# 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 51.26 10.78 13.45 24.82 116.61 -140.77 -83.93 141.82 99.88 0.07 0.05 99.79 0.09 0.05 0.03 0.00 0.00 0.03 0.01 1 K C C 124.48 5.62 12.63 19.89 115.75 -139.82 -90.56 139.45 85.86 1.94 12.20 81.75 1.19 3.37 10.52 1.30 0.00 0.81 1.06 2 S C C 56.49 7.47 10.67 19.51 113.24 -122.43 -80.49 148.71 69.41 1.94 28.66 54.95 6.98 7.09 25.04 4.06 0.00 0.89 0.98 3 K H H 141.34 3.67 13.52 18.59 95.82 -126.76 -68.14 -25.79 42.80 0.92 56.28 19.04 10.30 15.17 47.24 7.33 0.05 0.43 0.44 4 N H H 79.69 7.85 13.35 22.36 98.51 57.78 -84.33 -1.60 39.38 0.94 59.69 18.46 9.02 13.89 50.42 7.25 0.06 0.43 0.47 5 H H H 79.18 10.40 13.63 24.77 98.97 77.69 -78.35 -16.47 33.23 1.04 65.72 21.74 6.60 6.85 58.94 4.94 0.02 0.48 0.43 6 T H H 62.52 7.93 15.83 24.73 101.36 81.82 -80.87 -24.02 31.16 1.09 67.75 21.35 5.37 6.03 62.89 3.42 0.01 0.53 0.39 7 T H H 60.68 8.77 16.49 25.96 99.22 63.49 -76.36 -31.94 26.39 0.79 72.82 16.52 5.30 6.07 68.52 2.92 0.02 0.37 0.28 8 H H H 81.42 10.46 15.87 26.76 96.64 58.36 -71.19 -35.72 24.32 0.61 75.07 13.01 5.25 7.43 70.83 2.94 0.02 0.28 0.24 9 N H H 75.89 7.48 17.63 25.74 97.33 53.20 -72.72 -30.96 26.33 0.49 73.18 13.97 5.09 8.37 69.26 2.85 0.02 0.22 0.22 10 Q H H 76.53 8.29 17.46 26.48 95.18 57.30 -69.96 -33.58 21.90 0.38 77.72 11.89 4.13 6.83 74.40 2.42 0.01 0.16 0.16 11 S H H 31.03 11.93 14.38 27.25 96.26 58.04 -69.24 -37.18 17.03 0.31 82.66 10.15 2.82 4.94 79.68 2.15 0.01 0.14 0.12 12 R H H 125.65 4.28 17.57 22.52 93.90 56.09 -65.94 -38.93 9.66 0.20 90.14 3.95 1.69 4.49 87.53 2.13 0.03 0.10 0.07 13 K H H 95.20 4.45 17.02 22.25 92.83 52.31 -66.01 -40.25 7.40 0.20 92.40 2.70 1.37 3.88 89.51 2.32 0.04 0.11 0.07 14 W H H 64.57 11.16 12.92 25.35 92.88 50.36 -66.58 -40.55 6.25 0.22 93.53 2.51 1.07 3.19 90.26 2.74 0.03 0.12 0.07 15 H H H 94.18 7.71 13.88 22.70 93.85 49.13 -68.97 -38.27 8.02 0.29 91.69 2.70 1.21 4.67 87.37 3.72 0.06 0.17 0.10 16 R H H 156.11 2.19 15.50 17.97 95.35 49.03 -72.48 -31.67 14.84 0.20 84.96 2.09 1.93 11.14 81.31 3.24 0.09 0.09 0.11 17 N H H 91.86 4.41 13.94 19.48 99.61 33.36 -99.81 -0.38 40.05 0.18 59.77 2.93 5.28 31.43 58.28 1.83 0.07 0.06 0.13 18 G C T 46.70 4.48 14.14 19.84 97.97 -114.20 77.15 13.37 98.27 0.35 1.38 31.04 22.29 45.13 0.54 0.68 0.00 0.17 0.15 19 I C C 63.54 10.72 10.39 22.26 116.16 138.85 -89.99 135.05 96.55 2.23 1.22 75.51 18.13 2.67 0.49 0.68 0.00 0.89 1.64 20 K C C 139.29 3.08 16.39 20.60 116.16 -135.55 -87.87 