# 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 122.50 4.31 10.40 16.31 113.53 -167.32 -94.43 131.22 99.94 0.05 0.01 99.82 0.12 0.03 0.00 0.00 0.00 0.02 0.01 1 K C C 133.33 3.39 9.61 14.87 117.16 -140.62 -96.41 136.78 98.92 0.31 0.77 97.32 1.12 0.54 0.61 0.08 0.00 0.09 0.23 2 P C C 74.00 4.21 9.16 15.37 114.66 -108.03 -67.83 149.68 87.84 0.25 11.90 74.30 7.12 6.22 9.28 2.80 0.00 0.09 0.19 3 P C H 92.42 3.65 9.88 15.27 97.37 -111.99 -61.87 -33.56 50.96 0.44 48.60 28.63 6.78 15.78 32.78 15.54 0.00 0.20 0.28 4 Q H H 123.76 2.67 10.67 14.58 95.10 56.13 -69.29 -29.26 37.65 0.72 61.63 17.19 7.07 13.49 43.38 18.14 0.03 0.34 0.37 5 Q H H 104.23 3.44 11.25 16.11 96.17 55.41 -72.31 -32.42 33.77 0.86 65.37 18.86 6.94 8.64 48.21 16.54 0.02 0.40 0.37 6 Q H H 93.16 4.78 12.11 18.39 96.20 56.12 -72.13 -29.31 37.93 0.90 61.18 25.70 5.99 7.39 49.64 10.46 0.01 0.43 0.39 7 H H H 90.57 8.92 10.90 20.81 94.21 62.08 -68.01 -32.35 34.10 1.14 64.76 18.55 5.32 10.41 46.64 17.96 0.03 0.60 0.49 8 E H H 125.23 3.50 13.89 18.58 94.42 56.51 -75.19 -20.39 42.74 0.94 56.33 15.22 6.56 20.83 38.11 18.25 0.05 0.47 0.52 9 A C T 69.28 3.79 14.48 19.13 96.47 56.61 -80.97 -18.62 56.21 1.16 42.62 16.15 11.41 28.91 25.08 17.07 0.08 0.52 0.78 10 F C C 68.21 11.26 9.71 21.95 111.36 76.21 -100.93 108.70 96.89 0.79 2.33 60.29 35.43 1.11 1.77 0.49 0.00 0.19 0.72 11 P C G 83.53 4.37 15.20 20.99 94.45 -153.97 -64.04 -27.88 51.89 0.67 47.44 13.29 6.95 31.13 14.94 32.97 0.01 0.33 0.39 12 L C T 83.58 8.00 14.73 23.62 93.25 61.91 -70.06 -29.21 50.03 0.99 48.98 6.61 6.93 35.62 16.30 33.39 0.05 0.53 0.58 13 F H G 66.85 13.61 13.59 27.34 96.28 49.30 -86.48 -8.89 42.33 2.08 55.58 15.67 7.83 19.74 17.88 36.71 0.05 1.16 0.97 14 K H H 108.01 7.62 16.27 24.92 94.14 81.40 -63.43 -36.61 33.30 1.38 65.32 9.96 6.36 16.34 33.01 32.71 0.21 0.69 0.73 15 G H G 38.37 6.85 16.65 24.36 93.74 53.27 -69.54 -26.75 31.98 0.43 67.59 4.32 3.93 22.04 29.10 40.05 0.07 0.22 0.27 16 A H G 45.22 12.33 15.14 27.61 95.92 53.74 -85.06 -12.56 34.53 0.62 64.85 6.19 4.75 21.86 28.61 37.84 0.08 0.30 0.36 17 T C T 58.18 12.16 15.56 27.80 102.34 60.44 -95.59 -0.59 51.27 3.05 45.68 17.19 12.07 22.66 22.56 22.11 0.28 1.38 1.73 18 R C S 117.76 7.47 16.32 24.93 118.92 103.19 -93.42 143.56 84.06 3.24 12.70 39.41 39.90 5.02 10.18 2.33 0.02 1.16 2.00 19 L C C 92.54 7.28 17.01 25.14 115.75 -105.17 -73.15 147.26 70.92 1.99 27.10 51.73 12.51 6.78 21.71 5.47 0.00 1.08 0.73 20 P C C 63.04 12.07 13.61 26.02 112.04 -107.40 -71.32 139.55 69.34 4.22 26.45 54.31 7.80 7.50 18.81 7.55 0.01 2.83 1.20 21 T C C 55.68 11.17 13.06 24.97 120.88 -154.16 -106.81 141.19 42.03 27.70 30.27 28.76 6.87 6.40 19.87 10.91 0.15 20.93 6.10 22 I E E 101.59 7.13 13.95 22.18 115.28 -127.46 -99.63 123.48 26.97 49.27 23.75 10.40 7.92 10.95 14.32 8.09 1.93 28.55 17.84 23 W C T 178.40 4.96 15.43 21.21 93.93 -6.27 58.89 31.82 75.05 4.85 20.10 4.86 8.64 60.87 9.48 10.40 0.40 3.16 2.18 24 G C T 45.41 5.52 16.43 22.94 98.45 -69.81 86.06 1.81 94.74 1.35 3.91 5.55 12.73 76.82 1.24 2.30 0.00 0.96 0.40 25 V E C 38.99 14.88 12.17 27.62 118.30 119.80 -97.81 133.79 48.65 50.25 1.10 26.83 21.64 2.36 0.77 0.47 0.03 26.11 21.79 26 P C C 45.20 8.34 17.14 27.33 109.65 -107.65 -64.59 137.23 71.18 27.21 1.62 64.15 4.90 1.49 1.25 0.56 0.00 20.19 7.46 27 M H H 91.51 10.02 14.96 25.89 93.52 -136.37 -63.40 -35.07 15.99 0.30 83.71 8.10 4.38 3.57 83.11 0.61 0.01 0.09 0.12 28 I H H 98.98 3.07 19.49 22.60 91.92 58.62 -63.15 -40.79 1.97 0.01 98.03 0.47 0.23 1.01 98.03 0.25 0.00 0.00 0.00 29 P H H 35.54 10.67 16.68 28.76 91.83 50.15 -65.12 -40.61 0.74 0.00 99.26 0.19 0.06 0.37 99.16 0.21 0.00 0.00 0.00 30 L H H 34.50 16.06 15.57 31.73 91.85 51.07 -64.11 -41.93 0.11 0.00 99.89 0.02 0.01 0.05 99.85 0.07 0.00 0.00 0.00 31 M H H 95.87 4.35 20.41 25.09 91.73 50.92 -63.74 -41.64 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 32 A H H 53.17 4.39 20.25 24.59 91.69 50.23 -64.49 -42.02 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 33 M H H 41.48 14.51 17.09 31.94 92.04 49.85 -65.22 -41.84 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 34 V H H 55.71 11.02 18.83 30.13 91.93 49.88 -64.09 -42.07 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 35 M H H 103.65 2.34 21.88 23.10 91.69 49.67 -64.38 -42.00 0.13 0.00 99.87 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 36 G H H 26.18 6.41 19.14 26.65 91.81 50.23 -64.35 -42.16 0.20 0.00 99.79 0.02 0.01 0.15 99.75 0.08 0.00 0.00 0.00 37 V H H 33.74 13.89 16.46 31.01 91.91 49.82 -65.14 -41.16 0.26 0.00 99.73 0.02 0.01 0.20 99.66 0.11 0.00 0.00 0.00 38 A H H 49.77 6.20 18.92 25.90 91.43 50.68 -64.01 -41.59 0.27 0.00 99.72 0.02 0.01 0.21 99.58 0.19 0.00 0.00 0.00 39 V H H 81.84 2.23 20.01 21.17 91.71 49.95 -64.65 -41.67 0.56 0.00 99.44 0.03 0.02 0.45 98.93 0.55 0.00 0.00 0.00 40 I H H 54.44 8.13 15.73 25.54 92.20 49.85 -65.02 -40.07 1.19 0.01 98.81 0.08 0.06 0.98 97.93 0.94 0.00 0.00 0.00 41 A H H 35.35 11.26 12.56 24.93 91.38 52.45 -64.71 -36.63 3.25 0.03 96.73 0.28 0.21 2.66 94.38 2.44 0.01 0.02 0.00 42 L H H 114.06 2.24 15.44 17.93 92.49 52.62 -69.99 -31.54 12.06 0.04 87.90 0.47 0.56 11.19 84.80 2.91 0.03 0.02 0.02 43 T H H 97.78 1.55 14.74 15.83 98.24 41.71 -85.36 -24.30 24.75 0.13 75.12 1.50 2.06 21.14 72.92 2.18 0.07 0.05 0.08 44 V C H 76.60 6.08 11.44 18.88 106.45 36.24 -105.52 11.50 56.06 2.21 41.73 21.42 15.61 20.81 37.46 2.40 0.13 0.72 1.44 45 S C C 53.54 5.18 12.12 18.76 115.61 -90.40 -89.27 135.43 85.12 1.34 13.54 77.31 3.39 4.47 11.08 2.40 0.00 0.59 0.77 46 I H H 118.00 2.47 12.56 16.12 93.67 -107.79 -64.57 -33.46 37.13 0.43 62.44 8.25 5.79 21.91 37.08 26.44 0.06 0.23 0.25 47 W H H 162.33 1.75 14.25 16.07 92.18 56.14 -65.30 -37.68 22.79 0.25 76.96 3.27 2.26 15.29 46.73 32.15 0.04 0.15 0.11 48 W H H 85.44 9.41 11.34 22.14 92.31 51.90 -67.04 -36.94 6.75 0.07 93.19 1.10 0.63 4.16 59.77 34.27 0.00 0.05 0.01 49 W H H 123.59 7.11 13.21 21.67 91.69 54.55 -65.32 -38.01 3.91 0.02 96.07 0.33 0.26 2.83 64.08 32.48 0.00 0.02 0.00 50 A H H 73.80 1.58 16.72 17.46 92.11 53.26 -68.53 -29.40 10.20 0.02 89.78 0.35 0.46 8.40 57.49 33.27 0.01 0.01 0.01 51 L H H 83.02 5.29 15.46 21.84 94.44 49.55 -79.16 -24.14 25.91 0.06 74.03 0.84 1.48 21.78 50.71 25.08 0.03 0.03 0.04 52 V H H 38.71 14.42 12.32 27.02 93.74 65.59 -64.51 -39.93 19.30 0.10 80.61 7.13 5.83 6.95 77.17 2.80 0.02 0.03 0.07 53 P H H 74.18 3.62 17.67 21.85 91.50 55.27 -61.85 -41.50 5.79 0.01 94.20 1.05 0.47 3.82 92.45 2.21 0.00 0.00 0.00 54 P H H 77.96 2.20 18.98 20.35 91.65 50.10 -65.01 -39.72 3.68 0.01 96.32 0.47 0.23 2.68 93.48 3.14 0.00 0.01 0.00 55 L H H 48.73 11.12 15.62 27.69 92.17 50.22 -65.80 -40.68 0.97 0.00 99.03 0.12 0.06 0.66 97.53 1.62 0.00 0.00 0.00 56 W H H 93.75 11.81 16.24 28.42 91.69 52.40 -62.97 -41.58 0.18 0.00 99.82 0.02 0.01 0.11 99.75 0.11 0.00 0.00 0.00 57 F H H 122.24 2.17 20.27 21.53 91.68 50.42 -64.52 -41.92 0.10 0.00 99.90 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 58 I H H 81.69 4.39 19.85 24.44 91.91 49.49 -64.64 -42.18 0.08 0.00 99.92 0.00 0.00 0.05 99.90 0.03 0.00 0.00 0.00 59 M H H 38.29 14.75 16.01 31.25 91.99 50.53 -64.18 -41.67 0.12 0.00 99.88 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 60 A H H 42.00 8.79 17.83 27.69 91.70 51.16 -63.51 -41.21 0.30 0.00 99.70 0.02 0.01 0.23 99.66 0.07 0.00 0.00 0.00 61 Q H H 97.33 2.18 20.97 21.81 91.91 49.91 -64.71 -41.58 0.89 0.00 99.11 0.07 0.05 0.70 98.96 0.21 0.00 0.00 0.00 62 I H H 54.44 7.82 17.62 26.75 91.99 49.30 -65.08 -41.38 2.39 0.01 97.60 0.25 0.18 1.83 96.98 0.74 0.01 0.01 0.00 63 T H H 24.12 15.48 12.73 28.73 92.34 51.05 -67.09 -35.21 9.28 0.08 90.65 1.20 0.85 7.08 88.71 2.06 0.03 0.04 0.04 64 K H H 129.17 3.97 17.20 22.24 91.97 55.56 -69.36 -29.08 29.19 0.12 70.70 1.89 2.18 25.03 68.29 2.44 0.05 0.05 0.07 65 N H H 114.27 1.94 16.90 18.28 98.78 40.56 -96.52 -6.53 49.37 0.23 50.40 4.63 6.66 37.11 49.20 2.11 0.05 0.08 0.17 66 D C C 43.34 13.49 9.41 23.16 112.04 76.60 -103.82 109.21 96.47 0.35 3.19 86.90 7.84 1.60 2.79 0.46 0.00 0.10 0.31 67 D C T 105.15 2.66 16.56 19.91 93.76 -156.77 -66.87 -19.29 66.94 0.06 33.00 2.29 3.33 61.10 29.73 3.45 0.02 0.02 0.05 68 K C T 90.22 9.14 15.27 25.23 94.23 55.88 -74.14 -7.86 57.58 0.08 42.34 2.51 2.23 52.51 39.78 2.87 0.02 0.03 0.06 69 A H H 28.73 12.19 13.64 27.18 92.31 88.43 -60.97 -41.02 6.62 0.03 93.35 1.92 0.84 3.70 91.50 2.00 0.01 0.02 0.01 70 F H H 104.95 4.27 17.88 22.73 91.52 51.63 -64.14 -40.54 1.24 0.01 98.76 0.35 0.12 0.64 98.35 0.55 0.00 0.00 0.00 71 R H H 116.72 4.50 18.65 23.70 91.75 50.96 -65.15 -40.61 0.51 0.00 99.49 0.12 0.04 0.26 99.23 0.34 0.00 0.00 0.00 72 I H H 43.39 12.38 15.42 28.72 92.09 50.63 -64.43 -42.01 0.23 0.00 99.77 0.04 0.01 0.12 99.68 0.14 0.00 0.00 0.00 73 W H H 113.37 6.71 18.01 25.59 91.70 50.73 -63.41 -41.99 0.11 0.00 99.89 0.01 0.00 0.06 99.86 0.05 0.00 0.00 0.00 74 W H H 133.00 3.26 19.04 22.11 91.59 50.34 -64.03 -41.55 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.05 0.00 0.00 0.00 75 L H H 53.53 8.87 16.82 27.05 91.96 50.27 -64.84 -41.54 0.20 0.00 99.80 0.01 0.01 0.14 99.78 0.06 0.00 0.00 0.00 76 W H H 85.27 10.88 15.94 27.63 91.92 50.47 -63.44 -41.44 0.45 0.00 99.55 0.03 0.02 0.34 99.47 0.14 0.00 0.00 0.00 77 I H H 83.84 3.68 18.26 22.15 91.81 49.15 -64.63 -41.42 1.28 0.00 98.71 0.12 0.07 0.96 98.47 0.38 0.00 0.00 0.00 78 D H H 75.93 3.46 17.72 21.55 92.05 49.64 -65.71 -39.45 4.81 0.01 95.18 0.40 0.32 3.76 94.65 0.84 0.01 0.00 0.00 79 T H H 35.90 11.37 13.54 26.10 93.67 48.75 -70.96 -35.71 12.58 0.08 87.34 1.61 1.35 9.44 85.41 2.07 0.04 0.03 0.04 80 K H H 100.93 7.59 14.98 23.60 92.79 56.63 -65.10 -36.14 19.67 0.31 80.02 4.57 3.24 12.58 75.08 4.13 0.09 0.15 0.16 81 F H H 136.26 2.26 16.30 18.43 94.19 51.01 -72.47 -29.80 31.02 0.80 68.18 9.23 5.29 18.03 60.71 5.81 0.13 0.40 0.39 82 R H H 128.78 5.15 14.72 20.89 98.88 53.66 -84.61 -14.75 42.18 2.22 55.60 16.40 10.21 18.61 47.08 5.39 0.21 1.02 1.07 83 N C C 54.09 11.82 10.93 23.33 104.94 72.44 -91.17 