# 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 V C C 69.25 10.82 13.33 24.74 117.08 -156.53 -98.02 128.99 99.33 0.49 0.18 99.19 0.20 0.12 0.13 0.02 0.00 0.27 0.07 1 R C C 143.14 4.96 12.60 19.01 114.19 -151.05 -92.74 130.98 79.78 7.01 13.21 74.89 1.36 3.43 12.19 1.45 0.00 4.68 2.01 2 S C C 62.19 6.95 10.49 18.70 111.32 -141.03 -87.21 136.79 68.82 8.30 22.89 54.22 7.26 6.03 21.41 3.06 0.01 6.36 1.65 3 K C H 129.68 4.16 13.91 19.11 99.36 -146.27 -79.62 -18.06 47.13 10.23 42.64 32.31 8.36 6.83 37.76 4.54 0.04 8.81 1.33 4 V H H 65.53 9.70 12.74 23.12 99.19 67.98 -76.47 -30.84 33.17 14.75 52.08 22.42 5.57 5.87 44.99 5.57 0.07 14.23 1.29 5 Y H H 96.53 10.36 13.66 24.53 102.27 61.16 -80.77 -14.84 27.91 19.29 52.80 18.95 4.02 5.04 45.44 5.93 0.06 19.36 1.20 6 Q H H 96.13 6.47 15.83 23.19 102.93 62.52 -80.89 -3.81 26.61 21.05 52.34 18.11 3.64 4.70 45.41 5.59 0.05 21.33 1.16 7 I H H 75.51 9.13 14.03 23.97 102.78 61.38 -80.48 -20.28 26.63 21.41 51.96 17.73 3.86 5.16 45.39 5.30 0.08 21.15 1.33 8 F H H 96.14 9.15 14.13 23.93 104.36 57.03 -88.02 -4.32 32.16 18.73 49.11 20.73 4.67 7.17 42.64 5.56 0.09 17.51 1.64 9 L H H 81.34 9.10 12.32 22.24 104.17 65.92 -84.55 19.61 42.60 11.94 45.47 25.48 6.56 11.29 38.05 6.71 0.10 10.01 1.80 10 K C H 138.45 3.70 13.73 18.57 102.59 70.52 -80.71 4.71 57.79 4.91 37.30 18.37 10.31 29.29 30.75 6.40 0.18 3.30 1.39 11 N C T 107.70 4.18 13.87 19.18 105.96 40.58 -96.68 49.68 69.81 3.00 27.19 20.26 15.11 35.08 20.73 5.88 0.09 1.68 1.16 12 A C C 48.70 11.05 11.46 23.18 116.05 127.10 -87.50 134.99 91.06 2.94 6.00 58.20 30.10 2.84 5.26 1.03 0.00 1.40 1.17 13 P C C 54.98 9.96 13.30 24.39 114.27 -111.39 -72.20 149.82 88.29 3.90 7.82 75.25 8.91 3.42 7.27 1.38 0.00 2.21 1.55 14 T C C 66.44 4.53 17.21 22.29 118.24 -113.00 -79.88 161.88 82.59 7.61 9.80 73.35 6.31 2.16 9.41 1.27 0.00 3.07 4.41 15 R H H 121.05 9.65 13.15 23.49 92.93 -108.04 -60.08 -38.61 4.50 0.08 95.41 2.19 0.97 1.61 94.53 0.64 0.00 0.03 0.02 16 E H H 122.26 2.38 17.04 19.56 92.69 52.59 -65.48 -40.23 2.05 0.04 97.92 0.73 0.31 1.03 97.28 0.62 0.00 0.02 0.01 17 E H H 84.23 4.45 17.41 22.64 92.38 49.80 -65.73 -40.90 1.12 0.03 98.85 0.44 0.16 0.54 98.28 0.56 0.00 0.02 0.00 18 V H H 27.45 13.80 14.65 29.48 92.21 