# 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 101.06 8.74 12.50 21.91 115.65 -166.27 -94.73 132.76 99.88 0.11 0.01 99.80 0.09 0.04 0.00 0.00 0.00 0.05 0.01 1 G C C 43.76 5.03 11.25 17.74 120.04 -138.74 99.04 169.05 90.81 7.97 1.23 86.91 1.50 2.86 0.50 0.51 0.00 5.45 2.27 2 R C C 165.28 3.02 9.18 13.93 113.29 -97.97 -92.87 130.11 82.22 14.23 3.55 61.98 13.13 6.35 1.36 2.34 0.00 9.05 5.79 3 K C C 137.73 3.84 8.55 14.18 111.44 -137.01 -89.39 126.18 84.15 10.38 5.47 64.17 10.95 8.43 1.62 4.06 0.00 6.47 4.29 4 K C T 163.23 1.59 9.84 12.71 108.75 -130.95 -82.08 124.50 91.89 3.19 4.93 26.95 18.66 46.68 0.99 3.76 0.00 1.84 1.12 5 G C T 56.82 2.00 11.55 14.39 109.97 12.48 92.31 -2.61 95.21 1.43 3.35 21.70 27.09 46.45 0.49 2.94 0.00 0.83 0.51 6 L C C 95.98 6.25 9.22 17.08 117.91 -7.54 -95.79 136.57 95.62 3.42 0.95 47.58 46.13 2.14 0.31 0.58 0.00 1.40 1.87 7 P C C 72.71 7.17 10.98 19.74 113.14 -107.87 -69.85 146.72 95.88 2.33 1.79 82.71 8.91 4.19 0.48 1.32 0.00 1.36 1.03 8 E C C 136.67 3.23 13.79 18.51 111.93 -119.80 -83.26 129.23 92.87 3.66 3.47 75.56 12.48 4.41 1.08 2.48 0.00 1.83 2.16 9 F C C 94.01 11.89 9.01 21.02 113.91 -144.24 -92.66 129.12 91.67 3.37 4.96 72.96 13.51 4.93 1.52 3.44 0.00 1.76 1.88 10 E C C 124.78 4.15 13.51 19.12 109.77 -151.68 -90.59 115.81 91.63 2.73 5.65 77.57 8.72 5.24 1.58 4.02 0.00 1.54 1.33 11 E C C 122.75 5.92 12.34 19.61 104.05 152.33 -86.86 18.51 90.82 2.46 6.72 59.82 19.16 11.50 1.46 5.53 0.00 1.26 1.27 12 S C C 72.98 4.18 14.88 20.36 118.50 56.78 -107.43 142.48 93.80 3.04 3.16 65.51 20.58 7.15 0.73 2.67 0.00 1.21 2.16 13 A C C 43.56 13.32 10.19 23.47 117.83 -110.99 -73.65 151.56 98.92 0.88 0.20 85.72 12.77 0.44 0.07 0.11 0.00 0.34 0.56 14 P C C 52.01 9.26 11.39 22.28 115.65 -102.11 -66.16 151.98 98.83 0.53 0.64 93.19 3.69 1.88 0.16 0.42 0.00 0.19 0.47 15 D C T 131.08 0.81 14.36 14.48 106.62 -86.08 -65.64 126.78 97.58 0.31 2.11 4.13 12.04 81.28 0.29 1.86 0.00 0.16 0.25 16 G C T 59.13 1.67 14.41 16.27 98.08 14.22 83.45 -1.92 97.52 0.36 2.12 5.71 11.14 80.52 0.29 1.93 0.00 0.21 0.19 17 F C C 65.30 14.98 7.87 22.04 116.72 122.99 -89.59 137.88 86.25 11.87 1.89 55.60 25.70 3.29 0.58 1.27 0.00 2.83 10.74 18 D C C 67.91 5.66 14.56 21.82 110.17 -143.53 -103.09 113.21 97.27 2.28 0.45 85.90 9.49 1.61 0.14 0.32 0.00 0.94 1.61 19 P C T 85.25 7.61 11.00 20.45 92.66 -158.35 -64.75 -22.17 96.10 0.22 3.67 4.34 13.88 77.56 0.35 3.60 0.00 0.13 0.13 20 E C T 155.69 0.83 14.99 14.53 94.09 60.54 -77.33 -19.02 95.14 0.40 4.46 3.14 19.74 