# 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 87.97 10.38 15.86 26.60 116.70 -157.65 -99.05 128.87 99.26 0.69 0.06 99.26 0.14 0.06 0.03 0.01 0.00 0.44 0.07 1 L C C 83.27 9.99 12.12 22.81 112.96 -149.67 -89.89 126.68 73.74 16.68 9.58 68.91 1.60 3.61 5.73 3.07 0.00 13.89 3.19 2 R C C 141.09 5.46 12.45 19.46 113.83 -158.81 -95.94 128.17 62.07 24.41 13.52 43.90 10.25 8.23 7.15 6.22 0.06 21.22 2.97 3 R C C 137.36 6.37 12.08 19.95 114.22 -145.46 -94.28 126.05 60.78 26.39 12.83 43.38 10.08 7.38 7.21 5.63 0.04 22.88 3.39 4 L C C 90.70 8.31 11.62 21.13 112.62 -151.88 -93.54 121.27 69.53 21.38 9.09 50.25 13.48 5.20 6.26 3.36 0.03 17.52 3.90 5 V C C 76.75 7.50 12.40 21.38 118.86 -161.59 -103.87 136.12 80.97 12.37 6.66 60.42 16.25 3.93 4.63 2.33 0.01 10.15 2.29 6 P C C 77.83 7.39 12.48 21.23 111.44 -110.70 -70.98 141.39 80.03 6.51 13.46 59.31 9.79 10.67 7.99 5.59 0.01 5.30 1.34 7 R C C 143.30 6.20 12.09 19.84 108.59 -138.63 -85.80 112.30 76.90 5.36 17.73 47.43 14.49 15.07 10.53 7.25 0.02 3.55 1.66 8 V C C 92.00 5.91 12.22 19.60 113.21 145.78 -98.26 125.60 75.65 7.33 17.02 50.37 13.37 11.73 10.71 6.61 0.02 4.97 2.21 9 M C C 113.34 5.94 12.35 19.77 113.82 -143.01 -95.11 130.58 79.17 7.24 13.60 57.52 13.82 7.42 9.78 4.32 0.01 5.02 2.11 10 M C C 109.86 6.67 12.70 20.74 113.73 -135.37 -90.22 131.59 80.23 7.33 12.44 61.89 11.44 6.19 9.69 3.40 0.01 4.72 2.67 11 A C C 56.76 8.69 12.45 22.25 115.09 -118.76 -82.51 140.23 81.46 4.08 14.47 63.50 12.88 4.63 12.10 2.98 0.00 2.44 1.47 12 P C C 81.95 7.15 14.27 22.53 108.60 -107.62 -72.24 136.03 73.72 3.66 22.61 56.69 7.73 8.61 17.99 5.37 0.00 2.39 1.21 13 M C C 108.44 8.00 14.27 23.06 106.68 -132.44 -77.20 98.01 59.60 5.24 35.17 37.37 10.14 12.63 26.55 8.25 0.05 3.27 1.75 14 G C C 40.24 8.38 15.11 24.06 108.96 58.31 -90.72 -28.33 56.85 5.05 38.11 32.47 11.21 14.08 29.37 8.07 0.09 3.20 1.52 15 G C H 37.62 9.60 15.80 25.61 107.44 55.26 -87.67 -28.42 48.00 5.06 46.95 28.90 11.02 10.05 38.13 7.15 0.10 3.33 1.32 16 A H H 53.89 9.90 15.55 25.89 104.13 59.24 -77.35 -27.30 34.11 6.14 59.75 23.77 6.61 5.84 49.62 8.08 0.05 5.06 0.96 17 T H H 70.08 9.06 16.94 26.38 101.20 54.07 -75.61 -23.85 29.53 10.52 59.95 20.83 4.25 5.58 49.10 9.02 0.05 10.08 1.11 18 A H H 52.89 10.65 15.89 26.80 100.24 53.19 -78.72 -17.33 25.56 13.88 60.56 15.59 4.46 6.69 48.26 10.02 0.14 13.45 1.40 19 L H H 81.37 10.25 16.13 26.66 106.09 53.08 -89.98 46.46 30.60 17.51 51.90 17.57 5.80 8.43 41.85 8.22 0.25 15.79 2.10 20 C C H 63.81 10.15 15.03 25.69 114.02 68.75 -98.47 123.19 