139.33 97.88 1.41 0.71 83.17 13.19 1.39 0.30 0.35 0.00 0.55 1.05 21 K C C 95.85 11.84 11.24 23.44 114.90 -110.53 -78.72 136.94 99.47 0.34 0.19 87.37 11.82 0.31 0.09 0.07 0.00 0.12 0.21 22 P C C 49.19 8.81 11.51 22.22 113.58 -108.82 -64.66 148.92 94.49 0.49 5.03 89.06 3.33 2.65 1.74 2.64 0.00 0.19 0.39 23 R H G 176.08 2.14 12.97 16.41 93.06 -118.35 -61.99 -31.55 43.59 0.51 55.89 14.86 9.26 19.14 11.38 44.82 0.00 0.25 0.28 24 S H G 72.24 3.97 11.79 17.16 94.98 62.31 -75.84 -15.77 37.00 0.55 62.46 10.53 7.32 18.94 13.34 49.33 0.01 0.28 0.26 25 Q H G 89.04 8.71 10.98 20.73 98.44 66.34 -83.00 3.57 34.84 0.66 64.50 18.74 6.46 9.71 14.50 49.97 0.00 0.36 0.26 26 R C C 127.01 7.06 13.12 21.41 102.17 94.10 -81.75 5.44 60.37 1.01 38.62 32.71 12.86 14.39 14.23 24.64 0.00 0.42 0.75 27 Y C C 84.05 10.73 10.65 22.28 110.31 61.51 -96.29 110.81 74.59 1.04 24.37 48.27 15.14 10.72 9.36 15.07 0.00 0.38 1.06 28 E H G 137.35 2.56 15.07 18.90 94.31 -164.14 -65.55 -31.82 27.95 0.27 71.79 5.32 4.01 17.40 8.61 64.40 0.00 0.14 0.11 29 S H G 67.96 5.06 15.11 21.50 91.65 63.80 -71.07 -18.03 28.80 0.15 71.05 2.57 2.65 21.66 7.59 65.38 0.00 0.08 0.07 30 L H G 28.49 17.76 9.85 27.18 95.91 53.95 -93.58 -3.98 32.96 0.24 66.81 5.89 4.18 20.80 5.07 63.81 0.00 0.13 0.10 31 K C T 131.74 4.76 13.37 20.71 110.74 118.23 -63.30 131.12 96.18 0.22 3.60 2.63 3.32 90.86 1.18 1.68 0.00 0.08 0.25 32 G C T 63.23 0.98 16.85 16.65 94.56 18.12 83.64 -0.85 98.86 0.07 1.06 1.99 4.73 92.28 0.16 0.77 0.00 0.04 0.03 33 V C C 42.04 15.29 8.66 23.73 119.71 121.67 -80.11 144.71 97.68 2.04 0.28 63.21 33.02 0.42 0.14 0.10 0.00 0.32 2.78 34 D C C 68.98 5.44 15.63 22.43 110.37 -104.94 -70.45 133.50 99.83 0.14 0.03 99.22 0.63 0.02 0.02 0.00 0.00 0.03 0.09 35 P H H 81.29 6.00 14.12 21.71 92.32 -130.56 -59.26 -34.89 3.12 0.00 96.88 0.26 0.20 2.45 96.44 0.65 0.00 0.00 0.00 36 K H H 117.47 4.32 17.65 22.68 92.09 55.28 -64.68 -39.38 1.14 0.00 98.86 0.07 0.06 0.92 98.31 0.63 0.00 0.00 0.00 37 F H H 64.89 10.19 16.04 27.19 92.46 49.07 -66.43 -40.61 0.22 0.00 99.78 0.03 0.01 0.13 99.44 0.39 0.00 0.00 0.00 38 L H H 50.89 9.53 16.49 27.33 92.04 51.50 -63.51 -42.03 0.12 0.00 99.88 0.01 0.00 0.07 99.77 0.14 0.00 0.00 0.00 39 R H H 112.21 4.99 20.42 25.85 91.88 49.89 -63.87 -41.73 0.37 0.00 99.63 0.02 0.01 0.28 99.56 0.13 0.00 0.00 0.00 40 N H H 52.57 9.72 18.83 29.35 92.14 49.50 -65.06 -40.66 1.74 0.00 98.26 0.09 0.06 1.49 98.19 0.17 0.00 0.00 0.00 41 M H H 50.03 12.06 18.09 