# 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 131.17 3.73 10.44 15.86 114.08 -166.51 -98.24 128.33 99.61 0.36 0.03 99.48 0.18 0.09 0.01 0.00 0.00 0.16 0.08 1 A C C 82.85 3.04 8.09 13.00 114.18 -168.65 -94.06 136.52 94.34 4.71 0.95 85.42 1.83 7.32 0.28 0.50 0.00 2.87 1.78 2 G C C 58.06 1.56 9.31 12.05 116.94 -68.08 80.68 169.87 95.96 3.38 0.66 54.78 29.99 11.31 0.13 0.63 0.00 1.99 1.16 3 A C C 83.54 2.24 8.39 12.32 117.99 -75.70 -83.15 147.00 97.18 2.55 0.26 66.74 28.91 1.70 0.06 0.22 0.00 1.35 1.02 4 P C C 99.97 3.25 8.32 13.56 112.86 -100.21 -68.03 146.60 96.72 2.77 0.52 77.30 16.21 3.09 0.12 0.45 0.00 1.42 1.40 5 H C C 143.51 2.12 8.81 12.68 117.59 -128.48 -96.52 134.65 94.92 4.41 0.67 73.88 18.25 2.51 0.19 0.53 0.00 1.93 2.72 6 P C T 106.38 2.35 8.32 12.42 109.77 -102.40 -68.93 139.66 93.41 2.35 4.24 30.72 21.35 41.53 0.64 3.68 0.00 1.36 0.73 7 H C T 158.34 1.72 9.28 12.20 103.88 -50.03 -83.67 39.13 88.44 6.75 4.81 29.70 21.35 38.20 0.79 3.92 0.00 4.72 1.32 8 T C C 92.78 2.71 9.04 13.62 119.32 143.64 -107.79 138.55 73.49 21.86 4.65 50.06 16.19 6.81 1.54 3.48 0.01 16.27 5.63 9 Y C C 164.14 3.33 8.00 13.48 115.05 -132.58 -91.23 131.30 66.80 30.43 2.77 54.11 7.31 3.24 1.29 1.71 0.00 23.23 9.10 10 M C C 128.65 3.00 9.00 13.79 111.81 -164.88 -101.47 109.88 74.08 21.79 4.13 53.98 11.86 7.23 1.82 2.54 0.01 16.81 5.75 11 G C C 46.78 3.18 10.85 15.53 118.97 -111.58 96.15 -167.32 77.24 11.86 10.90 34.55 23.27 21.16 3.46 6.60 0.07 7.54 3.36 12 W C C 189.18 2.25 11.15 14.49 110.38 -47.33 -85.70 118.44 72.04 8.33 19.63 29.51 19.05 25.22 6.22 11.89 0.13 4.37 3.61 13 W C T 162.71 4.57 9.02 15.11 106.10 71.27 -79.18 110.18 60.56 5.40 34.04 16.51 13.92 31.33 8.78 23.47 0.23 2.98 2.77 14 G C T 47.24 4.53 11.22 17.09 106.06 28.92 80.28 -31.90 57.49 3.36 39.15 13.93 13.04 31.58 8.49 29.29 0.12 1.88 1.67 15 S C G 79.10 3.05 10.65 15.02 101.50 40.92 -89.35 17.00 55.68 4.50 39.82 20.36 14.12 23.87 8.03 29.04 0.10 2.36 2.12 16 L C T 116.67 3.26 8.63 13.70 103.15 106.20 -81.18 19.60 71.96 4.28 23.76 17.63 16.85 38.21 6.78 15.79 0.10 2.18 2.45 17 G C T 63.11 1.02 11.00 12.14 100.13 -53.16 83.18 4.34 89.56 3.42 7.03 29.81 25.83 34.45 1.45 5.22 0.00 1.70 1.54 18 S C C 64.88 4.34 7.25 13.65 120.52 122.56 -91.39 