45.15 17.92 36.93 25.87 8.65 11.08 31.13 5.71 0.25 14.62 2.69 21 T C C 65.69 9.11 14.41 24.31 115.80 -160.35 -100.78 145.58 59.50 14.33 26.18 33.39 12.41 13.47 22.14 4.91 0.15 10.82 2.70 22 S C C 73.04 6.60 14.34 21.94 101.36 -132.86 -83.64 -2.61 68.02 8.16 23.81 28.40 17.53 22.41 17.88 6.03 0.15 5.64 1.96 23 R C T 140.48 5.74 15.32 22.04 103.76 66.59 -89.97 17.61 74.63 3.91 21.46 23.38 20.10 31.58 14.61 6.57 0.08 2.32 1.35 24 G C C 35.44 10.04 15.76 25.93 110.40 -62.89 -82.85 42.51 75.01 5.26 19.73 28.45 20.85 26.63 11.82 7.30 0.07 3.42 1.46 25 Y C C 101.07 12.26 16.49 28.57 109.77 77.13 -95.37 87.24 59.52 16.76 23.71 30.07 14.38 16.06 15.78 7.83 0.22 12.98 2.68 26 N C C 61.41 13.08 18.78 31.63 110.93 149.33 -99.14 102.78 47.03 29.25 23.72 27.11 9.89 10.98 16.22 7.59 0.19 25.44 2.58 27 M E E 46.36 17.30 18.81 35.40 117.76 -169.32 -104.11 129.84 30.34 42.56 27.10 18.92 6.36 6.42 19.95 7.37 0.19 38.33 2.46 28 L E E 43.38 16.10 21.30 36.75 116.81 -159.80 -101.95 130.70 26.91 47.43 25.66 16.86 5.35 5.87 18.88 7.21 0.13 43.49 2.20 29 V E E 34.97 16.72 20.89 37.15 116.92 -161.41 -104.73 127.58 30.31 47.45 22.24 19.17 6.20 6.27 15.68 7.04 0.13 42.94 2.55 30 F C E 31.65 19.51 16.25 35.35 119.89 -161.04 -101.87 135.35 44.01 43.80 12.19 31.46 6.66 5.32 8.67 4.33 0.09 38.40 5.07 31 R C C 120.42 9.09 19.65 28.98 101.02 -151.88 -82.96 -21.82 75.31 19.36 5.33 38.67 31.20 6.57 3.08 2.31 0.12 14.78 3.28 32 D C C 60.67 8.52 16.44 26.11 110.35 30.77 -113.23 105.12 95.98 3.31 0.71 72.73 22.10 1.39 0.30 0.37 0.00 1.95 1.15 33 P C T 58.05 13.76 11.49 25.49 96.84 -161.23 -65.39 -18.71 71.93 1.27 26.81 18.98 8.85 42.03 2.04 26.89 0.00 0.73 0.47 34 K C T 149.54 2.32 15.89 18.76 96.58 68.59 -78.24 -17.95 72.69 1.62 25.68 9.90 12.43 48.73 1.82 25.48 0.00 0.97 0.65 35 R C C 131.18 5.65 14.44 21.22 106.18 54.77 -96.68 38.24 68.13 3.73 28.14 27.43 18.65 21.77 2.01 26.66 0.01 1.90 1.56 36 R C C 90.20 14.16 11.41 25.30 117.24 155.74 -90.49 134.65 96.67 2.01 1.32 64.50 30.62 1.67 0.51 0.69 0.00 0.79 1.23 37 P C C 51.04 11.46 14.14 26.57 114.11 -109.09 -67.42 149.91 95.94 1.73 2.33 75.13 10.10 10.58 0.55 1.86 0.00 0.99 0.80 38 Q C C 131.93 3.21 17.65 21.86 111.11 -118.44 -82.82 125.39 91.53 5.60 2.87 69.77 13.04 8.09 1.03 1.95 0.00 2.65 3.47 39 L C C 32.99 18.73 8.05 25.33 119.75 -143.35 -91.97 143.52 94.05 4.69 1.26 80.80 11.90 0.80 0.89 0.36 0.00 1.79 3.46 40 S C C 55.69 2.35 17.23 19.17 120.53 -119.08 -75.85 162.87 98.66 0.75 0.58 96.04 2.58 0.22 0.42 0.09 0.00 0.28 0.38 41 E H H 138.86 3.09 11.95 17.06 