# 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 73.79 9.06 14.54 24.61 116.93 -158.60 -102.61 126.39 98.88 1.03 0.10 99.07 0.12 0.05 0.05 0.01 0.00 0.59 0.10 1 L C C 83.18 8.93 11.32 21.27 112.13 -150.73 -88.89 126.09 76.50 10.69 12.80 72.42 1.43 3.18 8.83 3.51 0.00 7.26 3.36 2 R C C 143.07 5.38 11.58 18.43 110.04 -148.31 -88.13 118.17 62.62 7.86 29.52 42.45 9.48 11.02 13.63 15.72 0.03 5.57 2.11 3 D C C 103.11 3.76 12.47 17.73 103.11 61.32 -84.25 -9.05 59.27 3.18 37.55 26.97 13.56 19.61 13.13 23.68 0.04 1.91 1.11 4 N C C 95.01 5.73 14.12 20.99 104.49 61.70 -92.49 45.74 59.12 2.90 37.98 30.55 11.31 17.92 12.83 24.61 0.02 1.67 1.08 5 I C C 48.87 16.56 9.91 25.48 101.51 139.67 -92.56 21.56 63.66 6.99 29.35 42.70 8.92 11.83 10.75 18.78 0.02 4.34 2.66 6 Q C T 124.93 3.80 15.53 21.07 109.79 133.50 -75.38 124.67 82.31 5.14 12.55 19.81 9.68 53.05 6.22 5.95 0.04 3.31 1.93 7 G C T 52.26 3.56 17.80 22.04 98.93 19.61 84.14 -0.71 90.86 3.02 6.12 16.80 14.88 59.64 1.72 4.07 0.00 2.17 0.72 8 I C C 30.08 19.84 9.35 28.10 116.09 122.23 -90.98 128.73 93.69 5.31 1.01 79.97 12.72 0.76 0.68 0.35 0.00 2.35 3.16 9 T C C 69.65 3.51 21.18 24.19 123.08 -144.16 -88.94 161.13 96.33 2.68 0.99 94.51 1.75 0.27 0.92 0.10 0.00 0.88 1.57 10 K H H 110.52 10.31 14.00 25.01 92.50 -105.02 -58.24 -39.59 2.87 0.02 97.11 0.80 0.51 1.32 97.04 0.32 0.00 0.00 0.00 11 P H H 79.59 2.25 19.38 20.87 91.40 52.15 -63.30 -39.41 1.70 0.01 98.29 0.37 0.17 1.00 98.02 0.43 0.00 0.01 0.00 12 A H H 28.37 8.21 17.18 27.33 91.77 50.79 -64.74 -40.67 0.68 0.01 99.31 0.20 0.07 0.33 98.99 0.40 0.00 0.01 0.00 13 I H H 15.58 19.42 14.19 33.68 91.99 50.23 -64.39 -42.38 0.51 0.01 99.47 0.16 0.07 0.23 99.35 0.18 0.00 0.01 0.00 14 R H H 115.07 6.49 19.84 27.04 91.63 50.67 -63.46 -41.21 0.90 0.03 99.07 0.30 0.11 0.41 99.06 0.10 0.00 0.02 0.00 15 R H H 126.97 2.26 21.33 22.45 91.78 49.66 -64.50 -42.05 1.17 0.05 98.79 0.34 0.15 0.59 98.77 0.12 0.00 0.02 0.01 16 L H H 36.33 10.89 16.57 29.03 92.11 49.63 -64.91 -41.82 1.58 0.09 98.34 0.47 0.23 0.82 98.15 0.26 0.01 0.05 0.02 17 A H H 22.02 13.55 13.11 27.68 92.13 51.57 -63.62 -40.90 3.01 0.08 96.90 0.80 0.29 1.81 96.40 0.63 0.01 0.05 0.02 18 R H H 166.25 1.71 16.72 18.49 92.32 49.74 -66.17 -38.02 7.57 0.11 92.32 0.96 0.65 5.78 91.39 1.08 0.03 0.06 0.04 19 R H H 164.45 1.77 14.76 16.72 93.98 51.39 -71.40 -28.59 21.84 0.14 78.03 1.24 1.81 19.06 76.10 1.57 