.00 0.01 0.00 19 G H H 30.55 2.83 17.93 21.04 91.40 49.73 -64.14 -40.63 1.22 0.01 98.76 0.27 0.11 0.73 97.69 1.19 0.00 0.01 0.00 20 A H H 20.91 11.66 13.72 27.09 91.95 51.83 -63.66 -42.25 0.91 0.01 99.08 0.21 0.08 0.50 98.49 0.72 0.00 0.00 0.00 21 Y H H 92.91 9.56 16.98 27.08 91.92 50.70 -64.15 -41.43 0.69 0.00 99.30 0.14 0.06 0.37 99.25 0.18 0.00 0.00 0.00 22 R H H 144.06 1.78 20.31 21.01 91.72 50.42 -64.35 -41.32 0.43 0.00 99.57 0.09 0.03 0.21 99.62 0.05 0.00 0.00 0.00 23 T H H 61.01 4.62 18.67 23.90 91.88 49.20 -64.87 -41.89 0.29 0.00 99.71 0.05 0.02 0.15 99.75 0.03 0.00 0.00 0.00 24 L H H 42.27 13.04 15.66 29.43 91.80 49.94 -64.41 -41.60 0.21 0.00 99.79 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 25 N H H 70.31 7.06 17.38 25.47 91.55 51.49 -63.63 -40.53 0.26 0.00 99.74 0.03 0.01 0.13 99.80 0.02 0.00 0.00 0.00 26 R H H 136.78 1.67 19.68 19.91 91.91 50.48 -64.61 -41.47 0.43 0.00 99.57 0.05 0.03 0.24 99.64 0.04 0.00 0.00 0.00 27 I H H 63.64 6.37 16.90 24.51 92.21 48.94 -64.88 -42.28 0.54 0.00 99.46 0.06 0.05 0.32 99.51 0.05 0.00 0.00 0.00 28 L H H 39.25 11.43 12.75 25.54 92.65 48.86 -65.01 -40.98 1.32 0.01 98.67 0.26 0.15 0.75 98.67 0.15 0.00 0.00 0.00 29 T H H 82.52 3.20 15.12 19.12 92.71 49.47 -65.95 -39.94 3.44 0.03 96.53 0.51 0.27 2.45 96.30 0.44 0.01 0.01 0.01 30 T H H 104.10 1.19 15.26 15.66 92.46 51.00 -67.73 -33.34 9.10 0.02 90.87 0.37 0.52 8.18 90.44 0.46 0.02 0.01 0.01 31 D C T 83.56 4.52 12.76 18.61 94.90 47.09 -88.28 -3.24 75.03 0.04 24.93 0.61 2.77 69.62 26.23 0.72 0.00 0.01 0.04 32 G C T 41.97 4.01 14.85 20.29 95.92 -112.72 78.98 10.90 97.40 0.03 2.57 4.95 4.04 88.10 2.66 0.23 0.00 0.01 0.02 33 L H H 54.90 8.54 12.98 23.54 94.36 128.71 -68.31 -35.50 8.90 0.05 91.05 6.35 0.93 1.64 90.27 0.76 0.00 0.02 0.01 34 T H H 54.64 8.97 14.28 24.38 92.67 55.59 -64.49 -40.77 2.12 0.02 97.86 0.65 0.26 1.07 97.08 0.93 0.00 0.01 0.00 35 E H H 112.58 2.36 17.69 19.87 92.41 50.74 -65.47 -40.03 1.14 0.02 98.84 0.36 0.13 0.59 98.01 0.89 0.00 0.01 0.00 36 V H H 67.74 3.73 16.33 20.90 92.36 49.75 -65.65 -41.45 1.12 0.02 98.87 0.25 0.14 0.65 98.24 0.70 0.00 0.01 0.00 37 I H H 49.78 7.62 13.64 23.25 92.43 49.92 -64.90 -42.03 1.59 0.02 98.39 0.32 0.20 0.97 97.94 0.56 0.00 0.01 0.00 38 S H H 47.15 5.50 13.23 20.46 92.46 50.93 -64.99 -39.72 3.82 0.03 96.15 0.70 0.38 2.58 94.97 1.33 0.01 0.02 0.01 39 R H H 143.46 2.47 13.69 16.94 92.94 51.28 -67.64 -36.36 7.59 0.04 92.37 0.78 0.61 5.98 90.16 2.41 0.02 0.02 0.02 40 R H H 151.51 2.47 13.21 16.32 95.65 46.76 -76.70 -33.28 14.03 0.09 85.88 1.30 1.35 11.34 82.70 3.16 0.07 0.04 0.05 41 R H H 152.50 2.56 13.06 16.25 100.73 34.61 -87.81 -30.56 39.05 0.24 60.71 2.42 3.88 32.44 57.06 3.83 0.11 0.10 0.16 42 Y C T 132.40 4.12 12.50 17.76 107.67 19.37 -115.11 1.14 60.31 1.47 38.22 9.95 10.61 39.64 33.95 4.17 0.17 0.69 0.80 43 Y C C 123.18 6.38 10.16 18.24 117.88 90.87 -104.67 129.73 82.49 10.05 7.45 59.54 13.43 8.75 5.55 2.24 0.02 5.21 5.25 44 E C C 88.78 6.81 10.96 19.63 117.20 -164.63 -97.41 136.97 88.77 5.83 5.40 74.27 10.36 3.34 4.66 1.28 0.00 2.82 3.27 45 K C C 122.11 3.43 13.51 18.22 114.68 -111.91 -71.57 149.16 79.53 0.85 19.62 58.94 9.50 10.22 16.01 4.51 0.00 0.42 0.40 46 P C T 83.56 3.83 12.74 17.76 99.52 -53.20 -67.26 -18.10 65.69 0.46 33.85 18.06 11.52 35.97 27.64 6.31 0.02 0.19 0.29 47 C C H 63.30 4.91 11.46 17.63 99.28 59.99 -75.28 -32.20 52.97 0.65 46.38 24.60 7.27 21.58 39.58 6.28 0.02 0.28 0.40 48 R H H 131.57 3.01 13.21 17.26 94.09 64.84 -65.90 -38.92 8.27 0.10 91.64 4.51 1.69 2.47 90.01 1.25 0.00 0.04 0.03 49 R H H 135.08 2.28 14.25 17.04 92.39 52.33 -64.97 -41.30 2.01 0.02 97.97 0.77 0.30 0.86 97.51 0.55 0.00 0.01 0.00 50 R H H 126.82 2.57 14.37 17.48 92.26 49.94 -65.28 -40.30 1.01 0.01 98.98 0.35 0.12 0.46 98.68 0.38 0.00 0.00 0.00 51 Q H H 93.90 3.48 14.73 19.01 92.10 50.13 -64.71 -40.84 0.58 0.00 99.41 0.18 0.06 0.27 99.29 0.20 0.00 0.00 0.00 52 R H H 128.64 2.35 16.05 18.51 91.94 50.17 -64.52 -41.34 0.37 0.00 99.63 0.08 0.03 0.19 99.59 0.10 0.00 0.00 0.00 53 E H H 100.94 2.20 16.58 18.56 91.94 49.82 -64.35 -41.39 0.30 0.00 99.70 0.05 0.02 0.17 99.68 0.07 0.00 0.00 0.00 54 S H H 51.64 3.43 15.61 19.87 92.06 50.20 -64.34 -40.82 0.46 0.00 99.54 0.07 0.03 0.27 99.55 0.08 0.00 0.00 0.00 55 Y H H 114.91 3.49 15.94 19.97 92.10 50.26 -64.81 -41.40 0.43 0.00 99.57 0.06 0.03 0.25 99.59 0.07 0.00 0.00 0.00 56 E H H 95.93 2.33 16.75 18.94 91.78 50.54 -63.87 -41.58 0.35 0.00 99.65 0.05 0.02 0.20 99.68 0.05 0.00 0.00 0.00 57 T H H 72.43 2.18 16.78 18.67 91.90 49.77 -64.57 -41.43 0.42 0.00 99.58 0.05 0.02 0.26 99.61 0.06 0.00 0.00 0.00 58 C H H 60.96 3.83 15.08 19.82 92.02 50.30 -64.13 -40.99 0.44 0.00 99.56 0.05 0.02 0.27 99.58 0.07 0.00 0.00 0.00 59 R H H 131.47 2.85 16.17 19.16 91.83 50.80 -64.44 -40.53 0.25 0.00 99.75 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 60 R H H 133.69 1.78 16.64 17.87 91.82 50.68 -64.33 -41.39 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 61 I H H 88.35 2.56 16.24 18.86 91.82 49.12 -64.34 -42.40 0.15 0.00 99.85 0.01 0.01 0.09 99.85 0.03 0.00 0.00 0.00 62 Y H H 112.26 3.95 15.34 19.83 91.87 49.36 -63.90 -42.01 0.13 0.00 99.87 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 63 N H H 86.66 2.40 16.21 18.70 91.75 50.03 -64.10 -41.10 0.17 