# 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 48.06 10.29 15.26 25.90 104.31 -144.42 -76.67 18.64 98.98 0.17 0.86 98.60 0.23 0.31 0.70 0.04 0.00 0.08 0.04 1 R C H 137.94 6.19 13.79 21.07 97.38 50.39 -70.41 -30.74 49.71 2.22 48.07 42.37 2.19 6.24 42.93 4.18 0.00 1.25 0.83 2 A H H 60.90 5.83 12.53 19.70 97.42 55.01 -70.72 -34.72 40.29 2.17 57.54 27.05 6.71 8.36 48.67 7.21 0.02 1.34 0.63 3 K H H 123.04 4.71 15.23 20.99 97.34 52.19 -72.18 -29.54 35.86 2.30 61.84 23.52 6.29 8.08 51.96 8.00 0.03 1.46 0.66 4 A H H 43.46 11.80 12.19 24.41 100.19 59.86 -74.42 -17.45 36.10 1.90 61.99 24.33 6.52 7.31 53.45 6.67 0.02 1.12 0.58 5 K H H 119.99 6.32 16.15 23.41 101.46 66.95 -80.88 -8.35 42.02 2.40 55.58 28.61 7.32 7.68 49.68 4.61 0.02 1.38 0.70 6 T H H 66.44 8.01 15.56 24.51 108.94 72.46 -92.70 91.80 45.97 3.42 50.62 31.82 7.28 8.09 45.22 4.52 0.02 2.10 0.95 7 R H H 111.13 10.18 15.84 26.37 107.35 61.75 -86.80 84.20 42.29 5.05 52.66 27.64 8.14 8.69 45.82 5.10 0.06 3.18 1.37 8 S H H 38.17 13.00 13.43 26.65 108.95 64.09 -82.41 129.86 45.71 6.51 47.79 30.34 7.54 9.54 40.61 5.82 0.06 4.39 1.70 9 S C H 68.75 6.48 15.66 23.02 99.21 55.99 -78.29 -20.88 48.27 6.86 44.88 29.48 8.71 11.77 35.95 7.49 0.10 4.62 1.87 10 R C H 144.02 5.33 15.58 22.02 96.76 69.41 -74.63 -17.31 48.55 7.58 43.87 19.59 11.70 19.51 32.03 9.34 0.51 4.74 2.58 11 A C T 44.80 12.36 14.05 26.55 97.80 49.91 -83.64 3.73 71.69 1.84 26.47 10.41 12.19 47.85 17.92 9.45 0.10 1.03 1.06 12 G C T 48.49 4.33 19.56 24.42 97.00 -101.82 83.85 6.24 89.49 1.57 8.94 16.83 16.71 56.40 3.74 4.76 0.00 0.97 0.60 13 L C C 28.57 19.54 11.86 30.85 116.17 128.03 -93.82 130.88 81.69 12.96 5.35 61.50 12.41 7.05 2.65 2.88 0.01 8.14 5.35 14 Q C C 112.35 5.65 21.86 28.12 110.12 -160.36 -99.08 93.98 81.34 15.03 3.63 55.34 21.48 4.49 2.42 1.54 0.01 9.78 4.94 15 F C C 33.13 19.80 14.80 34.02 120.95 141.36 -108.90 132.39 88.69 9.37 1.93 54.97 33.14 1.37 1.85 0.45 0.00 6.23 1.99 16 P C C 49.40 8.67 23.19 32.38 110.57 -107.65 -67.86 138.71 89.90 6.78 3.31 86.13 2.53 1.33 2.99 0.55 0.00 4.28 2.18 17 V H H 37.93 19.93 16.08 34.91 94.01 -124.10 -61.34 -37.17 20.20 0.44 79.35 6.95 3.30 10.69 75.78 2.79 0.05 0.22 0.21 18 G H H 31.98 6.38 21.75 28.78 92.43 56.81 -62.10 -39.43 13.35 0.27 86.38 3.25 1.89 8.51 83.59 2.47 0.05 0.14 0.11 19 R H H 94.78 8.81 22.69 31.55 92.40 51.82 -67.46 -38.80 4.77 0.16 95.06 2.14 0.75 2.20 92.85 1.90 0.01 0.11 0.04 20 V H H 3.51 25.07 16.84 42.18 91.54 52.57 -63.21 -43.64 1.72 0.08 98.20 0.75 0.25 0.81 97.45 0.67 0.01 0.06 0.01 21 H H H 57.96 14.11 21.20 34.92 91.53 51.22 -62.54 -42.00 1.25 0.05 98.70 