91.00 -105.28 -57.71 -37.78 4.13 0.03 95.84 0.86 0.69 2.49 92.38 3.55 0.01 0.02 0.01 42 E H H 134.65 1.23 15.08 15.61 91.91 53.27 -64.99 -38.87 3.06 0.05 96.88 0.45 0.34 2.20 92.11 4.84 0.01 0.04 0.01 43 E H H 65.00 10.21 12.99 24.35 92.42 49.36 -67.20 -38.32 1.91 0.06 98.02 0.33 0.21 1.33 92.98 5.08 0.01 0.06 0.01 44 R H H 69.29 15.77 11.91 27.21 91.56 54.89 -64.54 -37.20 3.35 0.05 96.60 0.42 0.29 2.50 91.33 5.40 0.01 0.03 0.01 45 A H H 70.80 3.81 17.44 22.11 91.12 58.65 -68.28 -22.51 40.22 0.08 59.71 0.93 1.01 38.07 55.64 4.24 0.03 0.03 0.05 46 K C T 125.46 4.25 18.39 23.25 95.32 55.72 -90.38 -5.37 66.05 0.23 33.72 2.17 2.26 59.95 31.88 3.48 0.02 0.12 0.12 47 V C C 19.70 21.53 10.03 30.85 114.59 102.36 -83.08 130.51 79.60 17.78 2.62 63.87 13.05 1.75 2.31 0.77 0.03 11.85 6.37 48 V C C 79.71 5.75 22.72 28.95 116.30 -157.67 -105.98 123.83 62.96 36.00 1.05 60.55 1.82 0.61 0.78 0.38 0.00 28.66 7.21 49 V C C 34.32 20.16 12.59 31.89 116.54 -156.62 -98.25 127.91 66.93 31.63 1.44 59.12 5.26 1.79 0.78 0.78 0.00 26.66 5.61 50 N C C 69.61 6.82 18.95 26.55 107.87 -152.02 -100.54 103.83 88.81 10.14 1.05 84.90 2.85 1.16 0.45 0.50 0.00 8.26 1.87 51 Q H G 74.99 14.85 11.70 26.27 94.71 -162.90 -67.93 -21.96 19.96 0.80 79.24 7.69 2.72 7.50 1.97 79.44 0.00 0.62 0.06 52 A H G 87.35 1.77 16.12 18.00 92.26 67.71 -69.41 -20.53 18.57 0.30 81.13 1.51 2.01 12.69 1.25 82.31 0.00 0.19 0.03 53 E H G 122.33 4.14 16.15 21.28 97.65 52.71 -94.78 1.51 17.06 0.31 82.62 2.13 2.34 10.64 1.14 83.51 0.00 0.19 0.03 54 W C S 38.43 20.79 8.02 27.20 118.53 110.56 -80.00 141.60 99.01 0.38 0.61 30.06 68.76 0.33 0.26 0.15 0.00 0.09 0.35 55 P C C 39.32 9.12 14.45 25.67 113.19 -105.02 -63.97 146.43 98.70 0.21 1.09 97.39 1.10 0.50 0.55 0.24 0.00 0.06 0.18 56 E H G 142.85 2.27 15.48 18.80 91.90 -116.14 -59.81 -34.89 15.87 0.13 84.00 2.50 1.93 10.60 12.52 72.32 0.00 0.09 0.03 57 E H G 102.95 6.08 15.63 23.14 90.85 63.39 -68.25 -20.83 13.58 0.14 86.28 1.38 1.32 10.32 14.90 71.95 0.00 0.10 0.03 58 F H G 21.67 19.84 10.35 29.86 97.95 49.99 -95.84 1.08 11.75 0.19 88.05 2.37 1.55 7.38 14.74 73.77 0.00 0.13 0.04 59 K C T 107.38 9.21 15.28 25.37 94.01 90.20 -66.27 -26.32 58.61 1.80 39.58 11.57 8.81 37.20 17.55 22.49 0.12 0.87 1.37 60 D C T 108.15 2.35 18.39 20.58 98.16 50.86 -92.85 14.25 78.03 1.48 20.49 19.00 10.70 48.62 5.86 14.14 0.01 0.80 0.87 61 F C C 57.73 17.11 9.96 26.15 114.90 129.69 -81.78 136.69 88.67 5.51 5.81 60.70 21.60 4.95 2.37 3.31 0.01 1.73 5.33 62 D C C 68.03 6.29 15.86 23.59 110.60 -138.14 -105.06 111.36 97.56 