# 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 101.81 8.54 12.30 21.91 116.84 -154.40 -94.25 135.34 99.93 0.06 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.02 0.01 1 S C C 72.92 5.12 11.16 17.98 113.59 -123.62 -82.93 143.19 95.65 1.40 2.95 92.32 0.89 3.29 0.97 1.18 0.00 0.71 0.65 2 S C C 83.36 3.70 10.74 16.21 110.01 -135.89 -89.33 118.05 91.45 2.43 6.12 59.51 16.63 15.23 1.36 4.84 0.00 1.35 1.08 3 G C C 48.06 4.83 12.34 18.49 113.96 20.83 -106.76 170.28 89.84 3.02 7.14 55.15 20.02 14.72 1.50 5.67 0.00 1.74 1.21 4 F C C 110.09 9.83 10.70 21.18 116.40 -115.47 -95.77 131.52 84.46 6.59 8.95 64.84 11.58 7.80 2.68 6.39 0.00 4.01 2.67 5 H C C 116.22 6.01 14.25 21.60 120.18 -164.61 -107.90 136.26 82.70 8.75 8.54 63.04 11.19 8.27 2.69 5.94 0.00 5.73 3.13 6 F C C 95.36 11.75 11.54 23.59 113.31 -152.60 -97.71 121.96 78.41 8.95 12.64 53.55 12.61 12.19 3.42 9.37 0.01 5.55 3.31 7 H C T 112.14 7.00 13.66 21.72 109.92 -163.67 -96.30 104.67 83.33 5.48 11.19 32.38 17.99 34.18 2.71 7.72 0.01 3.12 1.89 8 D C C 113.76 2.88 16.31 19.85 99.13 -13.61 6.66 39.44 87.82 3.06 9.11 35.04 21.32 32.34 2.24 6.27 0.01 1.63 1.15 9 V C C 41.80 15.37 8.82 23.95 117.47 150.60 -95.64 135.81 90.77 4.22 5.00 71.31 15.68 3.44 2.88 2.19 0.00 1.88 2.62 10 S C C 57.82 3.53 17.06 20.86 119.23 -127.62 -82.92 161.39 94.42 1.65 3.94 87.94 4.91 1.52 3.40 0.63 0.00 0.66 0.95 11 N H H 94.32 8.22 12.45 21.71 94.28 -108.23 -62.19 -34.69 10.55 0.12 89.34 3.40 3.41 4.87 85.56 2.63 0.03 0.04 0.06 12 D H H 106.91 1.33 16.23 16.68 93.10 54.15 -66.15 -38.50 5.96 0.05 93.99 1.02 0.80 4.15 89.25 4.71 0.02 0.03 0.02 13 A H H 43.23 6.59 14.32 22.51 92.51 51.31 -66.55 -39.15 4.21 0.05 95.73 0.86 0.52 2.79 90.26 5.51 0.02 0.03 0.01 14 I H H 32.40 16.74 10.85 27.31 93.41 50.01 -67.25 -37.09 5.01 0.07 94.92 0.95 0.65 3.40 89.71 5.21 0.02 0.04 0.02 15 K H H 131.46 4.57 15.47 21.55 93.16 59.33 -66.83 -25.42 30.04 0.08 69.88 1.34 1.44 27.24 66.14 3.69 0.05 0.04 0.06 16 G C T 58.66 1.36 16.29 16.97 94.86 51.39 -84.57 -5.76 69.80 0.07 30.12 3.07 3.04 62.61 27.95 3.22 0.00 0.03 0.07 17 M C S 59.38 13.37 9.22 22.95 119.14 106.23 -81.74 144.08 99.40 0.32 0.28 39.01 59.99 0.41 0.20 0.05 0.00 0.06 0.27 18 P C C 99.52 2.21 19.07 21.17 115.43 -105.14 -68.34 147.94 99.53 0.25 0.21 97.07 2.24 0.27 0.11 0.05 0.00 0.08 0.18 19 P C C 57.29 15.94 11.25 26.56 114.84 -105.79 -65.60 145.35 98.09 0.70 1.21 