0.08 0.06 0.08 20 G C T 41.59 6.44 11.99 19.71 97.48 43.67 -89.12 -4.36 65.53 0.14 34.33 1.91 5.09 56.92 34.23 1.67 0.02 0.05 0.11 21 G C T 56.27 1.74 15.91 17.49 98.64 -113.13 80.29 13.43 98.68 0.27 1.05 25.23 11.12 62.51 0.39 0.50 0.00 0.16 0.09 22 V C C 46.53 14.11 7.55 21.40 114.09 149.08 -83.57 129.55 93.91 4.87 1.22 90.29 2.89 1.00 0.41 0.65 0.00 3.45 1.30 23 K C C 164.53 1.15 16.59 17.12 100.03 -173.32 -91.77 -22.44 92.87 6.13 1.00 60.62 28.76 3.70 0.20 0.88 0.00 5.13 0.71 24 R C C 155.34 2.54 16.87 20.13 126.02 22.06 -132.88 139.80 63.72 34.76 1.52 49.73 10.75 3.23 0.41 1.22 0.00 32.20 2.46 25 I E C 53.18 17.39 8.73 24.85 120.55 -168.48 -116.95 130.19 46.13 52.89 0.98 41.99 2.27 0.42 0.74 0.42 0.00 41.30 12.86 26 S C C 62.46 3.13 16.39 19.98 124.19 -164.76 -101.55 164.62 80.97 17.82 1.21 77.40 2.54 0.74 0.82 0.35 0.00 16.85 1.32 27 G H H 50.67 2.81 15.05 18.50 101.86 -42.18 -1.27 -50.85 36.47 0.56 62.97 4.36 9.27 23.59 55.92 6.08 0.22 0.27 0.28 28 L H H 106.28 2.59 14.97 17.84 93.85 36.40 -69.37 -33.20 24.17 0.29 75.53 3.47 3.67 17.44 68.42 6.57 0.13 0.15 0.15 29 I H H 57.54 8.84 13.89 24.19 92.97 55.44 -65.02 -40.84 11.71 0.31 87.98 4.21 1.93 6.35 81.16 6.02 0.04 0.19 0.11 30 Y H H 74.69 11.69 14.10 26.52 92.15 52.72 -63.36 -41.94 3.21 0.07 96.72 1.42 0.48 1.44 95.04 1.55 0.01 0.04 0.01 31 E H H 118.47 2.39 18.88 21.12 92.10 49.84 -64.71 -40.92 2.01 0.02 97.97 0.55 0.23 1.15 96.91 1.13 0.00 0.01 0.01 32 E H H 105.25 3.30 19.19 22.50 92.50 47.94 -66.03 -41.17 3.31 0.01 96.67 0.43 0.28 2.42 95.76 1.10 0.01 0.01 0.01 33 T H H 28.01 14.20 15.97 30.75 92.88 47.95 -67.13 -40.54 6.31 0.02 93.68 0.74 0.52 4.73 93.25 0.75 0.01 0.01 0.01 34 R H H 93.50 11.02 18.00 29.18 91.86 53.07 -63.17 -41.43 2.86 0.01 97.14 0.50 0.24 1.85 97.09 0.32 0.00 0.00 0.00 35 G H H 34.85 2.96 20.46 23.14 91.77 51.25 -63.65 -41.39 2.78 0.00 97.21 0.32 0.17 2.06 97.06 0.39 0.00 0.00 0.00 36 V H H 64.05 5.67 20.01 26.43 91.85 49.87 -64.63 -41.81 0.60 0.00 99.40 0.10 0.04 0.35 99.34 0.17 0.00 0.00 0.00 37 L H H 35.51 14.52 16.71 31.77 91.91 50.54 -64.21 -41.82 0.14 0.00 99.86 0.02 0.01 0.07 99.85 0.05 0.00 0.00 0.00 38 K H H 99.19 7.15 19.41 27.14 91.79 51.70 -63.65 -41.36 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 39 V H H 79.52 2.63 20.87 22.69 91.80 49.85 -64.03 -42.49 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 40 F H H 80.45 8.04 19.35 