30.81 92.00 51.51 -64.73 -41.07 1.34 0.00 98.65 0.21 0.09 0.85 98.44 0.41 0.00 0.00 0.00 42 R H H 103.91 5.60 21.06 26.99 92.04 51.36 -64.39 -41.84 1.28 0.00 98.71 0.22 0.10 0.80 98.27 0.61 0.00 0.00 0.00 43 F H H 72.83 6.95 19.32 27.34 92.35 49.62 -64.95 -41.32 1.47 0.01 98.53 0.29 0.13 0.88 97.78 0.91 0.00 0.00 0.00 44 A H H 21.26 12.81 14.80 28.95 92.05 52.74 -63.95 -39.81 2.22 0.01 97.77 0.42 0.20 1.36 96.65 1.36 0.00 0.00 0.00 45 K H H 111.77 5.98 17.99 24.82 92.13 52.09 -66.39 -34.93 6.54 0.03 93.43 0.73 0.52 4.96 91.26 2.48 0.01 0.01 0.01 46 K H H 128.02 3.32 18.25 21.80 92.91 52.69 -70.95 -27.45 15.77 0.06 84.16 1.25 1.34 12.95 82.32 2.05 0.03 0.02 0.04 47 H H H 87.22 9.60 13.66 23.93 100.91 46.33 -95.92 1.86 44.75 0.60 54.65 10.53 9.96 25.13 51.62 2.09 0.07 0.20 0.40 48 N C C 66.74 7.36 13.81 22.31 119.38 89.46 -97.33 143.79 74.45 1.36 24.19 58.11 6.90 7.30 24.37 1.96 0.00 0.46 0.90 49 K H H 142.00 3.43 14.30 19.20 92.71 -114.90 -63.47 -34.03 25.46 0.29 74.25 6.08 5.38 14.67 69.34 4.19 0.06 0.12 0.17 50 K H H 135.44 1.61 17.38 18.19 92.78 53.57 -66.56 -38.43 19.44 0.16 80.41 3.31 2.98 13.04 76.38 4.07 0.06 0.07 0.09 51 G H H 15.03 8.81 14.44 25.43 92.64 51.68 -64.27 -41.37 13.00 0.16 86.83 5.89 2.06 5.29 83.42 3.18 0.01 0.08 0.07 52 L H H 48.90 11.81 14.30 27.03 92.37 51.48 -64.11 -40.92 3.36 0.04 96.61 1.44 0.47 1.44 95.40 1.22 0.00 0.02 0.01 53 K H H 123.52 2.58 19.33 21.88 91.85 50.94 -64.57 -40.94 2.09 0.02 97.89 0.76 0.25 1.03 96.96 0.99 0.00 0.01 0.01 54 K H H 118.05 2.66 19.67 22.09 92.14 49.57 -65.68 -40.29 2.01 0.02 97.96 0.71 0.24 1.00 97.09 0.93 0.00 0.01 0.01 55 M H H 51.74 12.16 16.00 28.93 92.25 50.49 -65.38 -41.21 2.36 0.03 97.61 0.83 0.28 1.17 96.99 0.71 0.01 0.01 0.01 56 Q H H 85.15 7.62 18.60 26.94 92.11 50.78 -64.65 -40.19 3.71 0.03 96.25 1.14 0.43 1.99 95.67 0.74 0.01 0.02 0.01 57 A H H 56.26 2.93 19.86 22.48 92.02 50.61 -65.06 -40.36 6.68 0.04 93.28 1.73 0.83 3.83 92.74 0.83 0.01 0.02 0.02 58 N H H 74.76 5.91 19.33 25.81 93.10 49.26 -67.66 -37.62 13.60 0.07 86.34 3.44 1.61 7.87 86.30 0.72 0.01 0.02 0.04 59 N H H 56.69 11.99 17.36 29.60 93.34 51.70 -66.14 -39.33 9.92 0.04 90.05 3.57 1.22 4.44 90.20 0.53 0.00 0.01 0.02 60 A H H 51.74 6.21 19.44 26.41 92.36 53.10 -64.40 -41.10 2.14 0.01 97.85 0.74 0.27 0.91 97.76 0.31 0.00 0.00 0.00 61 K H H 126.49 2.39 22.21 24.00 91.93 49.53 -65.52 -40.69 1.07 0.01 98.92 0.32 0.11 0.52 98.80 0.25 0.00 0.00 0.00 62 A H H 30.93 10.06 18.56 29.74 