72.29 0.54 3.83 0.00 0.20 0.27 21 N C C 68.21 6.02 12.42 20.32 109.78 33.09 -123.88 85.75 92.41 3.61 3.98 46.39 40.40 5.39 0.79 3.16 0.00 1.36 2.50 22 P H G 50.43 11.62 11.40 24.55 92.87 -174.61 -64.39 -24.45 44.21 0.79 55.00 13.87 4.46 22.03 1.79 57.20 0.00 0.47 0.19 23 Y H G 95.90 11.36 12.82 24.88 92.98 64.50 -76.50 -11.18 42.65 0.41 56.94 3.77 3.56 31.52 1.32 59.48 0.00 0.24 0.11 24 K H G 141.59 2.70 16.98 20.26 94.25 67.47 -84.87 -5.82 41.78 0.48 57.74 7.14 6.44 24.36 1.31 60.35 0.00 0.25 0.15 25 D C C 51.35 9.13 10.95 22.04 109.21 97.91 -91.01 113.88 99.13 0.42 0.46 68.78 30.03 0.24 0.32 0.10 0.00 0.08 0.44 26 P H H 88.99 3.76 15.26 20.64 92.51 -158.77 -62.26 -34.58 4.41 0.01 95.58 0.61 0.60 3.01 95.27 0.50 0.00 0.00 0.00 27 V H H 89.37 2.71 17.96 20.69 91.94 54.53 -64.87 -40.80 1.62 0.00 98.38 0.15 0.12 1.26 98.00 0.47 0.00 0.00 0.00 28 A H H 17.53 11.00 14.57 27.65 91.66 50.20 -64.48 -41.54 0.39 0.00 99.61 0.07 0.03 0.23 99.25 0.43 0.00 0.00 0.00 29 M H H 56.40 10.68 16.41 28.15 91.98 50.66 -63.66 -42.54 0.16 0.00 99.84 0.03 0.01 0.08 99.75 0.13 0.00 0.00 0.00 30 V H H 72.56 3.42 20.65 23.94 91.64 49.39 -63.83 -42.49 0.14 0.00 99.86 0.02 0.01 0.08 99.86 0.04 0.00 0.00 0.00 31 E H H 90.62 4.32 20.89 25.47 91.61 49.49 -64.65 -41.37 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 32 M H H 36.62 13.28 16.58 30.82 91.85 50.81 -64.19 -41.73 0.26 0.00 99.74 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 33 R H H 110.61 7.04 20.42 27.96 91.88 50.91 -63.88 -41.19 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 34 E H H 94.69 3.98 21.25 25.17 91.90 50.53 -64.63 -41.24 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 35 H H H 74.12 8.63 19.72 28.83 92.22 50.10 -65.35 -41.23 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 36 I H H 48.62 10.97 18.66 30.29 91.99 50.17 -64.24 -42.25 0.27 0.00 99.73 0.03 0.01 0.17 99.76 0.03 0.00 0.00 0.00 37 V H H 62.53 5.35 20.92 26.88 91.76 49.76 -64.05 -42.72 0.34 0.00 99.66 0.06 0.02 0.18 99.70 0.03 0.00 0.00 0.00 38 R H H 103.01 5.85 21.10 27.30 91.74 49.88 -64.36 -42.06 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 39 E H H 54.68 11.41 18.89 30.80 92.00 50.47 -64.67 -40.94 0.17 0.00 99.83 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 40 K H H 89.53 8.59 20.49 29.22 91.89 50.95 -64.22 -41.36 0.24 0.00 99.76 0.01 0.01 0.18 99.76 0.03 0.00 0.00 0.00 41 W H H 119.51 4.97 21.49 26.59 91.90 50.26 -64.59 -42.26 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 42 I H H 53.54 