1.77 0.67 90.37 5.90 1.12 0.25 0.34 0.00 0.68 1.33 63 P C T 73.98 10.50 11.52 23.12 93.84 -157.85 -65.12 -19.25 98.02 0.30 1.68 11.67 8.89 77.41 0.27 1.44 0.00 0.17 0.16 64 D C T 122.51 1.10 15.91 16.11 94.83 61.87 -80.71 -12.59 97.79 0.35 1.86 6.71 13.04 77.97 0.29 1.62 0.00 0.21 0.19 65 D C C 50.53 8.69 12.20 22.84 110.02 69.76 -106.17 104.52 97.31 1.62 1.07 59.00 37.12 1.07 0.48 0.47 0.00 0.49 1.36 66 P C T 56.89 11.33 13.53 26.37 92.72 -160.17 -63.47 -24.84 66.18 0.54 33.28 10.52 5.55 49.47 7.40 26.41 0.00 0.28 0.37 67 Y C T 80.67 14.12 13.98 28.03 94.29 63.09 -78.77 -11.01 62.88 0.87 36.26 7.21 5.93 48.78 8.79 28.22 0.02 0.46 0.59 68 K C T 110.44 7.14 16.96 24.98 95.06 74.60 -68.25 -24.96 57.72 1.32 40.97 12.75 11.71 33.34 10.25 30.46 0.04 0.66 0.79 69 N C T 88.92 6.99 17.51 25.26 101.33 45.20 -99.52 14.07 66.24 2.42 31.34 19.26 15.42 32.76 10.88 18.91 0.07 1.05 1.65 70 S C C 23.97 16.01 13.77 29.94 109.55 110.76 -83.80 115.77 91.01 0.92 8.07 70.01 18.95 1.45 7.75 0.87 0.00 0.25 0.73 71 P H H 49.83 11.36 16.54 28.64 101.94 -114.81 -65.21 -31.56 21.14 0.25 78.62 13.54 3.25 5.47 74.43 3.08 0.01 0.11 0.10 72 E H H 117.98 3.81 20.47 24.41 94.26 52.20 -64.78 -35.86 7.90 0.25 91.85 2.69 1.42 4.48 86.61 4.51 0.04 0.17 0.07 73 I H H 37.86 14.79 17.97 32.81 93.07 51.35 -66.38 -41.18 4.84 0.40 94.75 1.76 0.83 2.69 89.30 4.97 0.03 0.36 0.07 74 I H H 18.65 20.67 16.30 36.36 93.07 49.57 -67.35 -39.77 5.67 0.44 93.90 1.88 0.97 3.25 89.03 4.40 0.04 0.35 0.08 75 K H H 112.27 6.14 20.92 27.77 92.60 54.22 -65.10 -36.32 22.30 0.38 77.31 2.46 2.04 17.93 72.89 4.14 0.15 0.22 0.17 76 G H H 33.62 7.39 19.88 27.90 94.23 50.33 -70.79 -25.14 46.01 0.32 53.67 4.45 3.83 36.76 51.07 3.49 0.06 0.15 0.18 77 M C H 32.25 19.67 15.37 34.01 98.12 65.20 -76.87 -21.78 52.45 2.36 45.19 29.03 10.85 13.67 39.26 4.99 0.06 1.13 1.01 78 S C H 49.53 11.63 19.41 30.70 97.53 78.67 -69.60 -33.76 53.59 3.95 42.47 28.88 10.58 14.84 35.95 6.05 0.07 2.45 1.18 79 S C H 59.16 7.65 20.13 27.79 97.35 53.94 -77.51 -26.96 48.94 5.44 45.62 24.08 11.17 14.78 37.71 7.01 0.13 3.88 1.24 80 W H H 74.79 15.81 17.52 32.53 99.59 71.94 -75.61 -27.08 37.57 8.32 54.11 20.39 8.71 10.54 44.42 7.77 0.19 6.45 1.53 81 N H H 59.42 13.85 19.77 32.83 98.62 66.35 -72.51 -25.45 34.06 9.70 56.24 21.54 5.77 8.06 47.42 7.26 0.09 8.48 1.38 82 L H H 59.47 13.48 19.30 32.32 95.94 80.48 -69.59 -32.59 27.07 10.73 62.19 12.59 5.63 10.33 50.52 9.55 0.35 9.68 1.36 83 F H H 72.98 13.41 20.71 33.35 95.97 54.60 -72.01 -34.68 26.93 12.61 60.46 12.11 5.40 