# 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 P C C 81.55 6.10 13.58 21.13 113.86 -118.33 -71.45 144.07 99.98 0.01 0.01 99.93 0.04 0.02 0.00 0.00 0.00 0.00 0.00 1 R C C 161.83 3.64 11.35 16.99 113.53 -133.28 -91.28 131.64 92.79 4.99 2.23 90.39 1.48 1.46 1.25 0.58 0.00 2.32 2.52 2 V C C 81.54 8.14 8.95 18.35 115.76 -147.47 -96.42 131.27 89.74 6.10 4.16 79.41 7.22 3.10 2.59 1.48 0.00 3.90 2.29 3 K C C 150.76 2.30 13.44 17.03 112.55 -144.89 -86.52 130.89 87.13 4.88 8.00 61.93 13.17 11.85 5.78 2.48 0.00 3.27 1.51 4 G C C 44.35 6.19 12.11 19.35 109.97 27.34 88.93 -3.92 85.52 1.76 12.72 45.61 22.28 17.46 9.99 3.01 0.00 0.81 0.85 5 G C C 34.37 6.40 12.42 20.16 118.12 132.03 77.09 -169.16 64.78 0.89 34.33 35.09 20.44 8.69 32.48 2.53 0.01 0.31 0.45 6 T H H 95.74 2.34 14.85 17.39 94.79 -54.89 -66.65 -34.65 21.59 0.48 77.93 10.23 6.00 6.96 74.11 2.28 0.03 0.20 0.19 7 V H H 74.10 4.72 15.62 21.26 93.50 51.00 -67.02 -39.99 13.04 0.40 86.56 6.64 2.71 4.69 83.54 2.06 0.02 0.21 0.12 8 T H H 35.64 11.13 13.24 25.59 93.17 50.69 -66.17 -40.98 9.10 0.26 90.64 5.57 1.50 2.82 88.24 1.65 0.01 0.14 0.07 9 R H H 117.48 5.41 16.74 23.20 92.37 51.61 -64.48 -40.98 4.27 0.06 95.67 2.15 0.65 1.55 94.78 0.82 0.00 0.03 0.02 10 K H H 117.86 2.10 19.28 20.52 92.10 50.18 -65.23 -41.10 2.45 0.02 97.53 1.01 0.31 1.03 97.16 0.47 0.00 0.01 0.01 11 R H H 93.09 8.33 17.51 26.62 92.21 49.24 -65.59 -41.08 1.77 0.01 98.21 0.64 0.19 0.81 98.00 0.35 0.00 0.01 0.00 12 R H H 73.76 14.26 15.78 29.88 91.82 51.59 -63.37 -41.37 1.17 0.01 98.83 0.36 0.12 0.55 98.76 0.22 0.00 0.00 0.00 13 K H H 113.48 3.38 20.63 24.01 91.89 50.61 -64.39 -40.60 1.00 0.00 99.00 0.27 0.09 0.48 98.97 0.17 0.00 0.00 0.00 14 K H H 105.87 3.28 21.05 23.85 91.80 50.03 -64.76 -41.22 1.24 0.01 98.76 0.30 0.11 0.66 98.73 0.20 0.00 0.00 0.00 15 V H H 23.56 15.10 16.30 32.12 92.09 49.47 -64.61 -42.51 0.93 0.00 99.06 0.20 0.09 0.55 98.88 0.28 0.00 0.00 0.00 16 L H H 51.95 12.27 17.13 29.97 91.84 50.85 -63.51 -40.30 1.01 0.00 98.99 0.17 0.09 0.65 98.28 0.81 0.00 0.00 0.00 17 K H H 132.10 1.80 21.89 22.40 91.97 51.10 -64.64 -39.74 3.29 0.01 96.70 0.27 0.19 2.66 94.96 1.90 0.01 0.00 0.00 18 L H H 77.26 6.71 18.17 25.68 92.27 49.87 -68.15 -34.31 8.57 0.01 91.42 0.35 0.48 7.56 89.32 2.26 0.01 0.00 0.01 19 A H H 15.23 18.61 11.45 29.83 