# 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 67.90 5.51 13.39 20.32 113.22 -121.53 -76.39 145.66 99.96 0.02 0.02 99.90 0.04 0.03 0.01 0.00 0.00 0.01 0.00 1 R C C 159.36 3.81 11.40 16.96 113.26 -129.56 -89.16 128.97 90.94 3.46 5.60 88.24 1.40 1.92 4.40 0.76 0.00 1.53 1.74 2 V C C 78.57 8.50 8.80 18.42 116.14 -146.12 -94.56 130.96 86.44 3.47 10.08 76.53 6.37 3.12 9.20 1.54 0.00 1.98 1.27 3 K C C 140.30 2.96 13.35 17.76 112.33 -144.58 -88.15 127.54 83.05 2.75 14.20 70.32 7.21 4.36 13.91 1.73 0.00 1.61 0.86 4 R C C 135.70 6.86 11.95 20.00 107.31 -144.05 -84.32 94.59 68.10 1.45 30.44 48.07 10.52 7.32 30.93 1.94 0.00 0.67 0.54 5 G H H 32.67 7.36 12.99 21.49 109.57 56.71 -34.96 -134.85 46.55 0.51 52.94 29.58 8.87 6.99 52.57 1.59 0.00 0.19 0.21 6 V H H 98.32 2.70 14.90 18.02 94.22 -22.58 -66.27 -38.25 12.16 0.19 87.65 6.34 2.46 3.85 85.78 1.40 0.01 0.08 0.06 7 I H H 93.39 3.24 16.84 20.40 93.00 50.58 -66.21 -40.57 6.48 0.14 93.37 3.32 1.11 2.41 91.81 1.22 0.01 0.07 0.04 8 A H H 23.18 11.50 13.36 26.40 92.49 51.09 -64.78 -41.10 4.38 0.08 95.54 2.25 0.64 1.68 94.34 1.02 0.00 0.04 0.02 9 R H H 111.19 7.11 17.16 25.23 92.16 50.78 -64.48 -40.68 3.15 0.03 96.81 1.29 0.40 1.40 96.28 0.60 0.00 0.02 0.01 10 A H H 53.82 2.80 19.39 21.80 91.90 50.49 -64.26 -41.74 1.82 0.01 98.17 0.63 0.20 0.81 98.05 0.31 0.00 0.00 0.00 11 R H H 104.44 6.36 19.10 26.14 92.13 49.58 -65.45 -40.79 1.48 0.01 98.52 0.42 0.13 0.73 98.45 0.25 0.00 0.00 0.00 12 H H H 44.23 15.49 15.43 30.99 92.14 50.77 -64.43 -40.87 1.11 0.00 98.89 0.28 0.09 0.56 98.88 0.19 0.00 0.00 0.00 13 K H H 108.44 4.70 20.24 25.45 91.70 50.87 -64.03 -40.41 0.86 0.00 99.14 0.20 0.07 0.43 99.16 0.14 0.00 0.00 0.00 14 K H H 110.25 2.69 21.36 23.10 91.86 49.98 -64.64 -41.27 0.99 0.00 99.01 0.21 0.08 0.54 99.00 0.17 0.00 0.00 0.00 15 I H H 31.17 13.33 16.78 31.13 92.18 49.44 -64.56 -42.63 0.85 0.00 99.15 0.15 0.07 0.51 98.97 0.29 0.00 0.00 0.00 16 L H H 44.32 13.96 15.84 30.19 91.98 50.77 -63.79 -40.50 1.15 0.00 98.85 0.16 0.09 0.76 98.15 0.84 0.00 0.00 0.00 17 K H H 133.82 1.99 20.91 22.06 91.88 51.05 -64.81 -38.66 4.65 0.00 95.34 0.31 0.25 3.88 93.69 1.86 0.01 0.00 0.00 18 Q H H 101.76 4.41 18.15 23.14 92.54 51.01 -70.25 -28.03 13.52 0.02 86.46 0.63 0.81 11.81 84.37 2.34 0.02 0.01 0.01 19 A H H 17.98 17.91 10.43 27.95 95.89 55.89 -82.37 -9.49 45.96 0.22 53.81 8.97 6.02 31.31 47.95 5.45 0.03 0.08 0.19 20 K C T 140.25 4.18 15.18 21.55 105.42 117.30 -65.48 113.47 80.54 0.36 19.10 8.40 5.42 66.76 10.29 8.66 0.00 0.16 0.31 21 G C T 60.38 1.42 16.29 17.33 97.94 23.34 79.74 -0.98 86.51 0.32 13.17 10.02 8.24 68.32 3.82 9.21 0.00 0.17 0.22 22 Y C C 99.03 11.69 9.65 21.70 113.13 108.27 -86.80 125.38 89.71 1.56 8.73 71.60 10.05 7.90 2.59 6.14 0.00 0.76 0.96 