# 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 60.41 6.95 13.67 21.53 107.56 -133.33 -79.18 127.33 99.29 0.10 0.60 99.00 0.18 0.25 0.47 0.03 0.00 0.05 0.03 1 R C C 151.32 4.14 12.07 17.72 102.58 11.38 -77.53 -11.99 58.81 1.80 39.39 50.96 2.01 6.56 34.40 4.34 0.00 0.95 0.77 2 A C C 63.72 6.15 10.48 18.02 103.18 57.91 -76.63 0.33 54.33 2.04 43.64 38.21 7.73 8.91 36.40 6.85 0.01 1.17 0.72 3 K H H 134.32 3.75 13.43 18.45 100.91 57.70 -78.99 -14.56 48.42 2.72 48.85 33.19 7.84 8.53 40.15 7.75 0.02 1.61 0.91 4 A C H 56.61 9.04 11.16 21.08 105.96 67.81 -80.07 76.63 49.33 2.36 48.32 34.31 8.40 7.75 41.13 6.29 0.02 1.32 0.79 5 K C C 123.47 5.73 14.18 21.20 105.01 77.84 -85.08 35.10 55.04 2.66 42.30 38.25 9.17 8.01 37.58 4.62 0.02 1.45 0.90 6 T C C 67.73 7.53 14.20 22.87 114.99 71.47 -95.01 143.72 58.68 2.99 38.33 41.40 9.31 7.96 34.17 4.46 0.01 1.67 1.03 7 R C H 120.69 9.25 14.46 24.33 98.91 -126.13 -77.01 -15.99 51.22 2.96 45.81 31.62 10.66 10.46 38.31 6.22 0.05 1.62 1.06 8 S C H 49.29 10.34 13.72 24.72 102.08 66.16 -78.03 -11.26 53.35 3.09 43.56 31.59 10.00 13.01 34.58 7.88 0.05 1.74 1.14 9 S C C 67.47 6.51 15.04 22.55 98.71 59.48 -76.46 -19.71 55.80 3.57 40.62 31.30 11.32 14.40 30.40 9.13 0.07 1.95 1.44 10 R C H 135.52 6.77 15.01 22.71 98.11 65.44 -80.35 -12.93 57.34 4.49 38.16 24.16 14.83 20.19 26.30 9.97 0.21 2.26 2.07 11 A C T 50.16 11.16 14.14 25.67 99.23 64.82 -80.02 5.94 73.01 1.81 25.18 14.31 14.88 43.67 15.27 9.78 0.06 0.95 1.08 12 G C T 45.94 5.76 18.85 25.27 98.97 -101.72 83.58 6.08 87.15 2.10 10.75 23.24 17.94 46.88 3.84 6.05 0.01 1.22 0.83 13 L C C 34.83 18.54 12.11 30.18 114.45 126.30 -90.31 127.98 84.14 9.95 5.91 66.37 10.70 6.58 2.56 3.38 0.00 6.09 4.31 14 Q C C 113.44 5.97 21.18 27.77 108.50 -166.04 -98.15 68.64 83.84 12.55 3.61 56.31 22.79 4.81 2.20 1.60 0.01 7.72 4.56 15 F C C 38.41 18.59 14.92 33.06 120.96 101.24 -108.55 135.15 90.43 8.12 1.45 47.02 43.32 1.25 1.28 0.36 0.00 4.78 2.00 16 P C C 52.86 7.90 23.20 31.59 110.61 -106.99 -67.29 137.91 90.65 6.62 2.73 88.00 2.13 0.94 2.43 0.42 0.00 3.59 2.48 17 V H H 35.01 20.21 15.52 34.86 93.26 -125.43 -60.53 -38.21 8.68 0.11 91.20 2.64 1.33 4.96 89.12 1.81 0.03 0.06 0.05 18 G H H 31.77 6.11 21.65 28.47 91.65 55.80 -61.85 -40.95 5.38 0.07 94.55 1.04 0.65 3.77 92.66 1.80 0.02 0.04 0.02 19 R H H 99.30 7.33 22.82 30.39 92.11 50.81 -66.94 -39.46 2.21 0.07 97.73 0.80 0.32 1.18 96.11 1.52 0.01 0.05 0.01 20 V H H 4.15 24.28 16.74 41.24 91.73 51.31 -63.48 -43.62 1.02 0.04 98.95 0.35 0.14 0.52 98.48 0.47 0.00 0.02 0.00 21 H H H 55.92 