94.07 54.03 -79.29 -14.74 30.76 0.10 69.13 3.80 3.27 23.44 62.52 6.81 0.04 0.04 0.09 20 K C T 136.25 4.69 16.11 22.87 100.07 104.39 -63.43 -2.93 56.39 0.16 43.45 2.79 2.95 50.01 17.95 26.06 0.01 0.07 0.16 21 G C T 59.42 1.47 17.06 18.07 96.93 40.02 -70.77 -3.72 63.95 0.18 35.88 3.89 4.41 54.79 9.38 27.28 0.00 0.09 0.15 22 Y C C 99.12 11.49 11.05 22.95 107.90 90.02 -91.64 70.53 72.96 1.61 25.43 46.59 11.10 14.29 5.15 21.20 0.00 0.81 0.86 23 F C C 126.95 5.95 12.61 20.21 118.85 127.25 -103.75 138.10 88.54 5.39 6.07 63.98 11.76 12.57 2.74 3.09 0.00 2.41 3.46 24 G C C 43.53 4.37 13.46 19.40 127.31 78.08 115.53 -168.85 92.88 3.41 3.71 44.94 31.45 16.85 1.07 2.52 0.00 1.81 1.36 25 S C C 68.70 3.25 13.51 17.68 117.31 -64.34 -90.03 150.35 94.02 2.79 3.19 70.13 18.37 5.42 1.40 1.72 0.00 1.25 1.71 26 K C H 141.56 4.18 10.99 17.12 95.21 -121.34 -65.53 -29.40 53.95 0.81 45.24 14.16 17.54 23.10 28.62 15.58 0.06 0.33 0.59 27 H H H 149.38 1.36 13.47 14.75 95.36 58.53 -73.37 -28.81 49.72 0.33 49.95 5.86 9.54 33.55 33.65 16.91 0.07 0.15 0.27 28 T H H 71.32 4.20 13.62 19.02 100.97 44.62 -90.16 -9.18 45.22 0.85 53.93 13.34 7.08 24.70 37.56 16.33 0.07 0.42 0.49 29 L H H 53.82 10.71 12.05 23.97 94.24 80.04 -65.28 -39.28 17.09 0.44 82.46 11.23 3.42 3.70 79.24 2.05 0.01 0.18 0.17 30 Y H H 110.74 7.67 15.85 24.43 92.83 53.08 -65.19 -41.40 4.08 0.06 95.85 1.69 0.64 1.67 95.18 0.77 0.00 0.03 0.01 31 K H H 125.34 1.98 20.04 21.02 92.51 49.30 -65.69 -41.16 2.28 0.03 97.69 0.84 0.28 1.06 97.17 0.62 0.00 0.02 0.00 32 V H H 55.86 5.99 18.80 25.91 92.45 48.68 -65.35 -41.64 1.34 0.01 98.65 0.43 0.15 0.65 98.42 0.34 0.00 0.00 0.00 33 A H H 14.13 14.68 14.94 30.95 91.56 51.17 -63.38 -42.30 0.77 0.00 99.23 0.22 0.07 0.36 99.22 0.14 0.00 0.00 0.00 34 N H H 72.89 6.64 20.04 27.22 91.70 50.54 -64.14 -41.24 0.49 0.00 99.51 0.10 0.03 0.25 99.54 0.07 0.00 0.00 0.00 35 Q H H 98.08 2.54 21.91 23.40 92.00 49.64 -64.81 -41.27 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 36 Q H H 68.29 8.49 18.97 28.29 92.24 49.56 -65.54 -40.92 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.05 0.00 0.00 0.00 37 V H H 41.89 12.64 16.73 29.95 92.17 49.89 -64.26 -42.02 0.34 0.00 99.66 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 38 M H H 99.15 3.74 20.45 24.06 91.90 49.47 -64.15 -41.51 0.73 0.00 