8.42 20.35 29.54 91.92 49.20 -64.30 -42.91 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 43 Q H H 59.24 11.32 19.86 31.34 91.96 50.18 -63.95 -41.68 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 44 I H H 62.39 7.78 20.40 29.04 91.95 50.04 -64.12 -42.15 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 45 E H H 86.01 4.49 22.39 26.70 91.81 49.82 -64.44 -42.03 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 46 K H H 76.21 9.48 21.26 30.74 91.93 49.65 -65.01 -41.16 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 47 A H H 20.44 13.14 17.88 32.12 91.70 51.89 -63.63 -41.42 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 48 K H H 106.23 3.94 22.36 26.24 91.79 50.70 -64.50 -41.23 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 49 I H H 72.33 5.48 21.43 26.99 91.63 49.35 -64.28 -42.56 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 50 L H H 35.93 13.91 18.31 32.74 91.99 49.72 -64.38 -42.35 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 51 R H H 99.09 9.45 19.87 29.66 91.56 51.22 -63.38 -41.38 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 52 E H H 99.04 2.75 22.71 24.42 91.59 49.80 -64.64 -41.33 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 53 K H H 83.88 8.04 20.93 29.24 91.92 49.72 -64.74 -41.46 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 54 V H H 22.89 16.69 16.94 34.06 91.68 50.74 -64.28 -41.91 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 55 K H H 103.81 4.80 22.11 27.17 91.55 51.27 -63.24 -41.91 0.21 0.00 99.79 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 56 W H H 123.71 2.97 22.26 24.45 91.62 49.62 -64.09 -41.71 0.26 0.00 99.74 0.02 0.01 0.17 99.77 0.04 0.00 0.00 0.00 57 C H H 15.10 12.67 15.55 30.20 91.71 50.53 -63.66 -42.28 0.32 0.00 99.68 0.03 0.02 0.18 99.71 0.05 0.00 0.00 0.00 58 Y H H 71.22 11.36 15.11 27.35 92.11 50.87 -64.72 -40.47 0.24 0.00 99.76 0.02 0.01 0.14 99.76 0.06 0.00 0.00 0.00 59 R H H 161.87 1.65 17.65 18.88 92.63 49.12 -66.76 -39.12 0.42 0.00 99.58 0.02 0.02 0.32 99.53 0.11 0.00 0.00 0.00 60 V H H 95.81 3.34 16.24 19.90 97.84 38.68 -81.38 -37.65 1.62 0.00 98.37 0.03 0.07 1.48 98.24 0.18 0.00 0.00 0.00 61 E H H 83.27 7.83 12.33 21.40 100.63 29.68 -102.64 -15.39 8.50 0.02 91.48 0.43 1.11 6.78 91.40 0.26 0.01 0.00 0.01 62 G C C 34.10 3.43 15.59 20.38 123.85 -130.63 81.75 -170.32 85.94 0.71 13.35 50.04 19.36 15.47 2.91 11.30 0.00 0.25 0.67 63 V C T 107.01 3.79 13.83 18.87 96.55 -35.85 -72.16 -22.12 83.78 0.67 15.55 4.44 24.43 55.57 2.01 