0.44 0.16 0.65 98.18 0.51 0.01 0.04 0.01 22 R H H 119.72 2.80 24.28 26.08 91.56 50.45 -64.05 -42.35 1.43 0.06 98.51 0.37 0.18 0.87 98.00 0.53 0.01 0.04 0.01 23 L H H 19.63 14.34 17.91 33.43 91.79 49.65 -64.43 -41.94 1.93 0.08 98.00 0.51 0.26 1.19 97.30 0.67 0.02 0.05 0.01 24 L H H 18.59 21.13 14.25 34.86 92.11 50.70 -65.00 -39.42 3.99 0.11 95.90 0.83 0.42 2.77 94.50 1.36 0.03 0.07 0.03 25 R H H 149.97 4.30 18.36 23.75 92.03 51.78 -67.14 -33.38 12.04 0.11 87.86 0.94 0.94 10.14 86.58 1.24 0.06 0.05 0.05 26 K C H 139.06 1.99 18.01 19.40 95.19 46.83 -88.41 -7.70 51.80 0.22 47.98 1.78 3.83 44.75 47.76 1.58 0.06 0.08 0.15 27 G C T 35.35 10.17 14.06 24.79 105.22 -109.81 84.16 14.41 96.28 0.44 3.28 12.22 16.27 68.04 2.13 0.91 0.00 0.22 0.22 28 N C C 75.05 5.89 18.29 25.10 104.43 131.94 -100.61 79.24 92.11 1.20 6.69 79.76 7.17 5.21 4.82 1.70 0.00 0.52 0.83 29 Y H H 33.72 20.80 11.70 31.86 94.68 155.40 -69.76 -27.01 29.04 1.06 69.90 15.05 5.46 10.19 53.50 14.67 0.07 0.55 0.50 30 S H H 57.25 10.10 15.59 26.45 91.63 67.07 -63.61 -30.02 17.13 0.37 82.50 3.62 2.50 10.24 63.74 19.43 0.10 0.22 0.14 31 E H H 144.45 1.45 19.49 19.85 93.75 51.58 -74.31 -29.38 14.87 0.39 84.74 2.45 2.12 9.52 66.24 19.16 0.15 0.23 0.14 32 R H H 103.64 10.37 16.57 27.13 100.41 42.96 -89.74 -30.41 21.35 0.68 77.98 3.59 4.20 14.23 66.11 10.80 0.40 0.34 0.34 33 V H H 30.63 18.81 12.67 30.41 105.25 33.39 -105.46 -9.75 42.16 4.84 53.00 12.34 16.96 17.19 44.16 3.59 0.72 1.29 3.75 34 G C C 33.04 5.22 19.04 25.22 122.23 -137.80 79.92 -165.96 62.79 1.84 35.37 36.89 8.46 16.17 7.35 29.14 0.00 0.92 1.07 35 A C T 84.94 4.03 17.45 22.64 94.46 -35.76 -67.31 -13.26 59.38 0.31 40.31 1.76 5.29 52.29 5.49 34.72 0.01 0.16 0.29 36 G C T 29.53 10.65 18.84 29.93 93.91 54.58 -75.89 -8.04 54.31 0.20 45.49 3.90 4.12 45.44 10.73 35.51 0.01 0.10 0.18 37 A H H 9.56 20.29 17.02 37.72 92.67 102.46 -61.04 -41.74 5.25 0.02 94.73 3.38 0.91 1.22 93.65 0.82 0.00 0.00 0.01 38 P H H 29.58 18.49 21.41 38.89 91.80 52.78 -63.62 -39.86 1.19 0.01 98.81 0.32 0.10 0.63 98.43 0.52 0.00 0.00 0.00 39 V H H 63.24 9.09 26.19 35.43 91.85 50.18 -65.14 -41.79 0.24 0.00 99.76 0.05 0.02 0.12 99.55 0.26 0.00 0.00 0.00 40 Y H H 57.12 15.21 25.48 40.08 91.79 49.33 -64.77 -42.51 0.12 0.00 99.88 0.02 0.01 0.06 99.84 0.07 0.00 0.00 0.00 41 L H H 5.76 24.74 23.61 47.70 91.63 49.87 -64.11 -42.75 0.12 0.00 99.88 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 42 A H H 18.40 16.89 24.74 41.27 91.29 51.33 -62.87 -41.93 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 43 A H H 33.91 8.66 26.82 36.47 91.39 50.71 -63.82 -42.05 