99.27 0.09 0.04 0.45 99.31 0.10 0.00 0.00 0.00 39 K H H 115.84 2.61 20.62 22.69 92.16 48.88 -65.31 -41.21 1.48 0.00 98.52 0.18 0.10 0.96 98.59 0.16 0.00 0.00 0.00 40 S H H 34.72 9.19 16.82 27.23 92.23 50.57 -64.70 -40.76 1.56 0.00 98.44 0.22 0.12 0.95 98.48 0.23 0.00 0.00 0.00 41 G H H 28.53 7.79 17.69 26.29 92.56 50.76 -64.30 -40.83 1.87 0.00 98.13 0.27 0.13 1.19 98.08 0.33 0.00 0.00 0.00 42 N H H 87.37 2.80 19.89 22.16 92.29 50.41 -65.32 -41.16 1.73 0.00 98.26 0.29 0.14 1.06 98.15 0.36 0.00 0.00 0.00 43 Y H H 110.56 3.90 19.15 23.27 92.36 49.30 -65.14 -41.40 1.47 0.00 98.53 0.27 0.14 0.87 98.30 0.41 0.00 0.00 0.00 44 A H H 33.65 8.68 15.62 25.59 92.17 51.40 -64.00 -41.42 1.89 0.00 98.10 0.35 0.16 1.14 97.89 0.46 0.00 0.00 0.00 45 F H H 104.79 4.36 18.05 22.71 92.21 49.76 -65.16 -41.24 2.83 0.01 97.16 0.52 0.27 1.81 96.71 0.68 0.00 0.00 0.00 46 R H H 131.19 2.12 18.88 20.25 92.20 49.74 -65.07 -41.04 4.87 0.01 95.12 0.76 0.47 3.30 94.81 0.65 0.00 0.00 0.01 47 D H H 61.53 5.14 16.45 22.63 92.73 49.44 -66.56 -39.17 10.77 0.02 89.22 2.30 0.94 6.71 89.36 0.68 0.00 0.00 0.01 48 R H H 103.70 7.24 15.87 23.77 92.20 51.96 -64.51 -40.77 3.47 0.01 96.52 1.01 0.43 1.71 96.33 0.50 0.00 0.00 0.00 49 R H H 132.25 2.63 17.72 20.38 92.24 50.31 -65.08 -41.04 2.44 0.01 97.55 0.62 0.25 1.31 97.36 0.46 0.00 0.00 0.00 50 Q H H 95.18 2.53 17.89 20.17 92.08 49.52 -65.25 -40.84 2.13 0.00 97.87 0.58 0.22 1.10 97.68 0.41 0.00 0.00 0.00 51 K H H 95.75 5.69 16.65 23.09 92.13 50.24 -64.69 -41.05 1.52 0.00 98.48 0.41 0.15 0.74 98.46 0.24 0.00 0.00 0.00 52 K H H 95.35 6.54 16.79 24.17 91.94 50.50 -64.59 -40.84 1.15 0.00 98.85 0.25 0.10 0.62 98.85 0.19 0.00 0.00 0.00 53 R H H 123.93 2.88 18.54 21.37 92.13 50.29 -64.77 -41.36 0.85 0.00 99.15 0.16 0.07 0.47 99.16 0.15 0.00 0.00 0.00 54 D H H 73.40 3.40 19.00 22.37 91.89 49.47 -65.04 -41.33 0.88 0.00 99.12 0.16 0.06 0.49 99.16 0.13 0.00 0.00 0.00 55 F H H 72.89 9.11 17.25 27.33 92.25 49.95 -64.56 -41.52 0.49 0.00 99.51 0.08 0.03 0.28 99.53 0.08 0.00 0.00 0.00 56 R H H 96.75 10.38 17.89 28.62 91.79 51.53 -63.62 -41.29 0.30 0.00 99.70 0.04 0.02 0.18 99.71 0.06 0.00 0.00 0.00 57 K H H 117.43 3.14 20.89 23.86 91.89 50.03 -64.71 -41.15 0.29 0.00 99.71 0.03 0.01 0.20 99.71 0.06 0.00 0.00 0.00 58 L H H 73.68 5.30 21.03 26.66 92.02 49.56 -64.83 -41.66 