12.67 0.01 0.33 0.53 64 N C T 87.50 3.96 15.95 20.75 98.99 51.12 -95.49 36.18 86.06 0.26 13.68 32.29 9.88 44.14 3.03 10.33 0.00 0.11 0.22 65 H H H 36.41 15.33 11.24 27.27 93.31 140.41 -60.65 -39.03 8.52 0.07 91.41 3.28 1.71 3.92 85.36 5.64 0.02 0.02 0.05 66 Y H H 105.02 10.50 15.21 26.27 91.75 52.79 -64.63 -36.08 3.95 0.01 96.04 0.30 0.34 3.12 88.18 8.04 0.01 0.00 0.00 67 Q H H 121.00 1.60 19.35 19.66 92.83 49.21 -68.46 -37.47 2.97 0.01 97.02 0.19 0.20 2.37 89.26 7.97 0.00 0.00 0.00 68 K H H 104.97 5.97 17.24 24.04 94.85 41.53 -78.47 -29.61 6.83 0.01 93.16 0.22 0.45 6.09 87.67 5.53 0.02 0.00 0.01 69 C C T 14.39 18.68 11.01 29.84 103.14 36.57 -114.86 18.83 59.40 0.20 40.40 7.49 4.56 46.56 36.89 4.21 0.02 0.07 0.19 70 R H H 116.52 7.86 15.92 25.51 92.48 117.74 -58.52 -41.43 1.37 0.00 98.63 0.24 0.12 0.79 98.18 0.67 0.00 0.00 0.00 71 H H H 126.28 1.64 21.50 21.46 91.92 52.08 -64.58 -40.01 0.45 0.00 99.55 0.03 0.02 0.35 99.08 0.52 0.00 0.00 0.00 72 L H H 33.17 13.20 17.75 31.79 92.23 49.15 -65.58 -41.66 0.19 0.00 99.81 0.01 0.01 0.12 99.49 0.36 0.00 0.00 0.00 73 V H H 22.36 17.20 15.88 33.29 91.85 51.35 -62.81 -43.01 0.14 0.00 99.86 0.01 0.01 0.07 99.82 0.09 0.00 0.00 0.00 74 Q H H 97.72 3.40 21.80 24.99 91.57 50.50 -63.83 -41.07 0.24 0.00 99.76 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 75 Q H H 87.86 4.25 21.02 25.27 91.83 50.21 -64.53 -41.53 0.25 0.00 99.75 0.02 0.01 0.17 99.71 0.09 0.00 0.00 0.00 76 Y H H 35.53 16.73 16.45 33.41 92.26 48.59 -65.31 -42.45 0.43 0.00 99.57 0.04 0.02 0.28 99.45 0.20 0.00 0.00 0.00 77 L H H 51.89 12.86 17.14 30.31 92.00 50.26 -64.34 -39.99 0.88 0.00 99.11 0.08 0.05 0.64 98.66 0.56 0.00 0.00 0.00 78 D H H 98.16 2.12 20.63 22.02 92.35 51.59 -65.93 -38.03 3.60 0.00 96.40 0.20 0.18 3.06 94.71 1.85 0.00 0.00 0.00 79 S H H 50.30 7.84 17.11 25.96 92.44 51.56 -69.61 -29.00 12.19 0.02 87.79 0.52 0.63 10.97 85.31 2.55 0.02 0.01 0.01 80 T H H 29.46 17.02 12.99 29.69 97.80 47.68 -90.54 -7.91 36.93 0.44 62.62 6.47 4.89 26.59 57.31 4.15 0.11 0.17 0.32 81 R C T 131.60 7.64 15.37 24.42 107.44 102.68 -69.41 123.19 65.65 1.76 32.58 13.50 8.09 43.34 26.60 6.43 0.11 0.80 1.13 82 G C T 52.98 3.47 16.97 21.19 98.30 21.35 80.04 -1.37 78.08 1.12 20.80 20.08 11.11 47.31 14.17 6.07 0.02 0.53 0.71 83 V C C 71.54 9.27 12.54 22.88 112.45 102.52 -93.99 120.90 81.71 2.58 15.71 38.81 23.47 20.32 9.03 5.62 0.03 0.98 1.75 84 G C C 33.92 7.14 15.29 23.46 121.67 6.25 92.48 -167.68 85.39 2.74 11.87 39.48 24.53 21.99 3.84 7.21 0.01 1.09 1.85 85 