14.26 20.75 34.72 91.54 51.12 -62.65 -41.97 1.06 0.03 98.91 0.30 0.12 0.59 98.60 0.37 0.00 0.02 0.00 22 R H H 122.75 2.57 24.03 25.45 91.52 50.55 -63.94 -42.18 1.41 0.03 98.56 0.28 0.16 0.91 98.16 0.45 0.01 0.02 0.00 23 L H H 25.78 12.17 18.17 31.86 92.00 49.71 -64.44 -42.07 1.87 0.06 98.07 0.43 0.25 1.19 97.41 0.65 0.01 0.03 0.01 24 L H H 17.81 20.10 13.67 33.49 92.41 50.13 -65.55 -40.11 3.56 0.08 96.36 0.75 0.38 2.45 94.97 1.35 0.02 0.05 0.02 25 R H H 145.69 4.62 17.45 23.29 92.17 51.82 -66.68 -33.41 10.80 0.10 89.10 0.84 0.82 9.21 87.73 1.26 0.06 0.05 0.05 26 K C T 142.11 1.85 17.02 18.45 94.83 48.13 -85.83 -7.05 59.00 0.15 40.85 1.33 3.37 52.75 40.73 1.60 0.04 0.05 0.12 27 G C T 40.52 7.93 14.30 23.14 101.88 -100.54 82.78 10.35 94.22 0.18 5.60 4.84 11.06 78.28 4.58 1.02 0.00 0.08 0.13 28 N C C 79.26 6.19 16.93 24.23 100.87 129.12 -87.62 47.13 84.40 0.76 14.83 50.86 19.46 13.94 11.55 3.33 0.00 0.28 0.58 29 Y H H 38.57 17.27 13.43 30.69 95.13 131.83 -71.37 -30.12 34.86 1.04 64.10 17.62 6.93 12.43 51.12 10.76 0.10 0.50 0.55 30 A H H 33.17 14.04 13.50 27.94 92.11 65.11 -63.37 -33.51 13.73 0.40 85.87 3.84 2.24 7.45 67.85 18.17 0.07 0.24 0.13 31 E H H 147.48 1.34 19.34 19.70 92.65 53.54 -69.30 -29.05 11.50 0.28 88.22 1.94 1.57 7.41 70.27 18.45 0.09 0.18 0.09 32 R H H 127.27 6.40 17.09 24.23 97.44 48.00 -82.14 -32.08 15.91 0.27 83.82 1.91 2.46 11.46 71.65 12.06 0.20 0.14 0.14 33 V H H 36.24 16.85 11.64 27.75 103.94 36.49 -102.25 -13.70 33.81 2.12 64.06 7.68 14.17 16.07 55.85 3.36 0.52 0.63 1.72 34 G C C 35.52 4.01 18.53 23.30 124.65 -127.38 84.64 -170.29 64.73 1.07 34.19 41.29 7.13 13.86 4.97 31.60 0.00 0.54 0.61 35 A C T 86.97 3.49 16.00 20.76 95.51 -39.46 -65.77 -12.49 57.89 0.25 41.87 1.39 5.17 50.78 3.22 39.10 0.01 0.12 0.21 36 G C T 33.90 8.30 18.18 27.31 94.08 52.98 -75.94 -6.98 53.92 0.14 45.94 4.06 3.98 44.81 7.29 39.65 0.01 0.07 0.13 37 A H H 12.14 18.29 16.05 35.08 92.80 101.40 -61.09 -41.69 3.84 0.01 96.15 2.16 0.63 1.07 95.34 0.79 0.00 0.00 0.00 38 P H H 32.40 17.53 19.58 36.51 91.70 52.93 -63.78 -39.35 0.89 0.00 99.10 0.17 0.06 0.52 98.77 0.47 0.00 0.00 0.00 39 V H H 72.27 6.78 25.03 31.86 91.69 50.26 -64.96 -41.64 0.16 0.00 99.84 0.02 0.01 0.10 99.65 0.23 0.00 0.00 0.00 40 Y H H 74.71 11.69 24.53 36.21 91.82 49.27 -64.57 -42.77 0.08 0.00 99.92 0.01 0.00 0.04 99.88 0.06 0.00 0.00 0.00 41 L H H 10.64 23.03 21.58 43.95 91.54 49.92 -64.30 -42.75 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 42 A H H 22.54 15.13 22.92 38.05 91.35 51.58 -62.81 -42.03 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 