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 59 W H H 42.90 16.27 18.29 34.60 92.01 50.18 -64.18 -42.27 0.25 0.00 99.75 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 60 I H H 50.25 12.76 20.07 33.07 91.74 49.96 -63.69 -42.00 0.23 0.00 99.77 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 61 T H H 73.21 3.14 24.47 26.72 91.90 50.08 -64.65 -41.72 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 62 R H H 85.18 10.44 23.07 33.43 91.99 49.27 -65.30 -41.68 0.31 0.00 99.69 0.03 0.01 0.24 99.67 0.05 0.00 0.00 0.00 63 I H H 8.67 23.06 18.76 41.67 91.73 49.07 -64.62 -43.00 0.27 0.00 99.73 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 64 N H H 64.50 9.63 23.52 33.27 91.44 50.85 -63.04 -41.82 0.27 0.00 99.73 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 65 A H H 45.03 3.60 24.74 28.08 91.25 50.33 -63.49 -42.03 0.16 0.00 99.84 0.01 0.01 0.09 99.85 0.04 0.00 0.00 0.00 66 A H H 11.99 13.79 19.23 34.48 91.72 50.55 -64.13 -42.35 0.15 0.00 99.85 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 67 A H H 8.97 17.34 14.84 33.16 91.52 51.52 -63.35 -42.04 0.29 0.00 99.71 0.03 0.01 0.18 99.67 0.11 0.00 0.00 0.00 68 R H H 162.44 2.00 19.67 21.66 91.86 50.40 -63.66 -40.82 0.74 0.00 99.26 0.05 0.03 0.57 98.98 0.37 0.00 0.00 0.00 69 M H H 121.36 3.40 17.24 21.46 91.58 51.20 -66.53 -31.86 4.87 0.00 95.13 0.10 0.14 4.70 94.55 0.50 0.00 0.00 0.00 70 N C T 65.75 10.40 13.30 24.75 95.29 42.72 -94.90 2.76 62.24 0.01 37.75 0.31 0.94 60.90 37.13 0.71 0.00 0.00 0.01 71 G C T 62.86 0.92 19.35 18.52 94.48 -113.23 73.95 20.57 99.92 0.00 0.08 1.20 1.11 97.64 0.03 0.01 0.00 0.00 0.00 72 L C C 34.29 16.41 9.76 26.10 123.42 135.58 -106.09 145.75 99.71 0.25 0.04 96.44 3.19 0.07 0.02 0.01 0.00 0.06 0.21 73 S C C 58.79 2.79 23.04 24.46 119.52 -122.50 -80.66 155.79 99.77 0.17 0.07 99.55 0.25 0.03 0.03 0.00 0.00 0.04 0.10 74 Y H H 72.45 18.32 12.97 30.50 91.91 -116.64 -59.14 -38.45 1.79 0.00 98.20 0.37 0.24 0.91 98.11 0.37 0.00 0.00 0.00 75 S H H 72.00 2.91 20.79 23.80 91.38 55.75 -63.26 -39.80 0.66 0.00 99.34 0.07 0.04 0.42 98.99 0.47 0.00 0.00 0.00 76 R H H 114.85 5.68 21.66 27.71 91.94 49.63 -65.73 -40.44 0.19 0.00 99.81 0.02 0.01 0.11 99.47 0.39 0.00 0.00 0.00 77 L H H 6.20 23.82 15.68 39.54 91.78 50.13 -64.23 -43.30 0.19 0.00 99.81 0.02 0.01 0.11 99.73 