W C T 147.29 7.29 13.52 21.78 106.69 -40.98 -73.34 105.42 79.12 2.32 18.56 18.04 18.48 43.13 4.89 12.81 0.03 1.09 1.54 86 G C T 42.41 6.68 14.58 22.20 99.18 20.28 69.56 -5.94 78.27 1.87 19.87 19.08 17.57 42.22 4.75 14.30 0.02 0.89 1.16 87 K C C 113.28 7.20 12.68 20.92 98.91 90.81 -73.41 -18.99 70.95 3.25 25.79 35.32 18.08 18.26 6.00 18.88 0.02 1.42 2.03 88 D C C 96.60 4.71 13.87 19.76 99.39 63.74 -84.24 -7.14 78.09 2.92 19.00 39.54 17.02 22.01 4.47 13.96 0.01 1.36 1.63 89 H C C 114.24 6.49 13.22 20.88 105.14 71.01 -94.32 45.24 86.03 2.41 11.56 49.63 18.61 17.45 2.63 9.06 0.00 1.07 1.53 90 R C C 114.23 8.59 11.78 21.64 117.28 128.45 -94.95 133.87 97.64 1.58 0.77 69.99 26.77 0.94 0.35 0.34 0.00 0.54 1.07 91 P C C 66.09 7.63 11.75 21.04 111.96 -107.65 -65.93 145.44 95.04 0.89 4.07 88.22 4.35 2.80 1.29 2.41 0.00 0.42 0.52 92 I H G 118.64 4.44 11.98 18.08 99.49 -122.57 -69.82 -23.16 48.66 1.10 50.24 20.17 7.66 19.65 4.52 47.05 0.00 0.62 0.34 93 S H G 84.14 2.61 13.12 16.75 99.61 55.50 -81.13 6.20 45.60 1.48 52.92 16.61 7.50 21.35 5.00 48.24 0.00 0.91 0.40 94 L C G 86.92 8.82 10.54 20.25 102.88 112.28 -83.73 11.12 50.57 2.54 46.88 30.94 9.22 10.21 4.50 42.99 0.00 1.46 0.69 95 H C C 121.78 5.43 13.02 19.87 109.18 84.51 -96.06 84.04 82.96 5.61 11.43 54.65 18.43 9.37 4.31 7.05 0.01 2.48 3.71 96 G C C 33.49 6.58 13.58 21.42 130.46 24.65 115.55 175.58 97.01 2.40 0.59 52.04 42.73 2.52 0.19 0.36 0.00 1.20 0.96 97 P C C 83.54 5.56 13.36 20.25 112.50 -51.41 -69.37 148.83 97.04 1.64 1.33 71.51 22.03 3.56 0.56 0.67 0.00 0.75 0.92 98 K C C 114.84 6.17 11.96 19.64 114.79 -113.10 -79.03 140.73 93.95 1.00 5.06 80.92 10.71 2.32 3.87 1.12 0.00 0.39 0.68 99 P C C 85.98 5.46 11.60 18.64 99.57 -112.86 -64.43 -32.82 58.18 1.10 40.72 42.83 6.17 9.79 29.54 10.56 0.00 0.59 0.52 100 E H H 127.82 2.69 12.89 16.52 99.29 56.40 -73.90 -28.34 45.74 1.54 52.72 28.70 7.09 10.33 38.36 14.04 0.02 0.90 0.56 101 A H H 54.95 5.87 10.84 18.26 99.84 59.55 -74.68 -29.65 39.83 2.20 57.97 25.94 6.40 8.14 42.22 15.23 0.02 1.36 0.69 102 V H H 82.43 5.97 9.74 17.12 101.09 58.24 -77.37 -23.75 40.36 2.48 57.16 26.84 6.76 7.89 44.29 11.90 0.02 1.51 0.77 103 E C H 135.46 2.38 10.71 14.35 99.87 57.46 -77.27 -18.66 50.07 2.76 47.17 30.07 8.24 12.77 37.59 8.65 0.04 1.57 1.07 104 A C C 81.11 2.46 8.85 12.78 103.21 68.40 -83.90 6.15 66.73 1.44 31.82 48.94 2.29 16.00 26.15 5.10 0.00 0.79 0.74 105 E C C 131.45 3.38 10.59 15.59 104.15 65.26 -82.06 34.54 99.81 0.05 0.14 99.54 0.14 0.19 0.09 0.01 0.00 0.03 0.01