50.11 -64.81 -42.35 0.67 0.02 99.32 0.25 0.09 0.31 99.11 0.23 0.00 0.01 0.00 19 L H H 56.30 9.83 17.23 27.95 91.66 50.64 -63.80 -41.14 0.66 0.01 99.33 0.20 0.07 0.35 99.26 0.11 0.00 0.01 0.00 20 K H H 113.68 2.58 21.08 22.97 91.67 50.78 -64.46 -41.05 1.00 0.02 98.99 0.23 0.10 0.63 98.92 0.12 0.00 0.01 0.00 21 K H H 77.74 7.49 19.13 27.40 92.38 49.75 -65.63 -41.54 0.86 0.02 99.12 0.18 0.09 0.55 99.04 0.12 0.00 0.01 0.00 22 V H H 35.17 14.50 16.87 31.59 92.28 49.27 -65.08 -42.42 0.59 0.01 99.40 0.12 0.06 0.36 99.34 0.10 0.00 0.01 0.00 23 Y H H 105.17 7.23 18.68 26.59 91.75 50.62 -63.80 -40.93 0.90 0.01 99.09 0.17 0.08 0.58 99.00 0.17 0.00 0.01 0.00 24 E H H 105.48 2.53 20.35 22.07 92.40 49.96 -65.70 -40.82 1.92 0.02 98.06 0.29 0.15 1.38 97.84 0.32 0.00 0.01 0.00 25 H H H 68.61 8.12 17.31 26.50 92.88 48.97 -66.80 -39.29 4.14 0.04 95.82 0.70 0.41 2.91 95.33 0.60 0.01 0.02 0.01 26 A H H 28.44 12.72 13.52 27.10 93.40 53.36 -66.92 -35.24 11.90 0.21 87.89 2.99 1.52 7.52 86.31 1.42 0.05 0.10 0.10 27 Q H H 111.03 3.95 16.53 21.34 93.74 55.62 -69.71 -29.50 24.93 0.63 74.44 7.38 3.59 14.82 70.95 2.57 0.08 0.32 0.28 28 Q H H 119.86 2.89 15.56 18.91 96.53 56.98 -77.95 -19.69 35.94 1.56 62.50 14.26 7.50 15.71 57.89 3.16 0.08 0.80 0.61 29 Q C H 92.15 8.52 11.84 21.27 104.96 70.99 -89.05 31.75 52.28 2.93 44.79 27.73 8.90 16.30 41.16 3.25 0.05 1.55 1.05 30 Q C C 110.78 5.81 12.69 19.74 106.15 126.63 -90.19 28.25 64.96 3.86 31.17 36.36 11.84 16.30 28.31 3.65 0.05 1.98 1.51 31 G C C 39.90 5.42 13.39 20.14 117.71 -109.81 90.02 -166.68 69.71 3.58 26.71 35.19 17.85 17.23 20.22 6.18 0.04 1.92 1.36 32 L C C 104.31 5.37 12.32 18.98 108.16 -35.31 -79.85 111.54 60.67 5.18 34.15 32.04 14.33 15.42 24.54 8.75 0.11 2.98 1.83 33 R C C 143.94 4.92 12.64 19.06 108.75 -135.11 -83.13 109.41 56.90 6.67 36.43 33.04 11.74 13.03 26.21 9.54 0.13 3.93 2.37 34 K C H 124.25 5.20 13.37 19.86 104.61 -127.12 -77.36 37.22 53.48 4.48 42.04 20.39 11.16 22.83 30.27 10.71 0.24 2.70 1.69 35 G C H 34.90 7.72 14.20 22.86 100.93 37.50 56.26 -22.50 56.33 2.89 40.78 20.93 11.18 25.38 29.90 9.69 0.15 1.59 1.19 36 W H H 114.54 9.93 12.76 23.27 98.26 62.19 -74.72 -26.00 39.00 3.37 57.63 24.15 7.91 8.92 45.23 10.61 0.07 2.03 1.08 37 Q H H 105.02 