148.50 94.95 4.55 0.51 52.40 41.41 1.50 0.16 0.33 0.00 2.03 2.18 19 P C C 109.08 1.36 10.76 12.67 114.16 -97.82 -67.02 150.27 95.81 3.18 1.01 70.11 21.13 4.56 0.25 0.81 0.00 1.97 1.16 20 K C C 164.14 1.59 8.72 12.05 113.15 -100.25 -72.83 138.53 90.88 7.34 1.78 72.42 13.69 4.51 0.56 1.34 0.00 4.50 2.99 21 Q C C 120.63 3.85 6.41 12.35 116.54 -139.55 -98.25 133.33 83.87 14.37 1.75 75.80 5.52 1.94 0.70 1.03 0.00 8.41 6.60 22 K C C 169.81 0.82 8.48 9.95 115.11 -151.35 -95.49 132.61 81.86 14.28 3.86 45.10 21.24 16.66 1.52 2.27 0.01 10.19 3.01 23 Y C C 196.10 0.94 9.01 10.45 101.51 7.31 58.78 35.26 80.55 15.48 3.97 32.97 29.62 19.29 1.55 2.21 0.02 12.59 1.75 24 I C C 119.57 2.81 6.28 11.16 116.41 138.55 -100.12 127.48 63.88 32.61 3.50 52.31 8.04 2.87 2.02 1.62 0.02 29.68 3.45 25 T C C 103.69 1.91 7.92 11.65 119.04 -166.86 -111.57 132.70 53.49 42.12 4.39 44.92 5.58 2.27 3.00 1.55 0.01 40.83 1.83 26 Q E E 136.92 1.95 8.47 12.46 121.00 -164.23 -116.78 136.83 44.55 50.29 5.16 37.66 4.38 1.87 3.64 1.53 0.01 49.36 1.56 27 Y E E 161.33 2.78 7.89 12.96 122.65 -168.53 -119.71 138.42 44.16 51.00 4.85 36.75 4.75 2.08 3.44 1.47 0.01 49.86 1.64 28 T C E 103.78 2.04 9.48 13.49 122.92 -168.26 -121.61 140.89 52.44 44.75 2.81 43.03 6.69 1.84 2.15 0.87 0.01 43.44 1.97 29 I C C 111.84 4.13 7.97 14.18 118.48 -149.68 -104.59 135.84 61.96 36.68 1.36 53.16 7.32 0.86 1.16 0.49 0.01 30.58 6.42 30 S C C 60.54 3.12 10.09 14.86 116.96 -117.22 -81.05 147.96 98.32 1.30 0.38 95.64 2.69 0.28 0.26 0.07 0.00 0.83 0.23 31 P H H 100.11 2.77 9.87 14.33 93.10 -117.06 -60.22 -32.60 31.81 0.22 67.97 2.82 3.09 23.29 43.04 27.46 0.06 0.12 0.12 32 Y H H 175.79 1.13 11.26 12.49 94.64 55.35 -71.81 -29.01 29.97 0.23 69.80 2.12 2.70 22.03 41.68 31.11 0.09 0.12 0.14 33 A H H 62.39 3.64 10.63 15.78 97.85 52.79 -79.31 -18.96 27.25 0.72 72.03 4.51 4.09 16.28 40.68 33.57 0.15 0.39 0.33 34 A H H 50.26 6.58 9.18 17.47 99.11 63.12 -77.02 -20.10 40.65 1.25 58.10 12.82 10.41 18.95 40.24 16.03 0.17 0.52 0.86 35 K H G 131.43 2.97 11.50 15.90 99.86 81.07 -71.76 -21.28 41.69 0.57 57.74 19.96 7.28 14.83 17.99 39.37 0.00 0.29 0.29 36 P H G 97.95 2.04 11.61 14.46 94.83 57.08 -68.43 -27.77 41.31 0.32 58.36 7.20 4.28 28.21 15.37 44.57 0.01 0.16 0.19 37 L H G 104.36 