43 A H H 42.97 5.89 25.75 32.30 91.45 50.71 -63.69 -42.13 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 44 V H H 20.71 16.92 22.85 39.62 91.63 49.80 -64.41 -43.02 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 45 L H H 14.75 22.02 20.63 42.11 91.45 50.95 -63.73 -41.97 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 46 E H H 89.56 8.87 23.94 32.89 91.39 51.54 -63.17 -41.20 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 47 Y H H 101.28 7.10 24.62 31.86 91.83 49.17 -64.91 -41.66 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 48 L H H 16.78 19.50 20.78 39.96 91.72 49.08 -65.51 -42.05 0.30 0.00 99.70 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 49 T H H 26.54 17.47 20.93 37.82 91.74 51.39 -63.67 -41.84 0.50 0.00 99.50 0.06 0.02 0.32 99.55 0.05 0.00 0.00 0.00 50 A H H 47.26 5.21 23.86 29.36 91.47 51.61 -63.64 -41.70 0.32 0.00 99.68 0.03 0.01 0.20 99.68 0.07 0.00 0.00 0.00 51 E H H 71.20 8.99 23.66 32.92 91.73 49.60 -65.11 -41.23 0.37 0.00 99.63 0.04 0.02 0.24 99.60 0.10 0.00 0.00 0.00 52 I H H 10.84 22.35 18.99 41.18 91.50 50.24 -63.99 -43.02 0.36 0.00 99.64 0.05 0.02 0.22 99.59 0.11 0.00 0.00 0.00 53 L H H 57.23 13.12 21.92 34.68 91.46 50.64 -63.63 -42.09 0.61 0.00 99.38 0.09 0.04 0.39 99.24 0.24 0.00 0.00 0.00 54 E H H 112.94 2.84 25.42 27.72 91.61 50.16 -64.43 -41.09 2.38 0.01 97.60 0.28 0.15 1.76 97.22 0.57 0.00 0.01 0.00 55 L H H 33.73 13.72 20.73 34.82 91.97 48.78 -66.18 -40.64 5.94 0.04 94.01 0.72 0.49 4.47 93.44 0.84 0.01 0.02 0.01 56 A H H 14.22 18.84 17.58 36.28 92.57 51.68 -66.51 -37.52 14.68 0.21 85.12 2.92 1.94 9.83 83.26 1.80 0.06 0.09 0.10 57 G H H 31.06 8.14 21.08 29.55 95.99 54.57 -63.04 -42.46 30.51 0.55 68.94 6.69 4.28 20.20 64.03 4.14 0.11 0.27 0.27 58 N H H 92.30 3.81 22.24 25.70 95.61 39.07 -73.60 -30.50 34.01 1.15 64.85 9.64 6.41 19.46 56.29 6.87 0.17 0.67 0.49 59 A H H 29.31 11.40 16.36 28.82 95.07 56.87 -69.54 -34.44 33.72 3.79 62.49 14.05 6.85 14.97 51.76 8.40 0.21 2.74 1.03 60 A H H 30.70 13.06 13.42 27.08 98.62 57.44 -76.63 -18.28 40.69 7.42 51.89 21.54 7.38 14.21 42.33 7.29 0.17 5.39 1.69 61 R C H 146.89 3.92 15.20 20.26 99.51 68.32 -78.09 -19.84 49.38 8.12 42.50 22.73 10.37 18.26 34.93 5.82 0.37 5.39 2.13 62 D C T 103.76 2.90 13.53 17.31 101.93 46.15 -87.76 8.50 68.24 3.57 28.19 24.51 15.67 28.44 23.18 4.80 0.09 2.10 1.21 63 N C C 91.69 6.02 10.79 18.24 106.21 72.61 -93.90 65.88 83.01 1.38 15.61 33.17 18.55 31.69 10.31 4.91 0.01 0.65 0.71 64 K C C 149.19 3.05 12.39 16.77 99.07 -146.71 -75.53 2.81 