92.10 50.53 -64.64 -41.54 0.67 0.00 99.32 0.19 0.06 0.32 99.23 0.18 0.00 0.00 0.00 63 M H H 57.54 12.94 19.17 32.21 92.25 50.18 -64.11 -41.52 0.52 0.00 99.48 0.13 0.04 0.26 99.45 0.12 0.00 0.00 0.00 64 A H H 53.57 4.79 22.17 27.19 91.67 50.64 -64.16 -41.47 0.53 0.00 99.47 0.11 0.04 0.28 99.49 0.09 0.00 0.00 0.00 65 A H H 46.29 5.17 22.24 27.73 91.49 50.11 -64.43 -41.40 0.57 0.00 99.43 0.10 0.04 0.32 99.45 0.09 0.00 0.00 0.00 66 R H H 74.30 13.49 20.57 33.70 92.21 50.38 -64.61 -40.97 0.63 0.00 99.37 0.11 0.04 0.36 99.39 0.09 0.00 0.00 0.00 67 A H H 28.79 11.77 19.41 32.02 91.79 51.58 -63.55 -41.74 0.43 0.00 99.57 0.08 0.03 0.23 99.58 0.08 0.00 0.00 0.00 68 E H H 107.68 2.90 23.90 26.10 91.74 50.58 -64.72 -41.11 0.38 0.00 99.62 0.06 0.02 0.22 99.60 0.10 0.00 0.00 0.00 69 A H H 35.47 8.95 19.67 29.52 91.92 50.69 -64.58 -41.29 0.62 0.00 99.37 0.09 0.04 0.38 99.32 0.16 0.00 0.00 0.00 70 I H H 36.27 15.27 17.22 32.61 92.26 50.09 -65.17 -40.82 1.06 0.01 98.93 0.17 0.07 0.66 98.72 0.37 0.00 0.00 0.00 71 K H H 112.16 6.23 19.31 26.41 91.66 52.47 -64.01 -37.89 3.34 0.01 96.65 0.44 0.25 2.35 95.85 1.10 0.00 0.01 0.00 72 A H H 59.67 4.17 18.14 22.76 92.31 53.05 -67.76 -32.10 17.80 0.07 82.13 1.90 1.22 13.98 80.91 1.91 0.02 0.03 0.03 73 L H H 68.39 10.32 15.27 26.20 95.10 52.35 -77.42 -25.27 40.62 0.41 58.97 12.30 4.79 22.90 57.21 2.39 0.02 0.16 0.23 74 V C C 60.01 11.60 12.81 24.81 104.12 61.65 -89.07 22.61 71.86 0.78 27.36 48.94 10.46 10.10 27.95 1.82 0.00 0.29 0.45 75 V C C 98.33 3.94 14.70 19.65 103.36 95.80 -83.32 -2.79 82.91 0.76 16.33 65.17 6.79 9.33 15.88 2.07 0.00 0.34 0.42 76 S C C 59.25 5.94 13.13 20.24 109.41 73.13 -95.55 112.49 79.10 0.90 19.99 57.98 10.00 10.17 16.91 4.02 0.00 0.40 0.53 77 R C H 140.19 6.13 13.41 20.86 96.34 -141.52 -68.91 -18.44 53.62 0.95 45.44 29.79 11.84 12.52 36.59 8.35 0.02 0.41 0.48 78 K H H 117.11 4.70 16.38 21.89 94.15 70.40 -67.24 -35.50 40.19 1.00 58.82 21.66 7.36 11.77 47.69 10.58 0.03 0.51 0.41 79 L H H 55.83 12.18 14.97 27.50 93.64 54.03 -68.03 -35.60 30.38 0.97 68.64 19.20 4.39 7.40 55.90 12.21 0.01 0.56 0.33 80 H H H 76.67 11.99 16.75 28.82 92.70 57.40 -65.95 -36.10 21.84 0.66 77.49 13.37 3.14 5.77 65.17 11.94 0.01 0.40 0.19 81 R H H 109.03 7.91 19.84 28.22 92.85 54.91 -66.38 -37.21 17.58 0.67 81.75 8.47 2.68 6.81 69.74 11.64 0.03 0.46 0.19 82 L H H 59.92 9.95 19.98 30.06 93.02 52.36 -66.55 -39.41 9.35 0.41 90.23 4.26 1.35 3.96 78.65 11.36 0.02 0.32 0.09 83 A H H 21.02 