3.62 10.68 15.75 97.78 48.28 -89.09 0.65 39.60 0.58 59.82 7.54 4.61 25.99 16.98 44.22 0.02 0.29 0.35 38 K C T 126.92 3.71 11.48 16.98 106.85 106.98 -66.44 120.01 61.26 0.59 38.14 4.46 4.60 50.83 30.06 9.15 0.11 0.26 0.53 39 G C T 46.48 2.87 13.07 16.86 96.83 21.46 74.90 -15.73 58.03 0.23 41.74 3.84 4.50 49.18 34.48 7.65 0.05 0.10 0.20 40 A H H 62.18 2.92 11.82 16.06 93.72 66.64 -65.51 -40.32 23.44 0.55 76.01 9.24 4.26 11.06 63.66 11.11 0.11 0.27 0.28 41 A H H 69.82 1.92 13.30 15.42 93.12 50.24 -65.71 -40.49 15.25 0.81 83.93 4.90 2.85 8.63 72.66 9.81 0.34 0.44 0.38 42 Y H H 139.58 2.05 13.76 16.05 93.61 47.79 -67.71 -39.75 15.23 0.92 83.85 3.86 2.86 9.45 72.93 9.40 0.56 0.48 0.46 43 N H H 86.06 2.99 13.43 17.35 93.38 50.12 -67.48 -38.82 17.81 0.74 81.44 4.01 3.31 11.48 73.27 6.67 0.50 0.35 0.41 44 A H H 58.80 2.73 13.61 17.16 92.92 51.03 -66.11 -40.79 19.07 0.76 80.18 3.83 3.47 12.46 72.07 6.68 0.69 0.36 0.45 45 V H H 88.21 1.97 14.62 16.43 92.98 46.26 -67.18 -41.08 20.37 0.99 78.65 3.47 3.35 14.14 71.19 5.91 0.90 0.47 0.58 46 F H H 113.26 2.41 14.23 17.06 92.94 47.50 -67.69 -39.48 23.49 1.05 75.46 5.26 4.57 15.13 68.50 4.92 0.55 0.49 0.58 47 N H H 77.14 3.52 13.37 18.16 93.44 50.32 -67.43 -37.90 30.30 0.80 68.90 10.92 5.17 15.60 64.45 2.94 0.12 0.36 0.44 48 T H H 70.74 2.85 14.08 17.77 92.60 52.62 -64.77 -41.17 17.09 0.29 82.62 3.86 3.11 10.89 79.73 1.99 0.13 0.12 0.16 49 F H H 121.31 1.75 15.02 16.40 92.21 50.02 -64.86 -41.31 6.42 0.12 93.46 1.49 1.15 4.04 91.58 1.57 0.07 0.06 0.05 50 R H H 123.28 2.34 14.39 17.12 92.32 49.93 -65.24 -40.74 3.95 0.09 95.96 1.05 0.60 2.45 94.00 1.76 0.06 0.05 0.03 51 R H H 120.93 2.94 13.39 17.32 92.04 49.98 -65.04 -40.41 4.11 0.08 95.81 0.92 0.55 2.75 93.56 2.10 0.05 0.04 0.03 52 T H H 75.38 2.58 13.40 16.71 92.50 48.20 -66.38 -40.06 4.88 0.05 95.08 0.80 0.56 3.50 92.82 2.25 0.03 0.02 0.02 53 K H H 130.42 1.71 14.42 15.87 92.49 49.83 -66.76 -38.13 7.02 0.03 92.95 0.56 0.53 5.78 88.27 4.79 0.04 0.02 0.02 54 N H H 98.08 2.24 13.77 16.29 94.42 46.46 -77.08 -26.83 27.67 0.03 72.30 0.59 0.94 26.47 66.69 5.24 0.04 0.01 0.03 55 Q H H 87.17 4.91 11.31 17.92 97.18 52.05 -85.92 -15.86 41.66 0.05 58.29 1.39 1.46 38.45 52.96 5.66 0.02 0.02 0.04 56 F H H 118.72 3.15 11.89 16.53 