28.21 91.95 48.83 -64.62 -42.24 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 41 L H H 38.87 14.08 16.88 31.45 92.09 50.22 -64.82 -41.10 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 42 E H H 95.80 4.96 20.09 25.52 91.79 51.11 -64.03 -41.33 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 43 N H H 79.47 3.44 21.03 24.22 92.12 49.35 -65.86 -40.82 0.41 0.00 99.59 0.02 0.01 0.30 99.64 0.03 0.00 0.00 0.00 44 V H H 37.55 11.80 18.32 31.00 92.25 49.02 -64.66 -42.79 0.57 0.00 99.43 0.06 0.03 0.37 99.50 0.04 0.00 0.00 0.00 45 I H H 53.77 11.64 18.44 30.67 91.82 50.31 -63.97 -42.35 0.42 0.00 99.58 0.09 0.03 0.23 99.54 0.11 0.00 0.00 0.00 46 R H H 135.51 2.49 22.54 24.27 91.67 50.02 -63.82 -41.86 0.46 0.00 99.54 0.08 0.03 0.29 99.47 0.13 0.00 0.00 0.00 47 D H H 66.35 5.17 21.14 26.63 91.98 48.70 -65.28 -40.89 0.88 0.00 99.12 0.13 0.06 0.59 99.04 0.18 0.00 0.00 0.00 48 A H H 17.14 14.53 16.33 31.88 91.95 51.14 -64.06 -41.68 1.28 0.01 98.71 0.21 0.11 0.83 98.58 0.27 0.00 0.00 0.00 49 V H H 61.68 6.91 19.51 27.33 91.90 50.08 -64.34 -41.29 2.25 0.04 97.72 0.43 0.25 1.39 97.54 0.36 0.01 0.02 0.01 50 T H H 73.60 2.15 21.39 22.07 91.85 49.77 -64.52 -42.00 4.30 0.09 95.60 1.02 0.54 2.60 95.17 0.59 0.01 0.05 0.02 51 Y H H 80.16 7.65 17.26 26.19 92.41 48.60 -66.15 -40.75 5.95 0.19 93.86 1.62 0.90 3.54 92.45 1.29 0.03 0.11 0.05 52 T H H 28.59 12.08 12.80 26.23 92.25 51.75 -66.59 -38.72 8.92 0.20 90.88 3.00 1.22 4.72 88.85 2.02 0.02 0.12 0.06 53 E H H 126.60 2.15 16.53 18.79 92.42 52.81 -65.63 -38.02 15.15 0.14 84.72 2.53 1.61 10.67 82.88 2.15 0.03 0.07 0.05 54 H H H 140.33 1.48 14.67 15.76 94.13 48.33 -73.93 -24.40 26.07 0.19 73.74 3.38 3.36 19.26 71.92 1.84 0.05 0.08 0.11 55 A C T 46.29 9.22 8.72 18.88 101.14 64.16 -83.34 -3.03 67.01 0.59 32.39 17.23 15.53 32.70 31.90 2.03 0.02 0.19 0.39 56 K C T 178.68 0.60 14.42 13.61 96.24 -129.05 33.34 16.92 92.34 0.33 7.32 24.42 16.35 51.61 5.44 1.82 0.00 0.14 0.21 57 R C C 118.15 5.57 9.93 17.46 124.05 105.90 -109.91 146.92 93.36 0.96 5.69 57.24 23.60 12.58 3.16 2.38 0.00 0.39 0.65 58 K C S 161.74 2.08 13.76 16.85 97.09 -146.80 -82.48 -15.97 96.51 1.28 2.21 28.90 60.98 6.93 1.02 1.02 0.00 0.79 0.36 59 T C C 85.59 3.26 17.40 21.48 128.42 42.14 -130.59 144.48 73.08 24.21 2.71 43.99 25.61 4.66 1.40 1.53 0.01 18.89 3.90 60 V C C 31.46 18.43 10.25 28.16 118.96 -153.71 -110.61 129.75 67.01 31.93 1.05 