0.14 0.00 0.00 0.00 78 M H H 52.47 14.23 20.71 34.61 91.80 50.01 -63.73 -42.33 0.24 0.00 99.76 0.02 0.01 0.16 99.77 0.05 0.00 0.00 0.00 79 H H H 101.21 2.74 24.82 26.36 91.73 50.81 -63.90 -41.91 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 80 G H H 9.34 13.51 19.09 33.92 91.82 51.15 -63.44 -42.66 0.35 0.00 99.65 0.03 0.02 0.24 99.62 0.09 0.00 0.00 0.00 81 L H H 9.69 21.43 15.10 36.63 92.04 50.31 -64.11 -41.91 0.40 0.00 99.60 0.03 0.02 0.27 99.43 0.23 0.00 0.00 0.00 82 K H H 128.90 4.18 19.54 24.92 91.55 50.50 -63.08 -40.34 0.71 0.00 99.29 0.04 0.03 0.55 98.89 0.49 0.00 0.00 0.00 83 L H H 107.74 3.87 18.27 22.86 90.97 54.02 -65.68 -29.90 5.86 0.00 94.14 0.11 0.15 5.79 93.32 0.62 0.00 0.00 0.00 84 S C T 33.81 13.86 13.85 28.31 93.39 51.01 -87.91 -0.15 73.87 0.01 26.11 0.23 0.77 73.05 25.29 0.64 0.00 0.00 0.01 85 G C T 55.89 1.95 21.17 22.45 94.84 -113.05 77.90 17.47 99.84 0.00 0.15 0.99 0.71 98.22 0.06 0.02 0.00 0.00 0.00 86 I C C 26.82 19.75 10.53 29.80 113.94 141.57 -96.87 123.49 97.85 1.96 0.19 96.35 1.56 0.24 0.07 0.06 0.00 1.21 0.49 87 E C C 135.48 2.62 22.92 25.42 110.18 -147.41 -94.11 114.68 95.97 3.82 0.21 93.08 2.84 0.47 0.09 0.08 0.00 2.66 0.78 88 V C C 20.43 22.09 10.76 31.92 126.79 166.53 -121.49 141.88 94.73 5.11 0.16 88.33 7.08 0.17 0.11 0.05 0.00 2.47 1.79 89 N C C 79.58 4.08 23.18 26.48 120.09 -126.62 -85.15 159.54 99.08 0.72 0.20 98.53 0.71 0.09 0.14 0.02 0.00 0.29 0.22 90 R H H 106.28 14.78 14.58 28.88 91.78 -110.03 -59.54 -37.54 1.38 0.00 98.62 0.19 0.18 0.78 98.59 0.26 0.00 0.00 0.00 91 K H H 127.25 3.83 20.62 25.20 91.68 53.84 -63.93 -40.70 0.69 0.00 99.31 0.05 0.05 0.49 99.07 0.33 0.00 0.00 0.00 92 M H H 59.84 9.90 20.88 31.30 92.12 48.74 -65.64 -41.53 0.38 0.00 99.61 0.04 0.02 0.25 99.30 0.39 0.00 0.00 0.00 93 L H H 7.70 22.91 17.79 40.57 91.40 50.38 -63.42 -42.93 0.17 0.00 99.83 0.02 0.01 0.10 99.80 0.07 0.00 0.00 0.00 94 A H H 17.81 15.39 20.56 36.33 91.52 51.30 -63.25 -41.74 0.32 0.00 99.68 0.03 0.01 0.19 99.69 0.07 0.00 0.00 0.00 95 D H H 70.35 4.85 25.63 30.61 91.62 50.29 -64.44 -41.11 0.74 0.00 99.26 0.04 0.03 0.54 99.28 0.11 0.00 0.00 0.00 96 L H H 19.71 15.40 20.66 36.68 91.80 50.45 -64.35 -41.79 0.69 0.00 99.31 0.05 0.04 0.48 99.17 0.26 0.00 0.00 0.00 97 A H H 9.20 20.90 17.13 37.92 91.89 51.79 -65.65 -36.20 1.62 0.00 