92.27 4.92 0.92 0.77 0.28 0.00 0.20 0.63 20 S C C 40.61 9.20 13.94 24.41 118.60 -116.93 -76.89 160.19 95.84 1.57 2.59 91.51 3.57 0.74 2.01 0.38 0.00 0.40 1.39 21 E H H 146.00 1.46 16.94 18.13 91.57 -109.76 -60.44 -35.69 3.63 0.01 96.36 0.99 0.85 1.77 95.61 0.77 0.00 0.00 0.01 22 A H H 49.66 5.41 16.59 23.19 91.74 53.49 -64.54 -40.38 1.43 0.01 98.56 0.23 0.14 0.92 97.89 0.81 0.00 0.00 0.00 23 L H H 20.36 18.60 13.06 31.91 92.07 49.44 -65.70 -41.33 0.69 0.00 99.31 0.15 0.07 0.39 98.49 0.89 0.00 0.00 0.00 24 H H H 89.00 8.77 18.39 27.79 91.46 51.51 -62.71 -41.70 0.42 0.00 99.58 0.10 0.03 0.22 99.39 0.26 0.00 0.00 0.00 25 K H H 121.66 1.85 22.57 22.79 91.80 49.77 -64.53 -41.79 0.68 0.00 99.32 0.09 0.04 0.45 99.22 0.20 0.00 0.00 0.00 26 H H H 56.03 11.61 19.56 31.67 92.06 49.44 -65.06 -41.94 1.24 0.00 98.76 0.11 0.06 0.95 98.66 0.21 0.00 0.00 0.00 27 L H H 26.37 18.39 17.44 35.73 91.88 50.07 -64.32 -41.60 0.99 0.00 99.01 0.17 0.07 0.61 98.98 0.16 0.00 0.00 0.00 28 E H H 96.33 4.35 23.51 27.84 91.42 50.82 -63.44 -41.76 0.31 0.00 99.69 0.07 0.02 0.15 99.71 0.04 0.00 0.00 0.00 29 N H H 81.63 3.84 24.17 27.67 91.91 48.95 -65.02 -40.78 0.25 0.00 99.75 0.04 0.01 0.15 99.76 0.04 0.00 0.00 0.00 30 A H H 11.44 17.79 18.02 36.33 91.58 50.80 -64.29 -42.10 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 31 Q H H 63.10 12.88 21.89 34.29 91.66 51.43 -63.12 -42.11 0.28 0.00 99.72 0.03 0.01 0.19 99.74 0.04 0.00 0.00 0.00 32 L H H 85.52 3.04 25.17 27.24 91.48 49.87 -63.62 -42.23 0.40 0.00 99.60 0.04 0.02 0.27 99.64 0.04 0.00 0.00 0.00 33 A H H 29.64 9.83 22.17 32.93 91.57 50.45 -64.13 -41.32 0.20 0.00 99.80 0.03 0.01 0.12 99.83 0.02 0.00 0.00 0.00 34 H H H 26.54 19.83 19.06 38.41 91.55 51.02 -63.74 -41.87 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.01 0.00 0.00 0.00 35 R H H 113.52 7.65 24.06 31.93 91.42 50.95 -63.21 -41.86 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 36 I H H 85.94 3.58 25.41 28.45 91.57 49.24 -64.10 -42.69 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 37 C H H 15.47 15.04 20.30 36.15 91.70 49.12 -64.08 -43.11 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.01 0.00 0.00 0.00 38 L H H 29.58 16.65 19.60 36.03 91.72 49.80 -63.75 -42.39 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 39 A H H 49.63 3.89 22.82 26.44 91.17 50.24 -63.34 -42.08 0.34 0.00 99.66 0.03 0.01 0.21 99.70 0.05 0.00 0.00 0.00 40 K H H 