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 44 V H H 12.76 20.20 24.23 43.91 91.48 49.81 -64.34 -42.86 0.08 0.00 99.92 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 45 L H H 7.46 24.09 22.69 46.11 91.38 50.77 -63.64 -42.16 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 46 E H H 80.94 11.05 25.68 36.58 91.44 51.46 -63.14 -41.47 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 47 Y H H 82.59 10.00 25.92 36.09 91.80 49.22 -65.09 -41.69 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 48 L H H 10.20 21.72 22.43 43.62 91.29 49.24 -65.24 -42.37 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 49 T H H 18.81 19.76 22.47 41.27 91.60 51.24 -63.48 -41.80 0.38 0.00 99.62 0.04 0.02 0.25 99.64 0.05 0.00 0.00 0.00 50 A H H 40.74 7.29 24.87 32.73 91.50 51.70 -63.86 -41.65 0.31 0.00 99.69 0.03 0.01 0.21 99.67 0.08 0.00 0.00 0.00 51 E H H 64.00 10.47 24.78 35.42 91.74 49.57 -65.41 -41.16 0.43 0.00 99.57 0.05 0.02 0.29 99.52 0.12 0.00 0.00 0.00 52 I H H 5.98 23.96 20.15 43.94 91.29 50.23 -64.06 -43.30 0.51 0.00 99.49 0.07 0.03 0.32 99.42 0.15 0.00 0.00 0.00 53 L H H 43.59 15.71 22.17 37.20 91.53 50.58 -63.27 -41.72 0.95 0.01 99.04 0.16 0.07 0.61 98.82 0.34 0.00 0.01 0.00 54 E H H 110.65 3.58 25.90 29.44 91.67 50.34 -64.56 -40.71 3.50 0.03 96.48 0.44 0.24 2.61 95.93 0.75 0.01 0.01 0.00 55 L H H 34.41 14.38 21.39 35.85 92.23 48.59 -66.88 -39.21 8.25 0.08 91.68 1.10 0.75 6.18 90.80 1.09 0.02 0.04 0.03 56 A H H 12.76 20.01 17.86 37.34 92.85 51.99 -67.67 -35.25 20.06 0.39 79.55 4.47 2.89 13.09 76.95 2.16 0.08 0.18 0.19 57 G H H 29.88 9.98 20.70 30.64 96.90 56.42 -58.13 -41.10 38.35 1.06 60.59 9.90 5.82 23.77 54.35 5.02 0.12 0.58 0.46 58 N H H 92.64 4.98 21.51 26.50 97.03 41.82 -78.78 -19.97 41.18 2.55 56.27 13.70 8.22 20.90 46.41 8.03 0.18 1.76 0.79 59 A H H 32.01 11.59 15.97 28.49 96.95 68.19 -75.35 -27.45 39.99 6.75 53.26 18.62 8.12 15.37 42.22 9.06 0.21 4.99 1.42 60 A C H 33.97 12.61 12.97 26.21 101.03 65.28 -80.36 -11.72 44.85 10.53 44.62 25.46 7.96 13.44 35.46 7.60 0.18 7.73 2.19 61 R C H 143.64 4.40 14.27 19.90 102.88 75.69 -80.99 -7.85 51.51 10.77 37.72 24.59 10.67 17.83 30.29 6.22 0.49 7.23 2.69 62 D C T 106.59 2.79 13.31 16.97 101.50 42.10 -83.51 16.75 70.74 3.19 26.07 22.25 16.01 32.82 20.33 5.50 0.09 1.89 1.12 63 N C T 100.74 5.05 11.52 17.97 102.08 23.30 -79.08 39.48 81.49 1.07 17.44 25.36 18.92 37.48 11.72 5.44 0.01 0.50 0.58 64 K C C 140.28 4.13 12.67 18.14 98.48 124.72 -73.58 6.36 76.05 2.36 21.58 30.27 21.29 24.89 13.90 7.36 0.02 1.20 1.05 65 K C C 119.91 5.95 14.08 21.23 108.97 92.72 -89.58 74.65 67.28 7.68 25.04 37.27 