23 Y C C 160.89 3.27 13.35 18.21 114.48 -170.05 -104.95 126.94 88.06 4.33 7.61 61.31 12.41 14.20 3.51 3.79 0.00 1.97 2.80 24 G C S 41.86 4.62 13.84 19.85 125.90 39.92 115.99 -167.25 87.44 2.26 10.30 28.24 35.17 24.96 4.05 5.35 0.01 1.07 1.15 25 A C C 66.25 4.47 13.26 19.02 111.30 -59.86 -77.77 133.87 82.62 1.28 16.09 57.29 14.18 11.01 10.28 5.87 0.00 0.54 0.83 26 R H H 142.15 5.70 12.08 19.33 96.75 -129.84 -65.71 -35.52 28.30 0.52 71.17 14.67 6.59 8.83 60.95 8.46 0.02 0.24 0.24 27 S H H 76.39 2.48 14.30 17.32 93.88 57.09 -66.21 -34.09 18.41 0.21 81.38 5.59 3.18 9.72 72.07 9.21 0.04 0.11 0.10 28 R H H 137.61 2.69 15.54 18.51 94.45 50.46 -72.09 -34.45 13.68 0.24 86.07 5.43 2.17 6.43 77.29 8.43 0.02 0.14 0.09 29 V H H 48.18 9.93 13.39 24.59 93.06 52.74 -65.60 -41.26 6.28 0.11 93.61 3.29 1.01 2.27 91.78 1.57 0.00 0.05 0.03 30 Y H H 97.58 9.06 15.95 25.69 92.47 50.73 -65.19 -41.50 2.44 0.03 97.53 0.95 0.31 1.04 97.19 0.49 0.00 0.01 0.01 31 R H H 139.09 2.39 19.83 21.74 92.41 50.13 -65.35 -41.39 1.28 0.01 98.71 0.39 0.13 0.61 98.58 0.28 0.00 0.00 0.00 32 V H H 64.25 5.38 19.47 25.51 92.44 49.18 -65.27 -41.98 0.56 0.00 99.43 0.14 0.05 0.27 99.40 0.14 0.00 0.00 0.00 33 A H H 21.12 13.54 15.78 30.44 92.07 50.73 -63.85 -42.30 0.37 0.00 99.63 0.07 0.02 0.19 99.64 0.08 0.00 0.00 0.00 34 F H H 91.01 7.48 19.83 27.77 91.87 49.68 -64.18 -41.50 0.27 0.00 99.73 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 35 Q H H 97.77 2.93 21.93 24.20 91.96 49.81 -64.61 -41.16 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 36 A H H 32.97 8.80 18.21 28.35 92.14 50.21 -64.85 -40.87 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 37 V H H 47.19 11.66 17.81 29.94 92.30 49.08 -64.86 -42.00 0.28 0.00 99.72 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 38 I H H 86.27 4.62 20.56 25.25 91.91 48.91 -64.46 -41.99 0.67 0.00 99.32 0.07 0.04 0.43 99.38 0.07 0.00 0.00 0.00 39 K H H 112.86 3.02 21.15 23.81 92.18 48.67 -65.04 -41.28 1.14 0.00 98.86 0.14 0.07 0.72 98.94 0.12 0.00 0.00 0.00 40 A H H 33.82 9.18 17.23 27.56 91.98 50.50 -64.24 -40.88 1.00 0.00 99.00 0.12 0.06 0.62 99.01 0.18 0.00 0.00 0.00 41 G H H 26.95 8.03 17.76 26.63 92.39 51.04 -63.99 -40.95 1.49 0.00 98.51 0.17 0.08 0.99 98.49 0.26 0.00 0.00 0.00 42 Q H H 97.37 3.05 19.96 22.68 92.26 50.45 -65.24 -41.22 1.32 0.00 98.68 0.19 0.09 0.82 98.62 0.28 0.00 0.00 0.00 43 Y H H 110.43 4.06 19.35 23.60 92.17 49.32 -65.22 -41.35 1.13 0.00 98.87 0.19 0.09 0.67 98.74 0.30 0.00 0.00 0.00 44 A H H 34.43 8.57 15.90 25.67 92.13 51.22 -64.09 -41.48 1.42 0.00 98.58 0.24 0.11 0.85 98.49 0.30 0.00 0.00 0.00 45 Y H H 114.41 4.49 18.15 22.99 92.15 49.68 -65.16 -41.42 1.72 0.00 98.28 0.28 0.14 1.10 98.09 0.39 0.00 0.00 0.00 46 R H H 128.95 2.21 18.93 20.42 