99.78 3.78 22.17 25.65 91.88 49.05 -65.55 -40.91 0.92 0.00 99.08 0.07 0.05 0.66 99.07 0.15 0.00 0.00 0.00 41 A H H 10.87 14.87 13.37 29.75 91.77 51.13 -64.23 -41.33 1.92 0.01 98.07 0.23 0.14 1.33 97.78 0.52 0.00 0.00 0.00 42 L H H 83.19 7.75 15.60 24.33 92.21 50.32 -65.26 -38.96 5.25 0.01 94.74 0.47 0.32 4.17 94.09 0.93 0.00 0.00 0.00 43 K H H 161.48 0.91 16.24 15.89 91.79 50.96 -68.80 -29.27 15.68 0.05 84.27 1.27 1.43 12.65 83.61 0.98 0.02 0.01 0.03 44 A C T 64.08 4.50 11.74 17.73 95.02 53.62 -84.15 -6.28 76.68 0.10 23.21 3.64 6.84 63.35 24.82 1.20 0.00 0.03 0.10 45 G C T 66.28 0.67 15.04 14.49 95.47 -117.10 70.46 22.33 99.34 0.03 0.63 14.74 6.66 78.07 0.35 0.15 0.00 0.02 0.01 46 E C C 75.82 8.27 9.84 19.84 122.78 138.11 -94.17 150.11 99.69 0.20 0.11 71.68 27.75 0.26 0.06 0.03 0.00 0.05 0.17 47 P C C 69.14 3.95 17.88 22.42 113.22 -98.82 -64.72 144.92 99.71 0.06 0.23 98.35 1.23 0.19 0.15 0.02 0.00 0.02 0.03 48 P H H 48.58 15.05 13.14 28.38 92.10 -120.67 -59.21 -36.44 12.25 0.09 87.66 3.62 2.00 6.54 75.15 12.58 0.02 0.04 0.04 49 V H H 57.25 13.96 15.99 29.81 92.43 58.61 -65.71 -34.63 7.23 0.12 92.64 1.24 0.88 4.73 76.74 16.28 0.02 0.08 0.03 50 E H H 110.24 5.28 20.17 26.00 93.60 50.84 -72.87 -26.31 5.13 0.14 94.74 1.16 0.65 3.03 77.74 17.28 0.01 0.11 0.02 51 K H H 87.99 10.50 19.03 29.59 96.85 48.38 -84.20 -24.51 11.04 0.38 88.57 2.42 1.79 6.85 76.34 12.17 0.07 0.24 0.12 52 C H H 21.05 19.97 15.05 34.22 104.00 55.21 -97.57 14.40 42.34 3.00 54.65 12.13 8.79 23.33 46.35 5.86 0.46 1.47 1.60 53 A C C 40.53 12.79 20.56 33.36 109.52 110.32 -82.58 116.42 66.29 6.60 27.11 37.22 16.38 13.08 23.80 3.51 0.09 3.26 2.67 54 L C C 32.80 18.25 16.67 34.53 117.82 -143.27 -88.99 142.28 75.46 6.42 18.12 50.01 17.42 7.76 16.48 2.64 0.03 3.25 2.41 55 T C C 52.82 7.88 22.88 30.88 120.91 -124.75 -84.46 162.40 75.23 7.05 17.71 62.05 8.60 3.64 17.55 1.67 0.00 2.79 3.69 56 W H H 99.93 15.13 16.17 31.01 92.37 -107.61 -59.73 -37.76 6.77 0.09 93.13 2.41 1.21 3.31 92.12 0.85 0.01 0.04 0.04 57 G H H 37.00 4.70 20.73 25.65 91.74 53.88 -63.90 -40.90 3.99 0.04 95.97 0.98 0.53 2.48 95.22 0.75 0.01 0.02 0.01 58 E H H 78.31 7.84 21.06 29.38 92.10 48.65 -66.70 -39.76 1.21 0.02 98.77 0.43 0.15 0.61 98.35 0.45 0.00 0.01 0.00 59 V H H 7.95 21.64 15.99 37.82 91.89 50.41 -64.26 -43.66 0.47 0.01 99.52 0.16 0.05 0.22 99.45 0.11 0.00 0.00 0.00 60 L H H 58.17 11.18 20.48 31.94 91.34 50.35 -62.85 -42.34 0.28 0.00 99.72 0.07 0.02 0.14 99.71 0.06 0.00 0.00 0.00 61 I H H 90.54 2.92 22.92 24.87 91.40 49.34 -63.73 -42.51 0.22 0.00 99.78 0.04 0.01 0.12 99.77 0.05 0.00 0.00 0.00 62 R H H 68.67 12.19 20.03 32.45 92.02 49.50 -64.77 -41.60 0.32 0.00 99.68 0.04 0.02 0.20 99.67 0.07 0.00 0.00 0.00 63 Y H H 32.04 18.94 16.97 35.55 92.02 49.76 -64.60 -41.15 0.46 0.00 99.54 0.05 0.02 0.32 99.50 0.10 0.00 0.00 0.00 64 Q H H 93.34 5.03 21.27 26.60 91.79 51.13 -64.27 -40.18 1.03 0.00 98.96 0.09 0.05 0.81 98.82 0.24 0.00 0.00 0.00 65 A H H 49.42 4.03 20.11 24.39 91.96 50.67 -65.11 -40.31 3.66 0.00 96.33 0.26 0.21 3.06 95.52 0.94 0.00 0.00 0.00 66 W H H 49.57 14.46 15.61 30.64 93.07 48.84 -67.09 -37.92 4.87 0.01 95.12 0.48 0.36 3.71 90.94 4.49 0.01 0.01 0.00 67 S H H 36.78 12.60 14.26 27.45 91.86 57.16 -66.05 -31.68 9.38 0.03 90.59 0.78 0.61 7.28 80.24 11.05 0.02 0.02 0.01 68 E H H 139.89 1.89 18.21 19.84 92.10 58.13 -72.79 -18.97 29.65 0.04 70.31 1.05 1.30 26.75 61.77 9.05 0.02 0.02 0.04 69 Y H H 127.73 6.16 14.49 21.78 98.67 51.51 -92.43 -3.19 47.37 0.20 52.44 4.99 6.22 35.71 45.15 7.60 0.06 0.07 0.19 70 R C S 93.27 11.86 11.32 23.69 118.33 92.37 -96.81 135.65 95.79 0.55 3.66 41.86 52.00 1.99 2.61 0.80 0.00 0.12 0.61 71 P C C 75.49 5.21 16.37 22.65 115.73 -107.37 -67.42 150.80 79.15 0.36 20.49 61.63 5.59 9.44 3.08 19.88 0.00 0.19 0.20 72 P C C 73.03 8.86 15.46 25.07 109.29 -99.67 -67.79 142.35 71.77 0.55 27.68 31.76 12.86 24.21 2.92 27.64 0.00 0.26 0.34 73 F C C 54.78 17.16 9.72 25.73 110.29 -112.47 -88.20 120.76 73.89 1.50 24.60 48.07 8.96 14.66 3.14 23.62 0.00 0.73 0.81 74 Q C C 137.92 2.17 15.96 18.64 100.86 139.31 -96.92 -11.18 92.12 1.02 6.85 57.47 26.90 7.61 2.32 4.48 0.00 0.42 0.80 75 D C S 71.78 5.00 12.15 18.81 124.17 74.59 -106.23 148.24 94.85 1.27 3.88 39.91 52.30 2.54 3.11 0.70 0.00 0.26 1.18 76 S H H 84.44 2.14 13.21 16.42 93.48 -125.82 -61.80 -36.63 7.55 0.03 92.41 1.54 2.45 3.58 91.26 1.14 0.01 0.01 0.02 77 V H H 99.10 1.67 16.69 17.69 92.08 52.66 -65.08 -40.92 3.00 0.01 96.99 0.40 0.35 2.09 96.02 1.13 0.00 0.00 0.00 78 A H H 15.44 13.52 12.35 27.31 92.04 49.56 -65.03 -41.36 1.48 0.01 98.51 0.31 0.17 0.87 97.51 1.12 0.00 0.00 0.00 79 Q H H 63.40 10.94 14.79 26.63 91.57 52.12 -62.98 -41.41 0.61 0.00 99.38 0.14 0.07 0.31 99.01 0.47 0.00 0.00 0.00 80 A H H 57.90 2.03 20.04 20.80 91.56 50.22 -64.02 -41.50 0.73 0.00 99.27 0.13 0.06 