92.76 74.12 -62.28 -40.46 7.45 0.04 92.50 1.43 0.95 4.55 81.05 11.97 0.01 0.02 0.02 57 L H H 112.34 1.54 13.86 14.97 92.60 51.83 -66.36 -36.84 3.16 0.01 96.83 0.23 0.19 2.39 80.22 16.96 0.00 0.01 0.00 58 Y H H 138.42 2.38 13.31 16.28 94.33 47.80 -71.99 -36.17 3.38 0.01 96.60 0.18 0.18 2.75 80.45 16.41 0.00 0.01 0.00 59 V H H 80.12 3.61 12.87 17.71 95.76 44.80 -76.38 -34.55 10.10 0.04 89.86 0.48 0.68 8.97 81.10 8.70 0.04 0.02 0.02 60 A H H 57.49 2.49 13.90 17.00 92.48 55.15 -64.01 -42.26 5.53 0.02 94.44 1.05 1.11 3.01 94.11 0.69 0.00 0.01 0.01 61 I H H 93.19 2.05 15.10 17.01 92.24 49.69 -64.54 -41.62 1.31 0.00 98.69 0.21 0.10 0.77 98.54 0.38 0.00 0.00 0.00 62 P H H 65.85 3.53 14.23 18.97 91.80 50.15 -64.41 -40.35 0.62 0.00 99.38 0.08 0.03 0.40 99.13 0.36 0.00 0.00 0.00 63 F H H 115.26 2.66 14.98 18.13 92.07 50.07 -64.92 -40.70 0.18 0.00 99.82 0.01 0.01 0.11 99.71 0.16 0.00 0.00 0.00 64 V H H 86.17 1.84 15.58 17.00 92.06 49.94 -64.34 -41.54 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 65 V H H 83.68 2.09 15.60 17.52 91.92 49.31 -64.60 -41.74 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 66 V H H 75.62 2.94 14.71 18.43 91.78 49.94 -64.17 -41.68 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 67 W H H 138.42 2.36 15.40 17.92 91.77 50.21 -64.18 -41.33 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 68 S H H 59.42 2.18 15.46 17.64 91.79 50.35 -64.02 -41.76 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 69 I H H 91.98 2.34 15.51 17.95 91.89 49.36 -64.18 -42.07 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 70 W H H 134.33 2.78 15.38 18.68 91.95 49.48 -64.93 -41.43 0.15 0.00 99.85 0.01 0.00 0.11 99.85 0.03 0.00 0.00 0.00 71 T H H 70.42 2.46 15.94 18.45 91.88 49.91 -64.68 -41.59 0.49 0.00 99.51 0.03 0.02 0.38 99.52 0.05 0.00 0.00 0.00 72 R H H 125.79 2.05 16.32 18.04 92.02 49.68 -64.73 -40.83 1.02 0.00 98.97 0.06 0.06 0.83 98.96 0.09 0.00 0.00 0.00 73 A H H 50.97 3.51 14.69 19.38 91.94 51.33 -63.90 -41.41 0.93 0.00 99.07 0.10 0.06 0.67 99.05 0.12 0.00 0.00 0.00 74 R H H 133.59 2.28 16.59 18.77 92.06 49.79 -64.97 -40.93 0.64 0.00 99.36 0.06 0.04 0.45 99.32 0.12 0.00 0.00 0.00 75 D H H 80.59 2.54 16.61 19.18 92.15 49.83 -65.10 -40.88 0.77 0.00 99.22 0.07 0.04 0.54 