15.04 17.60 33.08 92.50 53.87 -64.92 -39.43 5.63 0.28 94.09 1.97 0.75 2.90 81.20 12.89 0.01 0.23 0.04 84 Y H H 74.60 12.42 18.83 31.43 92.63 52.33 -67.88 -33.93 7.61 0.40 91.99 1.85 0.96 4.72 78.59 13.44 0.04 0.34 0.07 85 I H H 75.53 8.78 19.63 28.79 93.85 51.45 -74.01 -28.27 15.58 0.70 83.72 3.24 2.30 10.42 73.13 10.04 0.17 0.47 0.23 86 A H H 44.96 10.63 17.25 28.31 94.25 55.85 -79.58 -17.65 40.02 1.42 58.56 7.90 9.89 24.50 50.26 5.61 0.38 0.60 0.86 87 H C C 57.32 13.05 12.56 26.41 112.71 87.08 -94.18 118.14 95.51 1.06 3.43 47.02 45.93 2.27 3.12 0.56 0.00 0.28 0.81 88 P C T 93.19 3.65 15.74 20.64 92.73 -142.71 -61.51 -31.60 53.03 0.24 46.74 4.70 6.37 40.28 38.59 9.69 0.05 0.11 0.21 89 K H H 125.25 3.49 17.74 21.77 93.54 54.53 -70.33 -28.28 45.57 0.24 54.19 3.43 4.71 35.77 46.76 8.95 0.09 0.11 0.18 90 L H H 31.30 15.89 13.82 29.65 94.37 54.00 -72.58 -34.33 27.80 0.47 71.72 7.23 5.01 16.26 61.72 9.22 0.09 0.23 0.24 91 G H H 21.44 12.45 15.81 28.86 92.61 59.82 -59.81 -43.63 18.62 0.37 81.01 8.89 2.70 7.65 74.20 6.22 0.01 0.20 0.13 92 R H H 145.07 2.67 21.32 23.61 92.75 49.88 -66.61 -39.79 11.98 0.35 87.67 3.95 1.87 6.56 80.73 6.52 0.04 0.22 0.11 93 R H H 107.50 6.74 20.99 28.10 92.65 49.45 -66.49 -39.63 10.01 0.38 89.60 3.82 1.49 5.05 83.52 5.74 0.03 0.25 0.10 94 A H H 12.40 17.21 15.89 33.53 92.22 51.82 -64.03 -42.05 7.84 0.31 91.85 4.14 1.18 2.95 88.18 3.27 0.01 0.19 0.08 95 R H H 110.66 7.83 20.94 29.28 92.08 51.63 -64.22 -40.49 7.31 0.23 92.46 3.34 0.98 3.25 89.56 2.66 0.01 0.14 0.06 96 A H H 48.69 4.26 20.01 24.66 92.10 52.24 -64.02 -41.42 5.42 0.15 94.43 2.33 0.82 2.42 91.90 2.39 0.01 0.09 0.04 97 R H H 90.42 8.03 18.91 27.79 92.32 49.30 -65.80 -41.45 5.53 0.20 94.27 2.14 0.80 2.76 91.29 2.81 0.01 0.13 0.04 98 I H H 48.34 12.14 15.52 28.44 92.61 48.71 -65.84 -40.71 6.38 0.23 93.39 2.17 0.87 3.43 90.44 2.86 0.02 0.16 0.05 99 A H H 54.69 4.90 15.26 21.45 92.32 51.56 -65.75 -36.90 12.62 0.23 87.16 3.00 1.70 7.99 83.25 3.82 0.04 0.12 0.08 100 R H H 155.30 2.10 14.91 17.39 93.93 52.77 -71.42 -28.03 36.54 0.24 63.22 2.81 3.26 30.00 57.64 5.92 0.11 0.11 0.15 101 G C T 40.70 6.37 12.08 19.71 98.48 49.11 -70.11 -16.68 58.47 0.31 41.22 7.42 5.09 44.90 37.62 4.61 0.02 0.13 0.21 102 L C C 97.29 6.78 9.78 17.91 102.50 72.77 -81.49 3.48 78.26 0.79 20.95 58.05 2.29 18.28 17.47 3.00 0.00 0.34 0.57 103 R C C 162.81 3.09 13.11 17.70 104.85 130.49 -81.36 70.24 99.92 0.04 0.04 99.79 0.08 0.08 0.02 0.00 0.00 0.02 0.01