81.18 1.55 17.27 32.19 21.31 28.20 9.65 7.07 0.01 0.72 0.84 65 K C C 121.15 5.24 12.92 19.60 106.26 95.40 -88.91 39.26 76.51 3.49 20.00 35.11 21.15 20.91 10.86 8.60 0.03 1.94 1.39 66 T C C 75.00 8.74 13.65 23.29 107.56 65.36 -93.56 50.29 73.56 7.74 18.70 43.00 18.31 12.64 10.79 7.90 0.03 5.33 1.99 67 R C C 124.20 6.88 19.17 26.72 118.18 113.59 -99.35 136.44 69.02 15.39 15.58 42.59 18.33 8.37 9.85 6.17 0.05 11.41 3.23 68 I C C 28.09 20.61 13.16 33.34 112.56 -128.90 -89.63 123.03 69.31 21.53 9.16 52.56 12.37 2.88 6.96 2.99 0.02 11.35 10.87 69 I C C 59.91 8.34 21.45 30.40 120.13 -157.84 -95.16 147.94 91.12 1.61 7.27 84.60 5.16 0.69 8.01 0.33 0.00 0.76 0.45 70 P H H 56.63 13.04 15.79 29.18 92.29 -114.96 -57.26 -38.48 7.16 0.09 92.75 2.37 0.94 3.83 91.08 1.70 0.01 0.05 0.03 71 R H H 140.63 3.25 21.73 25.05 91.34 53.89 -63.85 -38.15 3.34 0.04 96.62 0.77 0.34 2.11 94.99 1.73 0.00 0.02 0.01 72 H H H 45.37 14.18 19.21 33.53 92.11 49.85 -66.27 -40.49 1.30 0.02 98.67 0.42 0.15 0.70 96.89 1.83 0.00 0.02 0.00 73 L H H 9.74 22.80 17.23 39.95 91.70 51.05 -63.86 -42.61 0.88 0.01 99.11 0.33 0.09 0.43 98.35 0.77 0.00 0.01 0.00 74 Q H H 76.50 9.70 22.81 32.55 91.40 51.65 -63.08 -41.48 1.11 0.02 98.88 0.25 0.09 0.71 98.22 0.71 0.00 0.01 0.00 75 L H H 57.43 6.02 23.69 30.32 91.59 50.61 -63.82 -42.26 1.47 0.03 98.51 0.27 0.14 1.01 97.42 1.13 0.00 0.02 0.00 76 A H H 8.07 17.54 17.98 36.46 91.91 50.66 -64.07 -41.63 2.70 0.06 97.23 0.59 0.27 1.75 95.75 1.57 0.01 0.04 0.01 77 I H H 26.02 18.37 17.38 35.50 92.73 48.41 -67.01 -38.25 6.84 0.16 93.00 1.11 0.68 5.00 90.64 2.40 0.04 0.10 0.05 78 R H H 140.09 4.70 20.57 25.90 92.54 53.14 -69.46 -30.12 20.53 0.12 79.35 1.44 1.63 17.29 77.88 1.59 0.06 0.05 0.07 79 N C T 89.93 5.59 17.68 23.91 100.19 35.89 -101.14 8.14 66.28 0.27 33.45 11.69 7.27 45.38 33.54 1.84 0.01 0.09 0.17 80 D C C 43.93 16.31 10.57 26.01 107.69 118.51 -84.61 105.74 65.03 0.50 34.47 56.75 4.67 2.73 33.99 1.43 0.00 0.15 0.29 81 E H H 137.44 1.77 18.23 19.77 93.41 -158.21 -65.09 -37.87 7.94 0.07 91.99 1.86 1.15 4.88 87.70 4.34 0.02 0.03 0.03 82 E H H 92.39 5.25 18.26 24.30 92.19 51.16 -65.91 -40.14 4.75 0.08 95.17 1.32 0.53 2.92 91.09 4.05 0.01 0.05 0.02 83 L H H 9.05 21.57 11.96 33.63 91.90 50.94 -64.12 -41.69 2.28 0.07 97.65 0.79 0.30 1.21 94.08 3.55 0.01 0.05 0.01 84 N H H 67.34 10.41 16.41 27.52 91.35 53.33 -63.76 -37.55 2.70 0.06 97.24 0.77 0.29 1.62 94.45 2.81 0.00 0.04 0.01 85 K H H 146.38 1.30 20.41 20.24 92.33 51.75 -66.40 -38.66 5.10 0.06 94.84 0.59 0.42 4.16 91.58 3.17 0.02 0.04 0.02 86 L H H 53.20 