99.22 0.12 0.00 0.00 0.00 76 Y H H 114.56 3.89 15.88 20.73 92.12 50.03 -64.84 -41.11 0.67 0.00 99.33 0.07 0.04 0.45 99.30 0.14 0.00 0.00 0.00 77 N H H 73.84 4.08 15.42 20.66 92.01 50.39 -64.97 -40.04 0.95 0.00 99.05 0.11 0.07 0.65 98.86 0.31 0.00 0.00 0.00 78 E H H 100.04 2.38 16.38 18.75 91.90 50.97 -64.69 -40.37 1.35 0.00 98.64 0.13 0.09 1.05 97.91 0.82 0.00 0.00 0.00 79 Y H H 104.85 4.59 14.63 20.60 92.84 49.94 -66.68 -38.59 2.55 0.00 97.44 0.14 0.14 2.17 95.93 1.60 0.00 0.00 0.00 80 L H H 81.20 6.31 13.32 21.15 92.85 52.02 -71.73 -26.90 16.40 0.01 83.58 0.36 0.51 16.09 81.34 1.68 0.01 0.00 0.01 81 Y C T 153.68 2.56 14.62 17.79 98.41 41.82 -97.67 -5.51 58.94 0.10 40.96 1.77 3.36 52.72 40.10 1.91 0.02 0.03 0.09 82 T C S 56.68 4.97 10.51 17.66 122.38 88.52 -90.53 155.85 95.48 1.08 3.44 15.77 77.49 1.68 3.51 0.27 0.00 0.19 1.09 83 K H H 155.58 1.24 13.36 14.62 91.80 -114.89 -59.60 -37.51 13.88 0.07 86.05 1.62 2.94 9.45 83.45 2.41 0.05 0.02 0.05 84 E H H 123.59 1.52 15.00 16.01 91.52 51.82 -64.91 -38.80 12.00 0.04 87.97 0.91 1.08 9.81 85.05 3.07 0.04 0.01 0.02 85 G H H 14.79 8.73 10.99 22.07 91.77 50.30 -64.51 -40.26 7.85 0.04 92.11 1.30 0.85 5.48 88.85 3.46 0.02 0.02 0.02 86 R H H 120.10 3.82 14.47 19.53 91.89 51.90 -62.72 -41.32 2.09 0.01 97.89 0.70 0.28 1.01 96.90 1.09 0.00 0.01 0.00 87 E H H 107.61 1.41 16.41 16.61 91.64 50.39 -64.22 -41.02 1.46 0.01 98.52 0.39 0.14 0.81 97.91 0.73 0.00 0.01 0.00 88 E H H 91.35 3.00 14.52 18.35 91.89 49.95 -64.52 -40.66 1.71 0.01 98.28 0.41 0.16 0.98 97.64 0.79 0.00 0.01 0.00 89 L H H 65.17 5.89 11.53 19.30 92.20 50.85 -65.10 -40.09 2.34 0.01 97.64 0.57 0.23 1.37 96.72 1.10 0.00 0.01 0.00 90 E H H 117.52 1.66 12.91 14.79 91.89 52.05 -65.06 -38.09 5.57 0.03 94.41 0.94 0.45 3.93 93.08 1.57 0.01 0.01 0.01 91 R H H 161.06 1.15 12.29 13.26 92.71 52.20 -68.07 -34.42 13.48 0.07 86.46 2.14 1.21 9.88 84.51 2.19 0.01 0.03 0.04 92 V H H 93.41 3.33 9.74 14.48 95.57 52.26 -73.86 -26.00 30.35 0.24 69.41 5.91 3.63 21.00 66.82 2.36 0.04 0.09 0.15 93 N C H 119.88 1.85 10.02 12.98 99.62 50.75 -85.17 6.95 63.35 0.26 36.40 23.43 1.38 35.95 37.08 1.90 0.00 0.09 0.17 94 V C C 97.19 3.64 10.26 15.54 105.24 100.06 -84.50 52.51 99.88 0.03 0.09 99.68 0.11 0.12 0.07 0.01 0.00 0.01 0.01