5.49 15.55 22.06 98.69 63.93 -72.96 -26.39 33.80 4.84 61.36 22.09 6.01 7.68 48.71 10.82 0.07 3.47 1.15 38 V H H 78.74 6.85 14.33 22.18 99.69 60.56 -76.88 -27.06 29.94 5.64 64.42 17.09 6.01 9.01 50.91 11.37 0.16 4.16 1.30 39 K H H 108.19 6.73 14.86 22.47 100.39 57.79 -81.95 -16.41 33.33 5.04 61.63 17.74 7.26 10.90 49.26 9.82 0.20 3.42 1.41 40 A H H 47.48 8.93 13.40 23.43 103.27 73.53 -74.43 -30.84 39.60 3.19 57.22 23.16 8.73 9.96 45.47 9.67 0.07 1.88 1.06 41 A H H 59.95 6.59 14.02 21.79 97.38 55.47 -70.95 -31.35 45.05 2.30 52.65 20.03 8.61 17.35 39.43 12.23 0.12 1.33 0.91 42 S C H 68.30 4.37 15.04 20.35 98.76 57.00 -77.89 -23.29 49.22 2.59 48.19 17.91 10.32 21.72 34.45 12.85 0.20 1.43 1.12 43 W C H 112.72 8.92 12.76 22.74 99.80 65.28 -76.14 -25.81 53.38 3.66 42.96 27.08 14.13 13.33 30.15 11.82 0.10 1.90 1.48 44 V C C 67.32 9.55 12.28 22.74 104.99 64.20 -81.11 43.77 57.50 6.13 36.37 37.37 8.97 11.16 26.14 10.34 0.05 3.72 2.26 45 K C C 126.01 5.18 13.89 20.33 100.62 89.60 -79.06 -15.75 61.61 6.32 32.07 30.69 14.10 17.45 21.56 10.07 0.17 3.70 2.24 46 K C C 132.97 3.70 15.68 20.19 102.10 49.13 -91.80 10.77 65.91 8.81 25.27 30.18 17.67 18.96 16.17 8.64 0.24 5.41 2.73 47 I C C 69.78 11.55 11.57 23.64 113.93 83.47 -92.03 127.32 73.45 14.54 12.02 41.31 25.24 7.38 8.00 4.07 0.16 7.21 6.64 48 H C C 87.03 8.13 13.12 22.56 108.72 -130.73 -91.41 107.76 84.27 11.61 4.12 70.41 9.61 3.16 2.65 1.68 0.00 6.39 6.11 49 V C T 87.10 7.41 12.89 21.57 100.13 -160.84 -70.73 -28.59 80.08 5.55 14.37 16.98 10.92 52.41 4.96 8.85 0.06 3.38 2.44 50 D C T 104.14 3.50 13.83 18.41 99.69 43.08 -83.95 4.90 82.24 2.94 14.82 13.64 12.89 55.40 4.17 10.75 0.02 1.80 1.31 51 R C T 129.53 6.61 12.62 20.39 102.18 91.07 -91.65 22.36 77.77 4.70 17.52 22.76 21.62 34.41 4.03 12.27 0.05 2.22 2.64 52 G C T 46.69 5.15 15.14 21.38 100.10 -88.04 82.70 3.11 90.12 4.37 5.51 28.58 23.89 38.20 1.13 4.13 0.01 2.39 1.67 53 D C C 58.63 12.61 11.89 24.76 116.97 127.73 -89.27 143.22 84.48 11.51 4.01 52.01 23.99 8.22 1.12 3.01 0.00 5.57 6.08 54 V C C 72.91 8.78 17.38 26.87 119.60 -136.43 -99.18 139.78 83.36 14.89 1.75 59.93 20.02 3.19 0.64 1.20 0.00 8.19 6.82 55 K C C 107.50 10.25 19.41 29.71 112.23 -109.33 -74.24 135.09 88.57 10.97 0.46 79.65 