76.82 65.99 2.63 31.38 41.55 9.81 14.50 26.37 5.15 0.02 1.17 1.44 84 R C T 142.11 4.01 15.29 20.53 96.10 156.04 -70.47 -20.15 68.83 2.64 28.53 28.64 12.36 28.78 20.12 7.45 0.06 1.32 1.28 85 N C C 74.91 7.58 12.40 21.45 98.62 57.86 -86.98 2.41 70.51 2.97 26.53 31.65 13.03 27.04 17.10 8.10 0.06 1.40 1.60 86 K C H 106.28 8.09 11.81 21.00 96.96 97.88 -74.03 -20.89 53.67 2.64 43.70 24.42 12.85 17.85 25.06 16.99 0.12 1.25 1.46 87 G C G 49.01 3.20 13.08 17.45 98.32 61.92 -70.45 -33.90 49.92 1.80 48.28 16.47 10.54 23.15 22.85 25.02 0.11 0.96 0.89 88 F H G 137.71 3.73 12.01 17.11 100.99 48.28 -83.25 -25.49 47.94 2.56 49.50 10.99 10.69 25.89 22.29 27.14 0.29 1.40 1.31 89 W C T 154.11 5.32 11.61 18.20 101.15 27.70 -93.97 13.53 60.62 1.77 37.60 9.26 11.40 38.50 18.03 20.52 0.18 0.93 1.17 90 G C T 54.55 2.59 14.50 17.94 99.07 -97.99 78.41 9.74 88.39 1.89 9.71 22.43 19.90 46.66 3.34 5.82 0.00 1.07 0.79 91 A C C 47.43 9.56 10.52 21.32 122.96 124.49 -100.60 150.08 84.59 9.93 5.48 58.89 17.43 7.93 1.71 3.98 0.00 6.89 3.16 92 S C C 66.45 6.43 15.18 22.95 119.49 -151.14 -110.23 140.94 69.87 24.73 5.40 51.45 11.63 6.49 1.75 3.88 0.01 20.14 4.64 93 S C C 52.18 10.70 13.62 25.13 128.14 -165.69 -127.53 148.79 62.47 34.20 3.33 44.40 13.20 4.92 1.16 2.38 0.01 29.57 4.36 94 Y C C 119.82 8.62 13.90 23.76 122.32 -154.58 -114.60 137.47 60.87 37.67 1.46 45.53 11.82 2.23 0.72 1.00 0.00 28.94 9.76 95 S C C 49.09 8.24 12.72 22.54 124.07 -163.72 -116.06 142.99 89.02 10.56 0.42 78.95 9.21 0.84 0.17 0.26 0.00 8.39 2.18 96 P C T 87.27 6.14 11.95 19.49 95.80 -118.77 -66.79 -19.20 82.23 2.53 15.24 22.58 23.55 37.54 4.79 9.11 0.01 1.60 0.82 97 A C T 78.88 2.91 11.47 15.58 110.24 62.41 -92.97 83.13 79.58 2.06 18.36 18.48 24.20 38.31 5.45 11.41 0.02 1.17 0.96 98 N C C 113.35 2.67 11.60 15.55 109.31 -83.81 -89.68 109.51 77.69 4.26 18.05 42.95 17.09 18.19 4.83 12.83 0.01 2.64 1.46 99 Y C C 129.07 7.37 7.43 16.04 115.76 92.63 -97.50 129.15 78.36 9.23 12.41 57.60 11.86 8.68 5.65 6.83 0.00 6.25 3.12 100 R C C 164.00 2.13 9.64 13.54 119.57 -165.42 -107.34 136.21 81.04 11.18 7.78 62.96 11.68 6.05 4.16 3.71 0.00 8.09 3.34 101 K C C 151.07 2.60 7.68 12.41 114.08 -127.75 -85.57 133.01 83.54 9.87 6.59 67.87 8.90 6.46 3.15 3.36 0.00 7.29 2.97 102 R C C 165.56 2.72 6.87 11.59 113.06 -139.44 -90.70 133.36 94.05 3.01 2.94 90.05 1.08 3.77 1.30 1.00 0.00 1.85 0.94 103 R C C 184.68 1.47 10.01 12.61 107.32 -129.89 -83.54 106.41 99.92 0.05 0.02 99.80 0.10 0.06 0.01 0.00 0.00 0.02 0.01