92.09 49.68 -64.87 -41.50 2.23 0.00 97.77 0.35 0.19 1.43 97.70 0.32 0.00 0.00 0.00 47 D H H 61.97 4.91 16.72 22.57 92.55 49.45 -66.13 -40.02 4.11 0.00 95.88 0.81 0.34 2.50 96.03 0.32 0.00 0.00 0.00 48 R H H 101.32 7.20 16.05 23.90 92.15 51.06 -64.38 -41.03 1.23 0.00 98.77 0.23 0.11 0.67 98.79 0.19 0.00 0.00 0.00 49 R H H 129.32 2.78 17.71 20.57 92.15 49.87 -65.16 -41.20 0.91 0.00 99.09 0.14 0.07 0.54 99.08 0.17 0.00 0.00 0.00 50 Q H H 94.88 2.43 17.98 20.03 92.02 49.42 -65.05 -41.23 0.93 0.00 99.07 0.16 0.07 0.54 99.07 0.16 0.00 0.00 0.00 51 R H H 110.09 5.22 16.76 22.67 92.07 49.86 -64.68 -41.19 0.72 0.00 99.28 0.13 0.05 0.39 99.32 0.11 0.00 0.00 0.00 52 K H H 93.50 6.71 16.57 24.22 92.00 50.41 -64.59 -41.01 0.54 0.00 99.46 0.08 0.03 0.30 99.49 0.10 0.00 0.00 0.00 53 R H H 127.01 2.85 18.26 21.14 92.13 50.28 -64.94 -41.08 0.37 0.00 99.63 0.05 0.02 0.21 99.65 0.07 0.00 0.00 0.00 54 Q H H 95.93 2.88 19.13 21.63 91.90 49.60 -65.01 -41.38 0.32 0.00 99.67 0.04 0.02 0.19 99.70 0.06 0.00 0.00 0.00 55 F H H 75.77 8.53 17.22 26.75 92.22 49.30 -64.68 -41.76 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.05 0.00 0.00 0.00 56 R H H 94.16 10.81 17.59 28.71 91.91 51.61 -63.51 -41.12 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 57 Q H H 101.73 3.24 20.60 23.64 91.90 50.15 -64.82 -41.15 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 58 L H H 78.26 4.51 21.25 25.81 92.07 49.53 -64.71 -41.61 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 59 W H H 43.64 15.86 18.23 34.26 91.92 49.49 -64.21 -42.42 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 60 I H H 47.04 13.43 19.73 33.34 91.73 50.07 -63.48 -41.98 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 61 A H H 57.12 3.16 23.90 26.27 91.62 50.62 -64.18 -41.44 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 62 R H H 94.69 8.91 23.12 32.08 91.97 49.35 -65.84 -41.36 0.22 0.00 99.78 0.01 0.01 0.17 99.78 0.03 0.00 0.00 0.00 63 I H H 10.33 22.39 18.31 40.67 91.76 49.24 -64.65 -42.89 0.29 0.00 99.71 0.02 0.01 0.19 99.74 0.03 0.00 0.00 0.00 64 N H H 64.05 9.72 22.98 32.85 91.44 50.90 -63.11 -41.47 0.47 0.00 99.53 0.05 0.02 0.27 99.61 0.05 0.00 0.00 0.00 65 A H H 47.34 3.19 24.32 26.91 91.34 50.46 -63.46 -42.19 0.33 0.00 99.67 0.03 0.01 0.20 99.68 0.08 0.00 0.00 0.00 66 A H H 14.84 12.20 19.02 32.85 91.61 50.48 -64.14 -42.17 0.37 0.00 99.63 0.03 0.02 0.25 99.59 0.12 0.00 0.00 0.00 67 A H H 9.18 17.49 14.00 32.39 91.51 51.13 -63.52 -41.68 0.68 0.00 99.32 0.08 0.04 0.43 99.22 0.23 0.00 0.00 0.00 68 R H H 161.23 2.18 18.76 21.28 91.80 50.41 -63.83 -40.70 1.38 0.00 98.62 0.13 0.07 1.03 98.01 0.74 0.00 0.00 0.00 69 Q H H 130.33 2.03 17.01 19.31 91.59 52.11 -66.39 -30.52 6.98 0.01 93.02 0.19 0.25 6.63 92.13 0.78 0.01 0.00 