98.38 0.15 0.10 1.22 97.92 0.61 0.00 0.00 0.00 98 V H H 71.34 9.90 20.35 30.26 94.61 48.96 -75.33 -32.76 7.02 0.00 92.97 0.13 0.25 6.75 92.25 0.62 0.00 0.00 0.00 99 N H H 100.02 3.82 19.99 24.20 100.73 32.01 -97.29 -22.98 16.08 0.03 83.89 0.40 1.67 13.65 83.80 0.43 0.02 0.01 0.02 100 D C C 60.14 9.05 16.86 26.84 116.11 16.08 -138.49 92.98 99.06 0.14 0.80 94.51 3.96 0.57 0.72 0.08 0.00 0.04 0.11 101 L H H 68.95 14.70 14.44 29.14 93.86 -167.22 -63.30 -35.69 2.04 0.00 97.96 0.24 0.16 1.39 97.30 0.91 0.00 0.00 0.00 102 T H H 89.28 2.41 23.46 25.32 91.66 55.45 -63.89 -40.10 0.98 0.00 99.02 0.06 0.05 0.79 98.20 0.91 0.00 0.00 0.00 103 A H H 16.09 11.90 19.37 32.88 91.38 51.27 -64.14 -41.66 0.28 0.00 99.72 0.02 0.01 0.18 99.07 0.70 0.00 0.00 0.00 104 F H H 7.63 24.31 16.59 40.87 91.58 50.70 -63.64 -42.88 0.15 0.00 99.85 0.02 0.01 0.09 99.76 0.13 0.00 0.00 0.00 105 N H H 64.75 8.99 23.61 32.76 91.45 51.10 -63.54 -41.75 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.04 0.00 0.00 0.00 106 Q H H 97.51 3.19 26.36 28.89 91.66 50.48 -64.40 -42.06 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 107 L H H 12.94 19.29 21.11 40.30 91.58 49.18 -64.65 -43.00 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 108 A H H 9.83 20.04 19.57 39.58 91.31 50.91 -62.64 -42.99 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 109 D H H 86.27 2.86 25.99 28.13 91.42 49.92 -63.93 -41.48 0.24 0.00 99.76 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 110 A H H 40.07 6.22 23.04 29.85 91.64 49.60 -64.42 -41.69 0.27 0.00 99.73 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 111 A H H 5.53 20.61 15.15 36.38 91.58 50.70 -64.16 -42.10 0.45 0.00 99.55 0.05 0.02 0.27 99.54 0.11 0.00 0.00 0.00 112 K H H 91.02 10.24 18.49 29.04 91.60 52.17 -62.71 -41.06 1.10 0.00 98.90 0.12 0.06 0.76 98.65 0.41 0.00 0.00 0.00 113 A H H 73.43 1.53 19.79 19.67 92.15 50.59 -65.41 -38.67 4.01 0.00 95.99 0.24 0.19 3.26 95.35 0.95 0.00 0.00 0.00 114 Q H H 91.78 7.10 15.39 23.55 92.77 50.69 -69.52 -31.54 13.84 0.01 86.15 0.85 0.71 11.56 85.78 1.08 0.00 0.00 0.01 115 L H H 51.64 14.74 10.12 24.43 96.42 53.34 -81.51 -14.34 41.09 0.18 58.73 15.15 1.69 22.80 58.97 1.19 0.00 0.05 0.15 116 N C C 123.58 2.30 16.74 19.70 100.23 68.80 -41.25 40.60 99.95 0.01 0.04 99.73 0.07 0.18 0.02 0.00 0.00 0.00 0.00