16.33 13.98 17.13 7.98 0.07 5.00 2.24 66 T C C 62.54 10.95 14.25 25.69 109.59 111.45 -93.90 97.23 62.50 12.44 25.07 42.53 11.18 8.50 18.16 7.49 0.05 9.66 2.43 67 R C C 111.27 9.59 19.65 29.28 112.81 81.48 -97.17 125.05 58.29 18.01 23.69 37.32 13.51 7.59 17.92 6.36 0.07 14.09 3.13 68 I C C 26.50 20.45 15.29 35.09 112.84 -130.76 -93.25 118.89 57.55 21.63 20.81 41.37 11.96 4.21 17.75 3.89 0.06 13.65 7.10 69 I C C 53.62 10.67 21.70 32.73 117.88 -147.13 -92.47 142.51 75.95 2.98 21.06 65.88 6.75 1.78 22.18 0.93 0.00 1.88 0.60 70 P H H 49.07 14.78 16.79 31.35 93.68 -111.85 -59.26 -38.09 13.17 0.57 86.26 7.17 1.87 4.73 83.45 2.24 0.01 0.41 0.12 71 R H H 136.92 3.97 22.26 26.39 92.02 53.02 -64.07 -39.00 6.51 0.25 93.24 2.33 0.87 3.52 90.45 2.56 0.02 0.20 0.05 72 H H H 52.35 13.83 20.21 33.93 92.37 49.66 -66.46 -40.33 3.45 0.21 96.34 1.52 0.48 1.67 93.37 2.75 0.01 0.19 0.03 73 L H H 7.73 23.44 17.52 40.93 91.84 50.72 -64.07 -42.40 2.16 0.25 97.59 1.00 0.29 1.00 96.09 1.36 0.00 0.24 0.02 74 Q H H 73.22 10.62 22.75 33.27 91.35 51.62 -63.00 -41.56 2.18 0.41 97.41 0.79 0.25 1.19 96.26 1.07 0.01 0.41 0.03 75 L H H 56.76 5.99 23.62 30.17 91.46 50.66 -63.90 -42.04 2.33 0.59 97.09 0.71 0.29 1.38 95.74 1.24 0.01 0.59 0.03 76 A H H 8.96 16.99 17.92 35.92 91.60 50.52 -64.05 -41.80 3.14 0.59 96.27 1.00 0.38 1.82 94.60 1.57 0.01 0.57 0.04 77 I H H 26.81 18.41 17.21 35.24 92.64 48.05 -66.91 -38.59 5.95 0.35 93.70 1.14 0.64 4.18 91.35 2.31 0.04 0.28 0.06 78 R H H 140.26 4.74 20.28 25.62 92.62 52.02 -69.11 -29.80 16.96 0.19 82.85 1.32 1.46 14.14 81.22 1.62 0.07 0.09 0.08 79 N C T 90.74 5.36 17.40 23.31 101.04 35.44 -102.77 9.86 64.38 0.41 35.20 13.12 8.09 41.75 34.68 1.94 0.02 0.15 0.25 80 D C C 48.63 15.56 10.87 25.66 105.60 123.95 -82.30 93.64 59.28 0.56 40.16 50.04 5.54 3.15 39.01 1.77 0.00 0.18 0.30 81 E H H 135.17 1.97 17.97 20.03 93.52 -156.37 -64.83 -38.15 7.05 0.07 92.88 1.54 1.00 4.50 88.54 4.34 0.02 0.03 0.03 82 E H H 90.79 5.69 18.38 24.88 92.45 51.01 -65.70 -40.13 4.13 0.08 95.79 1.07 0.46 2.64 91.67 4.08 0.01 0.05 0.02 83 L H H 8.15 22.15 12.33 34.54 91.87 50.60 -64.53 -42.00 2.21 0.06 97.73 0.70 0.28 1.24 94.22 3.49 0.01 0.05 0.01 84 N H H 64.43 11.43 16.75 28.64 91.27 53.60 -63.44 -37.97 2.96 0.06 96.98 0.74 0.31 1.86 93.91 3.12 0.01 0.04 0.01 85 K H H 142.63 1.54 21.44 21.75 92.21 52.07 -66.25 -38.19 6.00 0.07 93.94 0.55 0.44 5.02 90.03 3.85 0.03 0.04 0.02 86 L H H 47.82 13.81 17.41 31.22 94.73 45.81 -72.78 -38.45 9.00 0.11 90.89 0.58 0.76 7.85 88.29 2.36 0.07 0.06 0.04 87 L H H 21.41 20.49 14.36 34.15 97.83 37.73 -90.63 -15.79 27.59 2.18 70.24 5.56 