7.62 1.12 0.13 0.34 0.00 8.97 2.16 56 V C C 40.83 16.02 17.57 33.17 111.53 -146.27 -95.09 114.50 84.44 15.40 0.16 69.93 13.08 0.78 0.03 0.14 0.00 14.95 1.09 57 G E E 10.00 16.04 17.73 33.66 137.90 -105.38 151.67 -178.71 19.47 80.50 0.03 15.92 3.08 0.14 0.00 0.02 0.00 80.40 0.44 58 L E E 58.31 9.90 19.88 30.87 131.55 -103.34 -132.08 151.49 0.94 99.05 0.00 0.86 0.05 0.00 0.00 0.00 0.00 98.99 0.10 59 R E E 114.44 8.92 15.16 25.27 114.76 -119.44 -90.56 128.62 1.78 98.21 0.01 1.75 0.06 0.00 0.00 0.00 0.00 97.34 0.84 60 G C C 19.71 9.85 9.82 21.35 124.63 -139.26 -83.75 174.67 93.51 6.44 0.05 93.27 0.71 0.12 0.01 0.03 0.00 5.20 0.66 61 R C T 195.47 1.11 11.11 12.94 91.55 -88.73 -65.18 -21.96 98.65 0.45 0.90 0.52 5.47 92.62 0.02 0.97 0.00 0.32 0.08 62 D C T 119.53 0.88 12.07 12.27 92.99 54.24 -87.97 2.34 98.96 0.12 0.93 0.28 4.36 94.24 0.02 1.01 0.00 0.06 0.03 63 G C S 39.60 6.05 11.19 19.03 96.71 -102.81 86.11 6.02 98.59 0.45 0.96 12.41 84.03 2.38 0.06 0.72 0.00 0.21 0.20 64 Q C C 90.39 3.98 15.39 20.68 121.40 130.77 -86.42 153.49 95.46 4.51 0.03 93.44 2.40 0.12 0.01 0.02 0.00 3.32 0.70 65 F E E 64.58 15.42 11.81 27.34 118.83 -116.41 -87.16 137.22 1.15 98.85 0.00 1.21 0.03 0.00 0.00 0.00 0.00 98.00 0.77 66 H E E 77.13 8.28 18.55 28.03 126.19 -169.80 -125.66 140.32 0.52 99.48 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.45 0.02 67 V E E 66.75 12.10 15.30 27.99 113.07 -117.54 -80.14 130.22 3.37 96.63 0.00 3.38 0.09 0.01 0.00 0.00 0.00 96.11 0.42 68 I C C 36.20 12.98 13.13 27.70 110.30 -154.65 -103.83 111.44 87.94 11.48 0.57 87.26 0.88 0.20 0.12 0.36 0.00 10.84 0.33 69 D H G 98.40 5.45 14.92 22.44 93.82 -161.38 -64.20 -31.92 14.38 0.94 84.69 5.09 1.86 5.50 1.03 85.63 0.00 0.86 0.03 70 D H G 109.09 2.42 17.65 20.59 91.17 63.97 -71.09 -15.88 13.34 0.34 86.31 0.78 1.31 9.85 0.58 87.21 0.00 0.25 0.02 71 L H G 38.76 15.85 13.37 29.52 95.61 55.15 -93.07 -4.95 14.17 0.44 85.39 1.21 1.77 9.74 0.60 86.31 0.00 0.32 0.04 72 L C S 40.15 16.74 14.08 31.01 116.29 98.80 -85.82 131.25 97.83 1.87 0.31 24.46 73.15 0.48 0.11 0.13 0.00 0.66 1.02 73 P C C 37.34 13.87 15.04 29.73 115.12 -114.14 -67.83 151.03 96.41 3.42 0.17 88.20 7.38 0.93 0.04 0.14 0.00 2.52 0.79 74 K C C 131.52 5.37 19.22 25.88 115.18 -129.05 -95.78 131.90 67.99 31.65 0.36 54.42 11.96 1.35 0.11 0.32 0.00 24.11 7.72 75 Y C C 74.39 16.73 12.71 28.82 119.16 -152.69 -104.57 133.27 52.68 47.07 0.24 45.46 5.50 0.54 0.11 0.18 0.00 36.72 11.49 76 V C C 76.55 6.86 17.99 25.93 115.86 -155.26 -105.58 124.99 60.42 39.46 0.12 55.57 4.24 0.26 0.06 0.09 0.00 31.09 8.70 77 V C C 59.29 13.16 13.16 26.77 117.60 -158.71 -106.97 127.52 89.81 10.11 0.09 84.52 5.39 0.23 0.02 0.07 0.00 8.52 1.26 78 P C C 48.79 10.18 12.69 24.35 115.49 -114.29 -68.34 152.90 96.44 2.80 0.75 89.23 5.13 2.14 0.16 0.61 0.00 2.00 0.73 79 D C C 98.36 3.46 15.71 20.19 107.83 -110.22 -79.43 118.47 96.09 2.71 1.20 86.08 6.82 2.92 0.29 0.96 0.00 1.27 1.67 80 L C C 58.71 13.58 8.17 21.85 99.49 -174.03 -97.49 10.52 92.20 3.53 4.26 79.65 6.88 4.82 0.87 3.73 0.00 1.53 2.52 81 K C T 154.88 1.78 11.84 15.01 94.70 113.14 -65.95 -25.18 93.95 1.72 4.33 11.13 14.25 67.98 0.53 4.20 0.00 0.99 0.92 82 N C T 138.76 0.62 12.74 12.04 96.94 39.30 -92.44 6.12 95.76 0.83 3.40 8.15 16.69 70.43 0.28 3.60 0.00 0.56 0.29 83 F C C 75.51 12.06 6.94 18.93 119.24 101.11 -99.22 140.50 92.55 5.26 2.20 71.44 17.73 2.92 0.38 2.20 0.00 2.77 2.57 84 E C C 151.59 1.29 16.59 17.15 109.30 -139.23 -92.22 112.69 90.56 8.54 0.89 85.03 4.12 1.60 0.24 0.65 0.00 4.92 3.44 85 L C C 68.93 14.58 8.66 22.53 117.33 -161.17 -93.70 136.16 88.00 11.32 0.68 80.05 6.61 1.04 0.24 0.46 0.00 6.06 5.55 86 K C C 119.46 4.38 15.63 21.39 122.95 -165.28 -109.64 146.24 92.89 6.43 0.67 82.46 9.13 1.25 0.21 0.46 0.00 4.43 2.06 87 P C C 80.26 8.22 13.32 22.33 109.03 -100.22 -67.66 143.06 84.95 7.03 8.02 47.05 20.82 17.64 1.57 6.51 0.01 4.65 1.77 88 Y C C 127.67 8.46 13.17 22.17 105.92 -121.12 -87.65 59.10 77.75 13.27 8.98 45.96 15.82 16.54 2.19 6.76 0.02 9.04 3.66 89 V C C 74.32 9.18 11.20 21.43 117.35 90.68 -104.01 128.92 72.13 19.83 8.05 52.58 10.82 8.43 2.75 5.37 0.02 14.47 5.57 90 A C C 66.08 6.12 11.22 18.93 118.06 -158.52 -100.83 137.94 76.85 18.16 4.99 62.59 7.65 5.90 1.93 3.03 0.00 14.51 4.38 91 L C C 111.98 5.21 9.20 16.13 109.25 -154.76 -95.00 105.44 86.38 11.44 2.18 80.50 2.13 3.76 0.89 1.05 0.00 9.03 2.64 92 S C C 84.45 2.56 12.06 16.08 114.55 -158.76 -102.94 132.27 99.73 0.24 0.03 99.42 0.25 0.12 0.01 0.00 0.00 0.17 0.02