0.00 99.83 0.01 0.01 0.10 99.84 0.03 0.00 0.00 0.00 64 M H H 101.06 1.87 16.69 17.92 91.89 50.06 -64.42 -41.20 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 65 E H H 92.00 3.36 15.81 19.68 92.01 50.14 -64.49 -41.33 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 66 M H H 88.27 3.67 15.24 19.55 92.02 49.97 -64.89 -40.51 0.68 0.00 99.32 0.07 0.04 0.45 99.38 0.05 0.00 0.00 0.00 67 A H H 57.40 2.22 15.91 18.20 91.52 51.18 -63.39 -40.98 0.49 0.00 99.51 0.09 0.04 0.28 99.55 0.04 0.00 0.00 0.00 68 R H H 133.25 2.00 16.00 17.85 92.02 50.44 -64.83 -40.45 0.43 0.00 99.57 0.06 0.03 0.27 99.60 0.05 0.00 0.00 0.00 69 K H H 108.24 3.36 15.49 19.22 92.02 50.71 -64.53 -41.32 0.27 0.00 99.73 0.04 0.02 0.16 99.72 0.06 0.00 0.00 0.00 70 I H H 88.26 2.69 15.22 18.24 91.95 49.70 -64.17 -41.55 0.21 0.00 99.79 0.03 0.01 0.12 99.77 0.07 0.00 0.00 0.00 71 N H H 85.95 2.06 15.30 17.38 91.94 50.67 -64.23 -40.52 0.50 0.00 99.50 0.05 0.02 0.33 99.41 0.18 0.00 0.00 0.00 72 F H H 103.01 2.85 13.79 17.49 92.12 50.51 -64.57 -40.87 1.37 0.00 98.62 0.13 0.08 1.01 98.25 0.53 0.00 0.00 0.00 73 L H H 86.35 2.98 13.08 16.91 92.34 50.26 -64.98 -40.35 3.13 0.01 96.86 0.41 0.28 2.19 96.10 1.01 0.01 0.00 0.00 74 M H H 114.01 2.03 12.65 15.16 92.51 51.32 -66.80 -35.20 14.05 0.09 85.86 2.48 1.50 9.77 84.40 1.75 0.02 0.04 0.05 75 R H H 149.10 2.22 11.06 14.37 94.53 53.40 -77.05 -20.55 34.22 0.48 65.30 9.90 3.84 21.06 62.27 2.43 0.03 0.18 0.29 76 K C H 135.40 2.95 10.19 14.54 96.51 69.67 -73.70 -23.09 55.21 0.72 44.07 16.52 10.97 27.96 41.21 2.60 0.04 0.26 0.43 77 N C C 129.47 1.20 10.86 12.26 100.63 43.93 -94.12 16.32 77.75 0.80 21.45 33.26 12.20 31.85 19.30 2.59 0.00 0.30 0.49 78 R C C 136.25 3.71 7.95 13.88 117.07 121.25 -90.59 140.90 95.45 1.02 3.53 76.78 13.62 4.83 2.73 0.88 0.00 0.42 0.73 79 A C C 89.00 1.58 10.67 13.35 114.17 -119.28 -73.94 146.05 96.65 1.45 1.90 77.66 15.57 3.22 1.14 0.72 0.00 0.54 1.16 80 D C C 83.76 5.35 8.54 15.65 110.68 -104.71 -88.22 116.82 98.88 0.57 0.54 88.33 9.57 0.93 0.22 0.27 0.00 0.20 0.48 81 P C T 94.41 3.53 9.88 15.33 93.82 -154.75 -65.61 -20.43 84.71 0.47 14.82 15.81 10.42 57.77 2.00 13.48 0.00 0.24 0.29 82 W C T 161.67 3.88 8.53 13.98 100.38 59.45 -89.90 6.84 81.94 0.69 17.37 13.72 9.71 57.57 2.38 15.83 0.00 0.35 0.44 83 L C T 121.47 2.62 8.48 13.03 108.35 119.33 -69.89 123.01 83.64 0.95 15.41 18.01 10.59 54.36 1.80 14.15 0.00 0.46 0.62 84 G C T 63.84 0.94 10.85 11.90 98.92 13.96 80.46 1.11 94.48 0.39 5.14 40.79 4.82 49.44 1.08 3.44 0.00 0.22 0.20 85 C C C 75.60 6.50 9.73 17.56 104.36 99.22 -88.82 35.94 99.81 0.14 0.04 99.27 0.47 0.12 0.01 0.01 0.00 0.06 0.06