10.89 50.28 8.11 0.40 11.25 1.55 84 L H H 40.15 17.14 19.75 35.80 97.23 52.20 -75.51 -30.98 31.08 12.84 56.07 15.35 6.51 11.11 47.56 6.36 0.33 10.89 1.88 85 W H H 84.86 14.92 20.78 34.60 97.78 52.04 -70.55 -29.43 36.83 10.14 53.03 12.66 7.36 18.25 46.22 5.07 0.51 8.26 1.67 86 G H H 23.19 14.30 21.76 34.88 98.56 46.92 -64.27 -42.25 40.71 6.27 53.01 14.50 8.13 19.34 47.22 4.38 0.28 5.01 1.14 87 V H H 37.50 16.93 22.01 37.61 97.08 47.57 -73.23 -38.57 29.15 8.33 62.53 14.74 6.15 10.00 56.44 4.13 0.24 6.91 1.39 88 E H H 41.75 18.37 23.17 39.79 96.04 53.67 -70.14 -36.67 24.57 11.49 63.94 14.17 4.34 7.35 58.80 3.54 0.16 10.12 1.51 89 C H H 21.07 19.12 22.48 40.32 95.57 53.77 -67.89 -39.01 18.97 8.04 72.99 12.10 3.35 5.04 68.37 2.91 0.08 7.19 0.96 90 A H H 25.31 13.82 23.94 37.61 93.50 55.52 -65.17 -39.72 10.58 4.35 85.07 6.47 2.00 3.59 80.99 2.32 0.08 4.06 0.49 91 F H H 27.75 18.56 23.65 41.31 93.16 51.64 -65.92 -41.88 6.66 3.75 89.59 3.78 1.46 2.65 86.08 2.09 0.10 3.40 0.44 92 I H H 9.78 23.02 22.64 44.83 92.39 51.72 -64.14 -43.09 3.37 2.52 94.12 1.69 0.75 1.49 91.89 1.58 0.05 2.34 0.22 93 Y H H 55.65 15.80 23.50 38.48 92.29 50.97 -64.46 -41.84 3.02 1.79 95.20 1.19 0.55 1.65 93.03 1.65 0.05 1.72 0.16 94 Q H H 55.84 12.11 23.97 35.82 92.19 50.23 -65.76 -40.48 5.08 1.56 93.36 1.53 0.73 3.38 90.55 2.08 0.10 1.44 0.20 95 F H H 16.80 20.89 21.39 41.81 92.48 49.93 -66.88 -41.29 8.28 0.88 90.84 2.31 1.11 5.73 87.63 2.16 0.13 0.72 0.22 96 Y H H 28.35 20.45 20.48 40.05 92.30 52.49 -64.58 -39.51 9.08 0.62 90.31 2.71 1.20 6.02 85.42 3.84 0.13 0.46 0.22 97 E H H 77.64 10.76 21.40 32.29 91.73 53.53 -66.51 -32.78 14.06 0.41 85.53 1.61 1.18 11.53 80.30 4.74 0.19 0.27 0.17 98 L H H 57.96 11.82 20.65 32.54 95.17 47.78 -77.22 -30.99 22.70 0.30 77.00 1.83 1.72 19.29 73.54 3.18 0.12 0.17 0.15 99 V H H 24.79 18.33 17.77 35.93 101.42 35.50 -94.85 -27.18 31.95 1.13 66.93 3.86 5.46 23.93 63.09 2.11 0.43 0.49 0.62 100 F C S 41.75 17.49 15.38 32.56 113.25 46.71 -112.85 103.56 93.16 3.99 2.85 34.12 56.20 3.04 2.50 0.60 0.01 1.73 1.80 101 P C C 63.51 9.35 15.83 26.33 108.05 -155.03 -69.14 131.73 87.37 5.39 7.24 64.21 10.25 12.91 2.94 4.13 0.00 3.95 1.60 102 K C C 115.13 8.01 13.85 22.78 112.14 -134.04 -92.62 130.14 74.99 13.57 11.44 39.72 18.19 18.63 3.90 6.85 0.07 8.72 3.92 103 S C C 70.05 5.99 13.02 20.34 112.56 -127.99 -91.46 127.61 83.75 9.48 6.77 71.75 2.59 10.14 2.31 3.31 0.00 7.19 2.70 104 I C C 83.90 11.15 11.95 23.44 107.38 -161.23 -92.08 66.39 99.60 0.36 0.04 99.49 0.14 0.07 0.02 0.01 0.00 0.23 0.03