0.00 70 N C T 71.40 9.37 12.97 23.53 95.33 44.32 -95.79 2.69 64.34 0.01 35.65 0.37 1.19 62.73 34.76 0.93 0.00 0.00 0.01 71 G C T 62.36 0.96 19.01 18.25 95.02 -111.69 76.18 18.24 99.91 0.00 0.09 1.46 1.58 96.91 0.03 0.01 0.00 0.00 0.00 72 I C C 34.02 16.51 9.75 26.27 121.29 135.79 -104.80 140.48 99.62 0.34 0.04 95.43 4.08 0.08 0.02 0.01 0.00 0.09 0.28 73 S C C 58.19 2.92 23.08 24.75 119.05 -127.07 -80.87 154.48 99.75 0.18 0.07 99.54 0.24 0.04 0.04 0.00 0.00 0.04 0.10 74 Y H H 67.80 18.86 12.96 30.98 92.03 -118.46 -59.17 -38.51 2.30 0.00 97.69 0.50 0.32 1.21 97.35 0.61 0.00 0.00 0.00 75 S H H 72.43 2.93 20.59 23.80 91.25 56.26 -63.19 -39.65 0.90 0.00 99.10 0.10 0.06 0.61 98.41 0.82 0.00 0.00 0.00 76 K H H 101.59 5.45 21.52 27.33 91.87 50.09 -65.72 -40.50 0.31 0.00 99.69 0.04 0.02 0.19 98.98 0.77 0.00 0.00 0.00 77 F H H 8.37 23.47 15.95 39.36 91.90 49.40 -64.37 -43.56 0.39 0.00 99.61 0.05 0.02 0.23 99.35 0.35 0.00 0.00 0.00 78 I H H 38.68 14.97 20.24 35.10 91.88 49.32 -63.98 -42.64 0.61 0.00 99.39 0.06 0.03 0.41 99.39 0.11 0.00 0.00 0.00 79 N H H 82.72 2.58 24.64 25.85 91.64 50.42 -63.53 -41.54 0.67 0.00 99.33 0.07 0.04 0.44 99.31 0.14 0.00 0.00 0.00 80 G H H 9.38 12.75 18.91 33.14 91.87 51.29 -63.66 -42.43 1.11 0.00 98.89 0.09 0.06 0.79 98.72 0.33 0.00 0.00 0.00 81 L H H 9.67 21.80 14.66 36.46 92.13 50.47 -64.31 -41.81 1.43 0.00 98.57 0.18 0.12 0.98 97.95 0.77 0.00 0.00 0.00 82 K H H 126.14 4.46 19.31 25.00 91.64 50.99 -63.61 -40.10 2.85 0.01 97.14 0.30 0.20 2.12 96.18 1.19 0.01 0.00 0.00 83 K H H 140.24 2.26 18.74 21.15 91.19 52.38 -65.93 -30.16 10.65 0.02 89.34 0.43 0.53 9.63 88.22 1.15 0.02 0.00 0.01 84 A C T 29.48 14.23 13.00 27.80 94.40 52.18 -87.18 -1.56 81.05 0.05 18.89 1.06 2.87 76.11 18.71 1.16 0.00 0.02 0.06 85 S C T 92.38 1.68 20.26 21.35 94.03 -118.37 62.30 36.24 98.76 0.03 1.21 4.26 2.28 92.46 0.72 0.25 0.00 0.02 0.01 86 V C C 24.33 19.56 10.21 29.11 115.81 148.30 -99.38 126.87 96.87 2.17 0.96 92.57 3.32 1.21 0.39 0.44 0.00 1.42 0.66 87 E C C 141.97 1.96 22.76 24.09 109.71 -138.59 -90.37 115.77 95.16 4.24 0.60 91.24 3.27 1.06 0.26 0.26 0.00 3.02 0.90 88 I C C 22.26 22.75 9.68 31.19 124.51 164.64 -118.70 138.91 95.42 4.35 0.24 87.50 8.40 0.21 0.16 0.06 0.00 2.13 1.53 89 D C C 79.50 3.66 22.55 25.49 116.90 -116.42 -78.05 150.64 99.32 0.45 0.23 98.86 0.56 0.10 0.16 0.02 0.00 0.18 0.12 90 R H H 110.37 14.06 14.42 28.29 92.03 -117.08 -59.97 -37.09 1.72 0.00 98.28 0.26 0.22 0.97 98.26 0.29 0.00 0.00 0.00 91 K H H 124.06 4.54 20.48 25.68 91.86 54.56 -63.75 -40.60 0.85 0.00 99.15 0.07 0.06 0.62 98.87 0.38 0.00 0.00 0.00 92 I H H 45.28 11.61 20.44 32.67 92.01 48.82 -65.49 -42.03 0.60 0.00 99.40 0.05 0.03 0.44 99.05 0.42 0.00 0.00 0.00 93 L H H 8.93 22.66 18.48 40.84 91.43 50.24 -63.19 -42.96 0.17 0.00 99.82 0.02 0.01 0.10 99.80 0.07 0.00 0.00 0.00 94 A H H 17.47 15.27 20.90 36.68 91.24 51.39 -63.09 -41.75 0.26 0.00 99.74 0.02 0.01 0.15 99.75 0.06 0.00 0.00 0.00 95 D H H 62.63 6.67 25.53 32.66 91.65 50.60 -64.60 -40.97 0.51 0.00 99.49 0.03 0.02 0.37 99.48 0.10 0.00 0.00 0.00 96 I H H 16.71 16.97 21.20 38.48 91.74 50.50 -64.35 -41.61 0.45 0.00 99.55 0.03 0.03 0.32 99.41 0.21 0.00 0.00 0.00 97 A H H 8.70 20.96 17.80 38.72 91.58 51.80 -65.37 -35.87 1.29 0.00 98.71 0.10 0.06 1.02 98.18 0.63 0.00 0.00 0.00 98 V H H 65.74 10.57 20.80 31.27 95.26 48.87 -75.06 -33.95 7.11 0.00 92.88 0.12 0.20 7.05 91.98 0.63 0.00 0.00 0.00 99 F H H 112.44 6.01 20.15 26.63 101.30 32.22 -94.94 -28.59 14.63 0.02 85.34 0.33 1.42 12.57 85.25 0.40 0.02 0.00 0.02 100 D C C 56.47 10.43 16.69 27.77 116.27 17.70 -137.79 96.67 98.76 0.16 1.08 92.53 5.16 1.00 1.04 0.10 0.00 0.05 0.13 101 K H H 95.56 13.40 15.06 28.51 93.79 -177.16 -62.92 -36.04 2.27 0.00 97.73 0.32 0.21 1.47 97.34 0.66 0.00 0.00 0.00 102 V H H 93.87 2.98 23.13 25.82 91.81 54.82 -64.09 -40.65 0.85 0.00 99.15 0.06 0.04 0.65 98.68 0.57 0.00 0.00 0.00 103 A H H 19.09 12.82 19.70 33.58 91.63 50.13 -64.63 -42.06 0.26 0.00 99.74 0.03 0.01 0.16 99.32 0.48 0.00 0.00 0.00 104 F H H 7.86 24.14 17.27 41.38 91.54 50.23 -63.63 -42.89 0.18 0.00 99.82 0.02 0.01 0.11 99.71 0.15 0.00 0.00 0.00 105 T H H 52.49 8.99 23.88 33.08 91.49 50.88 -63.52 -41.91 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 106 A H H 41.59 4.85 24.78 29.90 91.33 51.09 -63.38 -42.61 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 107 L H H 11.58 19.90 20.76 40.55 91.49 49.47 -64.19 -43.37 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 108 V H H 16.60 20.04 19.72 39.45 91.54 49.96 -63.47 -42.76 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 109 E H H 109.34 3.14 25.10 27.81 91.37 50.30 -63.60 -41.75 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 110 K H H 98.18 5.43 23.50 28.98 91.79 48.84 -65.12 -40.96 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 111 A H H 6.52 20.56 14.92 35.91 91.62 50.33 -64.37 -41.60 0.35 0.00 99.65 0.03 0.02 0.22 99.65 0.08 0.00 0.00 0.00 112 K H H 96.86 9.85 18.68 28.85 91.62 52.22 -62.84 -41.26 0.81 0.00 99.19 0.08 0.04 0.56 99.01 0.30 0.00 0.00 0.00 113 A H H 73.22 1.63 19.78 19.97 92.06 50.73 -65.29 -38.08 2.96 0.00 97.03 0.18 0.14 2.38 96.48 0.81 0.00 0.00 0.00 114 A H H 52.52 8.06 14.81 24.06 92.65 51.94 -69.89 -31.93 11.69 0.01 88.30 0.63 0.56 9.87 87.99 0.95 0.00 0.00 0.00 115 L H H 60.65 13.37 10.75 24.03 96.77 51.04 -82.11 -15.25 37.79 0.14 62.08 11.95 1.32 22.68 62.81 1.08 0.00 0.04 0.12 116 A C C 79.61 3.37 15.38 19.94 102.52 101.32 -66.83 46.13 99.92 0.01 0.07 99.74 0.07 0.13 0.05 0.00 0.00 0.00 0.00