0.42 99.00 0.39 0.00 0.00 0.00 81 K H H 93.68 5.55 19.01 25.31 92.00 49.59 -65.29 -40.76 1.26 0.01 98.74 0.15 0.09 0.86 98.27 0.62 0.00 0.00 0.00 82 Y H H 29.27 19.19 13.14 32.05 92.27 50.54 -64.98 -39.86 1.93 0.01 98.06 0.27 0.15 1.30 97.00 1.26 0.00 0.00 0.00 83 K H H 113.12 6.89 17.99 25.95 91.50 54.97 -64.43 -34.58 5.65 0.02 94.33 0.61 0.36 4.45 90.49 4.06 0.01 0.01 0.01 84 K H H 139.27 1.74 20.54 21.15 92.33 53.34 -70.90 -31.79 19.38 0.04 80.58 0.79 0.90 17.66 75.45 5.13 0.03 0.02 0.02 85 Y H H 70.43 12.54 16.55 29.45 99.79 42.85 -91.42 -24.27 34.52 0.26 65.22 4.04 3.91 26.55 59.96 5.19 0.08 0.11 0.16 86 W C C 50.86 17.72 12.49 29.76 115.88 71.18 -99.18 126.73 65.17 5.55 29.28 36.66 16.05 12.73 25.87 3.29 0.07 2.20 3.14 87 S C C 40.37 6.65 15.89 24.09 120.13 -153.30 -90.98 159.60 71.50 4.68 23.81 50.56 16.16 4.50 22.62 1.94 0.01 2.13 2.09 88 K H H 131.97 3.79 14.93 20.09 93.40 -109.40 -61.67 -36.46 19.85 0.93 79.21 9.20 4.70 7.86 70.64 6.69 0.07 0.57 0.28 89 K H H 127.38 2.10 16.47 18.48 92.59 53.86 -65.39 -39.06 14.94 0.44 84.62 5.95 2.74 7.22 75.48 8.14 0.05 0.29 0.14 90 R H H 77.61 9.35 13.39 24.08 92.92 49.93 -66.66 -39.00 11.96 0.38 87.66 5.53 2.07 5.16 76.89 9.96 0.02 0.27 0.11 91 Q H H 70.61 8.52 13.35 23.30 92.26 53.27 -64.33 -40.05 13.62 0.37 86.02 6.24 2.47 5.96 77.47 7.48 0.03 0.22 0.13 92 E H H 112.72 2.20 15.76 17.94 92.82 51.43 -65.63 -38.07 21.92 0.49 77.59 9.12 3.98 10.35 69.62 6.41 0.04 0.26 0.21 93 E H H 103.41 3.55 14.06 18.54 93.21 52.82 -67.67 -36.55 29.52 0.58 69.90 13.78 5.57 11.75 62.68 5.64 0.03 0.28 0.27 94 D H H 70.19 7.72 11.62 20.69 95.01 55.22 -74.32 -26.56 39.91 0.90 59.20 21.46 6.56 13.67 50.97 6.44 0.03 0.41 0.45 95 D C H 88.72 4.94 11.90 18.36 97.12 60.97 -76.80 -16.01 52.66 0.79 46.55 24.73 8.11 21.07 38.73 6.54 0.03 0.34 0.46 96 K C T 144.03 2.26 12.55 15.55 99.43 62.75 -83.45 -0.59 66.70 0.88 32.42 25.60 16.30 25.84 24.88 6.41 0.03 0.33 0.61 97 N C C 72.26 7.03 8.78 17.55 110.40 102.72 -88.05 114.95 94.44 0.80 4.75 62.58 27.90 4.00 2.28 2.29 0.00 0.29 0.67 98 P C T 95.58 3.65 10.74 16.22 95.29 -156.80 -66.35 -19.68 91.67 0.54 7.79 22.66 11.31 58.02 1.83 5.63 0.00 0.27 0.28 99 F C T 127.74 5.37 9.05 15.94 99.71 61.57 -86.69 4.26 92.47 0.59 6.94 37.02 4.14 52.50 1.63 4.08 0.00 0.33 0.30 100 K C C 135.91 4.12 12.01 17.90 106.75 102.84 -80.22 96.10 99.86 0.08 0.06 99.50 0.29 0.12 0.02 0.01 0.00 0.04 0.02