12.72 16.51 29.51 95.14 45.13 -73.40 -38.66 7.74 0.10 92.16 0.57 0.72 6.67 90.06 1.83 0.06 0.05 0.04 87 L H H 27.29 19.19 13.55 32.03 98.06 36.71 -93.44 -14.09 26.37 1.29 72.35 4.77 4.98 18.24 68.32 2.17 0.32 0.59 0.62 88 G C T 41.41 4.07 18.40 23.43 107.58 -142.67 70.53 -111.45 75.61 3.42 20.98 19.39 13.19 42.77 15.27 6.03 0.06 2.31 0.97 89 K C T 143.31 3.05 18.64 22.30 113.00 3.80 -98.57 111.75 68.74 11.40 19.85 21.92 14.81 32.64 12.07 7.43 0.14 9.45 1.54 90 V C C 40.26 18.74 10.99 28.72 120.63 148.20 -106.80 133.29 65.01 21.46 13.53 53.24 7.35 3.23 10.30 3.65 0.03 20.22 1.98 91 T C E 77.09 5.11 21.18 27.00 119.59 -164.36 -114.04 134.13 44.29 44.18 11.53 37.87 2.88 1.92 9.71 2.45 0.02 41.47 3.68 92 I E E 57.92 17.17 13.06 29.51 112.77 -149.15 -95.71 121.55 35.34 45.45 19.21 27.07 4.38 3.68 14.18 5.67 0.07 41.75 3.19 93 A C E 54.04 8.79 15.45 25.00 110.56 -140.79 -86.71 139.45 42.00 32.13 25.87 27.15 7.37 8.91 12.02 12.84 0.10 29.49 2.13 94 Q C T 132.01 3.27 16.56 20.77 108.32 -1.96 -86.93 83.72 49.79 23.04 27.16 17.52 11.63 23.86 9.62 15.68 0.34 18.67 2.68 95 G C T 43.28 7.03 15.51 23.30 110.52 -5.11 93.59 7.99 71.71 7.74 20.55 17.62 16.68 38.72 5.65 13.74 0.08 5.73 1.79 96 G C C 31.88 10.12 16.15 26.66 119.94 -16.64 101.28 -173.20 76.83 16.56 6.61 29.20 24.91 24.42 1.73 4.43 0.03 13.00 2.28 97 V C C 60.16 13.02 15.94 29.08 120.47 -85.35 -106.26 135.09 59.06 37.08 3.86 36.89 17.02 4.82 2.28 2.11 0.13 22.12 14.64 98 L C C 47.74 14.40 13.60 28.50 111.94 -128.63 -92.97 121.35 78.92 17.56 3.51 63.07 12.10 3.16 1.96 1.76 0.00 14.66 3.28 99 P C T 80.64 6.54 15.71 23.36 103.87 -131.55 -65.66 -9.84 79.77 7.87 12.36 23.93 12.66 43.75 6.20 5.60 0.03 6.49 1.34 100 N C T 119.91 2.67 16.75 19.89 98.69 39.39 -84.06 21.42 77.53 7.38 15.08 21.96 12.98 43.33 7.78 6.65 0.05 5.84 1.39 101 I C C 51.53 16.60 8.64 24.20 113.88 136.63 -92.46 127.54 63.53 16.55 19.92 49.47 8.02 5.71 12.83 7.46 0.04 13.46 3.01 102 Q C C 125.50 3.04 15.64 19.75 111.34 -165.56 -95.53 120.01 52.90 21.97 25.13 39.93 6.65 5.82 16.80 8.41 0.05 20.26 2.10 103 A C C 57.87 9.03 11.79 21.76 117.92 -125.73 -102.20 136.03 42.32 27.47 30.21 29.13 7.17 6.65 16.72 12.09 0.08 26.52 1.65 104 V C E 80.90 8.49 11.45 21.09 115.38 -153.35 -100.19 125.75 36.63 32.84 30.53 26.48 4.98 5.64 17.52 11.52 0.05 32.08 1.73 105 L C C 98.56 7.03 11.70 20.12 111.29 -154.53 -92.53 122.15 44.34 30.58 25.08 36.56 2.12 5.38 16.81 7.34 0.03 28.37 3.38 106 L C C 90.76 9.14 13.82 23.61 112.08 -153.70 -95.75 116.99 97.17 2.23 0.60 96.83 0.25 0.29 0.47 0.05 0.00 1.99 0.11