5.21 18.76 65.37 2.73 0.35 1.07 0.94 88 G C T 37.37 5.15 19.67 25.70 111.49 -144.62 70.61 -139.27 75.30 6.39 18.32 21.21 16.50 37.44 12.90 5.65 0.09 4.81 1.39 89 R C T 151.90 4.27 19.82 24.80 115.84 -11.41 -97.82 118.92 64.13 19.61 16.26 22.97 14.73 27.68 8.93 6.69 0.14 17.19 1.66 90 V C C 34.27 20.10 11.90 30.98 120.06 138.47 -109.37 132.27 55.63 34.05 10.33 45.97 5.80 2.65 7.55 3.11 0.03 32.85 2.04 91 T E E 72.67 6.12 22.29 28.89 118.40 -164.01 -109.55 130.68 34.04 57.30 8.65 28.96 2.64 1.70 7.08 2.26 0.01 53.95 3.40 92 I E E 52.50 17.61 13.97 30.74 114.61 -154.78 -99.05 122.32 31.15 56.02 12.83 25.15 3.49 2.56 9.66 3.93 0.04 52.07 3.10 93 A C E 54.14 9.10 16.09 25.67 105.60 -155.85 -84.72 -2.96 43.69 34.43 21.88 28.03 8.06 9.44 7.90 12.55 0.06 32.09 1.87 94 Q C T 127.25 3.83 17.00 21.59 108.80 2.68 -91.92 85.97 53.41 23.37 23.22 17.32 13.61 26.04 5.72 15.29 0.22 19.37 2.43 95 G C T 42.30 7.44 16.31 24.29 110.36 -24.89 88.75 4.46 72.44 8.87 18.70 18.53 18.98 36.61 3.67 13.78 0.06 6.54 1.83 96 G C C 30.48 11.58 16.53 28.07 116.34 -59.32 104.53 -132.54 77.22 16.19 6.60 31.17 25.77 22.09 1.60 4.56 0.03 12.51 2.27 97 V C C 59.13 13.32 17.03 30.37 120.76 -97.68 -106.79 135.32 62.03 33.82 4.15 39.39 17.54 4.52 2.54 2.17 0.10 20.47 13.27 98 L C C 38.88 16.23 14.58 30.98 111.79 -133.68 -92.58 119.29 79.99 15.92 4.08 65.48 11.27 2.72 2.57 1.80 0.00 12.98 3.18 99 P C T 76.96 7.29 17.47 25.59 100.38 -136.32 -64.92 -16.95 73.17 7.87 18.96 21.35 11.20 40.83 11.04 7.71 0.09 6.32 1.45 100 N C T 105.34 5.03 18.53 24.11 97.40 37.82 -74.81 18.03 69.81 7.51 22.68 19.00 11.25 39.84 13.52 8.90 0.15 5.75 1.59 101 I C C 33.96 19.89 12.08 30.69 104.97 102.47 -90.21 60.85 53.43 16.07 30.51 38.23 8.32 6.74 19.61 11.64 0.07 12.27 3.11 102 Q H C 102.02 8.10 18.92 27.44 99.43 101.73 -73.36 -16.60 38.61 21.24 40.16 27.23 5.79 6.10 23.19 17.10 0.09 18.10 2.40 103 A H G 47.04 11.51 15.96 27.72 100.51 69.04 -76.99 -18.39 28.69 21.97 49.33 18.25 5.77 6.74 20.61 26.73 0.09 20.35 1.47 104 V H G 62.13 12.31 16.51 28.77 105.25 64.44 -87.42 28.67 28.95 25.28 45.77 17.38 6.06 7.73 18.72 25.08 0.12 23.27 1.63 105 L H G 67.19 12.98 16.15 28.85 104.33 77.42 -91.02 9.12 34.91 26.66 38.43 19.57 8.42 10.22 15.43 21.57 0.42 21.03 3.35 106 L C C 61.70 13.37 11.93 25.52 117.12 114.78 -96.68 130.90 79.91 18.76 1.33 43.42 35.99 1.85 0.64 0.70 0.00 14.88 2.52 107 P C C 76.96 6.60 12.66 20.84 112.85 -109.30 -66.66 148.30 89.26 10.04 0.70 86.51 1.34 1.38 0.29 0.27 0.00 8.86 1.34 108 K C C 152.08 3.42 13.83 19.09 108.90 -107.52 -74.66 129.79 99.85 0.12 0.02 99.72 0.12 0.06 0.01 0.00 0.00 0.06 0.01