61.43 5.34 0.31 1.02 0.26 0.00 23.83 7.81 61 T C C 62.01 4.31 21.68 25.75 124.70 -149.90 -92.41 163.38 82.04 17.24 0.73 82.23 1.21 0.15 0.72 0.09 0.00 13.58 2.02 62 A H H 52.26 11.84 14.15 26.58 91.14 -104.41 -58.37 -39.31 1.98 0.01 98.01 0.32 0.27 1.20 97.82 0.38 0.00 0.00 0.00 63 M H H 111.46 2.91 20.27 22.98 91.53 54.21 -64.13 -40.08 0.63 0.00 99.37 0.08 0.04 0.42 99.18 0.28 0.00 0.00 0.00 64 D H H 43.01 10.42 18.46 29.89 91.93 50.46 -65.39 -40.46 0.20 0.00 99.79 0.03 0.01 0.13 99.58 0.25 0.00 0.00 0.00 65 V H H 15.20 19.23 16.32 35.58 91.84 49.90 -64.24 -43.11 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 66 V H H 56.47 7.48 20.37 28.76 91.42 49.89 -63.51 -42.67 0.13 0.00 99.87 0.01 0.00 0.09 99.85 0.05 0.00 0.00 0.00 67 Y H H 106.87 3.16 22.24 24.83 91.59 49.00 -63.98 -42.09 0.25 0.00 99.75 0.02 0.01 0.17 99.71 0.08 0.00 0.00 0.00 68 A H H 14.03 12.14 16.36 30.51 91.34 51.02 -63.12 -42.67 0.58 0.00 99.42 0.06 0.03 0.39 99.33 0.19 0.00 0.00 0.00 69 L H H 34.36 13.12 14.83 29.02 92.11 49.80 -64.38 -41.13 1.74 0.01 98.25 0.27 0.14 1.16 97.87 0.56 0.00 0.00 0.00 70 K H H 134.99 2.43 16.78 19.74 91.90 50.33 -64.99 -39.33 4.54 0.02 95.44 0.58 0.32 3.27 94.63 1.18 0.00 0.01 0.01 71 R H H 153.32 2.53 14.85 18.11 92.81 50.80 -69.14 -31.84 13.29 0.05 86.65 1.05 0.94 10.91 85.75 1.28 0.02 0.02 0.02 72 Q C T 96.27 6.67 11.83 19.81 96.52 49.61 -87.33 -6.22 56.13 0.19 43.68 2.79 4.28 46.84 44.29 1.59 0.03 0.06 0.13 73 G C T 58.00 2.07 13.85 16.56 98.37 -112.49 77.37 12.56 95.77 0.24 3.99 18.36 8.90 68.83 2.80 0.90 0.00 0.12 0.10 74 R C C 127.78 5.70 11.07 18.62 119.65 128.93 -100.97 140.52 94.34 2.10 3.56 81.84 9.53 2.95 2.05 1.39 0.00 1.03 1.21 75 T C C 85.71 5.01 12.54 19.24 116.34 -137.63 -95.63 137.32 92.10 4.10 3.79 86.04 3.89 2.41 1.68 1.67 0.00 2.25 2.05 76 L C C 95.87 8.31 10.78 20.12 101.60 -146.74 -80.33 -16.96 85.37 4.83 9.80 40.99 24.00 21.11 2.36 6.97 0.01 2.41 2.15 77 Y C T 151.31 4.35 11.35 17.15 111.58 45.71 -96.83 114.82 85.90 5.16 8.94 21.93 27.61 37.14 1.97 6.49 0.02 2.87 1.97 78 G C C 53.66 3.23 10.81 15.58 109.83 -35.18 84.25 56.22 91.01 3.44 5.55 46.41 19.60 25.00 0.92 4.80 0.00 1.92 1.36 79 F C C 144.45 4.18 9.03 14.96 108.92 105.04 -94.70 94.66 95.45 2.69 1.87 86.63 2.99 6.12 0.59 0.87 0.00 1.42 1.38 80 G C C 53.38 3.01 13.10 17.47 108.96 -41.63 86.38 -1.32 99.91 0.08 0.01 99.67 0.19 0.09 0.00 0.00 0.00 0.04 0.01