# 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 K C C 121.83 5.48 15.31 21.98 111.05 -152.12 -86.08 132.06 99.60 0.10 0.30 99.38 0.16 0.14 0.24 0.01 0.00 0.04 0.03 1 T C C 70.96 7.12 12.65 20.78 109.43 -125.01 -78.51 144.47 50.05 1.14 48.82 45.60 1.29 4.24 45.57 2.31 0.00 0.61 0.38 2 R H H 128.59 7.60 12.56 21.16 96.44 45.64 -66.71 -35.60 30.13 1.10 68.76 21.00 4.67 6.53 62.31 4.50 0.01 0.63 0.35 3 A H H 59.51 4.35 14.15 19.79 93.98 55.98 -66.37 -38.34 22.40 0.97 76.63 14.26 3.94 6.07 68.65 6.18 0.02 0.61 0.28 4 K H H 112.81 4.31 16.64 21.75 94.05 51.86 -68.02 -36.31 21.35 1.01 77.64 13.20 3.93 6.05 70.03 5.83 0.02 0.62 0.30 5 A H H 31.27 12.86 12.85 26.42 95.08 55.88 -69.28 -35.42 26.49 1.08 72.44 16.74 4.86 6.80 66.26 4.37 0.02 0.59 0.36 6 K H H 112.17 6.80 17.50 25.01 96.47 56.14 -71.29 -32.82 33.88 1.57 64.55 21.73 6.01 7.77 59.62 3.50 0.02 0.86 0.50 7 T H H 70.89 5.60 17.51 23.71 100.78 58.27 -76.28 -30.90 40.12 2.30 57.58 26.80 6.34 8.26 52.86 3.71 0.02 1.33 0.69 8 R H H 103.14 10.22 16.42 26.95 98.49 60.80 -74.01 -29.83 38.59 3.34 58.08 24.87 7.29 8.52 51.98 4.34 0.05 1.97 0.99 9 S H H 34.55 13.91 13.43 27.33 98.40 62.65 -73.14 -33.35 42.68 3.92 53.40 28.12 6.92 9.63 46.51 5.19 0.04 2.42 1.18 10 S H H 69.28 5.61 16.14 22.68 96.63 59.76 -70.67 -29.99 44.89 3.92 51.19 26.49 8.11 12.31 41.76 7.60 0.08 2.39 1.27 11 R H H 146.61 4.58 16.25 21.87 94.59 60.97 -72.78 -21.99 46.80 4.25 48.96 17.57 10.75 20.68 36.89 9.61 0.35 2.47 1.67 12 A C T 40.25 13.25 14.06 27.41 96.70 53.03 -85.48 0.58 68.14 1.45 30.42 10.43 11.82 44.76 21.61 9.61 0.10 0.76 0.91 13 G C T 47.72 4.50 20.09 25.11 97.64 -106.60 83.46 8.10 89.50 1.53 8.96 19.90 16.63 53.52 4.02 4.40 0.01 0.91 0.61 14 L C C 29.14 19.53 12.22 31.25 115.37 130.07 -92.90 129.90 84.32 10.45 5.23 66.83 10.78 6.05 2.67 2.67 0.00 6.45 4.55 15 Q C C 110.73 6.05 22.01 28.70 111.66 -163.58 -102.10 110.85 83.23 12.64 4.13 58.92 19.77 4.30 2.91 1.58 0.01 7.75 4.77 16 F C C 34.26 19.95 14.99 34.29 120.60 147.80 -104.83 133.45 89.92 7.66 2.41 57.79 31.32 1.45 2.36 0.50 0.00 4.70 1.88 17 P C C 50.82 8.57 23.60 32.63 110.92 -111.06 -67.89 138.76 90.90 5.28 3.81 87.21 2.43 1.38 3.47 0.58 0.00 3.15 1.78 18 V H H 35.40 20.47 16.28 35.59 94.12 -125.02 -61.50 -37.13 21.13 0.41 78.47 6.75 3.38 11.85 74.47 3.07 0.07 0.20 0.21 19 G H H 30.76 7.03 21.80 29.49 92.71 56.60 -61.73 -38.86 14.36 0.23 85.41 3.22 1.99 9.47 82.33 2.70 0.06 0.12 0.10 20 R H H 97.16 8.29 23.11 31.49 92.30 51.75 -67.48 -38.57 5.11 0.18 94.71 2.30 0.84 2.35 92.16 2.18 0.01 0.12 0.04 21 V H H 3.70 24.79 17.34 42.30 91.67 51.87 -63.34 -43.59 1.92 0.10 97.99 0.83 0.29 0.92 97.02 0.85 0.01 0.07 0.01 22 H H H 51.48 15.41 21.01 35.85 91.48 51.06 -62.76 -42.07 1.44 0.07 98.50 0.52 0.19 0.76 97.77 0.69 0.01 0.05 0.01 23 R H H 121.02 2.92 24.58 26.61 91.53 50.75 -63.99 -42.17 1.69 0.06 98.25 0.45 0.21 1.03 97.51 0.72 0.01 0.04 0.01 24 L H H 24.64 13.22 18.87 33.26 92.00 49.78 -64.67 -41.90 2.25 0.09 97.66 0.59 0.31 1.41 96.67 0.91 0.02 0.06 0.02 25 L H H 13.04 21.83 14.11 35.62 92.16 50.20 -65.80 -39.01 4.45 0.12 95.43 0.94 0.51 3.07 93.73 1.61 0.04 0.07 0.03 26 R H H 140.66 5.61 18.14 24.88 92.03 52.32 -67.81 -32.14 13.40 0.15 86.45 1.30 1.18 11.02 84.69 1.58 0.08 0.07 0.07 27 K C T 140.57 2.11 17.75 19.59 95.43 48.74 -85.39 -9.62 56.20 0.27 43.53 2.22 4.51 47.92 43.11 1.89 0.06 0.10 0.19 28 G C T 36.66 9.23 14.61 24.38 107.42 -84.59 81.72 16.43 91.29 0.33 8.38 6.74 14.81 69.56 6.89 1.61 0.00 0.14 0.24 29 N C C 82.03 6.33 17.75 24.99 101.21 -127.54 -86.42 62.34 83.00 1.05 15.95 47.94 18.09 16.92 12.32 3.61 0.00 0.41 0.72 30 Y H H 36.01 18.25 13.79 31.85 95.07 141.32 -73.09 -29.26 34.29 1.22 64.50 18.20 6.81 11.62 52.44 9.61 0.09 0.60 0.62 31 A H H 32.05 15.09 13.85 29.02 92.20 69.38 -63.08 -33.92 14.90 0.48 84.62 4.25 2.50 8.10 67.87 16.73 0.08 0.30 0.16 32 E H H 146.25 1.45 19.75 20.33 92.73 52.60 -70.50 -29.91 12.57 0.36 87.08 2.27 1.80 8.05 70.28 17.14 0.11 0.23 0.11 33 R H H 123.42 7.07 17.65 25.37 97.17 47.54 -81.37 -31.93 16.90 0.36 82.74 2.33 2.79 11.88 70.66 11.76 0.22 0.18 0.18 34 V H H 32.34 17.95 12.26 29.35 103.31 36.15 -102.24 -13.80 34.88 2.07 63.05 8.35 13.82 16.88 54.71 3.54 0.44 0.65 1.60 35 G C C 34.64 4.58 19.16 24.58 123.40 -129.33 83.53 -168.61 59.86 1.11 39.03 35.92 6.91 14.86 6.44 34.69 0.00 0.56 0.62 36 A C T 81.69 4.96 17.02 23.30 94.97 -37.11 -67.96 -16.31 52.46 0.28 47.26 1.74 4.59 45.12 4.98 43.16 0.01 0.15 0.25 37 G H G 29.95 10.54 19.08 30.03 94.17 54.31 -76.37 -7.75 47.63 0.18 52.19 4.05 3.78 38.36 9.34 44.21 0.01 0.10 0.17 38 A H H 10.36 19.64 17.64 37.69 92.87 100.05 -61.07 -41.66 5.13 0.02 94.85 3.26 0.95 1.16 93.80 0.81 0.00 0.00 0.01 39 P H H 25.68 19.40 21.28 39.66 91.82 52.91 -63.75 -39.82 1.05 0.00 98.95 0.25 0.09 0.57 98.63 0.45 0.00 0.00 0.00 40 V H H 61.65 9.49 26.34 35.99 91.98 50.25 -64.82 -41.85 0.22 0.00 99.78 0.04 0.02 0.12 99.59 0.24 0.00 0.00 0.00 41 Y H H 59.31 14.63 25.89 40.08 91.90 49.26 -64.74 -42.66 0.10 0.00 99.90 0.02 0.01 0.05 99.86 0.06 0.00 0.00 0.00 42 L H H 5.46 24.80 23.78 47.91 91.57 49.77 -64.46 -42.96 0.11 0.00 99.89 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 43 A H H 16.88 17.51 24.67 41.76 91.25 51.61 -62.79 -42.08 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 44 A H H 34.81 8.41 27.04 36.46 91.37 50.67 -63.79 -42.18 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 45 V H H 12.98 19.93 24.30 43.71 91.45 49.80 -64.52 -42.87 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 46 L H H 7.03 24.27 22.56 46.22 91.32 50.84 -63.54 -42.11 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 47 E H H 80.20 11.13 25.58 36.54 91.44 51.43 -63.03 -41.41 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 48 Y H H 85.29 9.67 25.96 35.89 91.84 49.07 -65.02 -41.58 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 49 L H H 9.77 21.92 22.23 43.62 91.40 49.19 -65.32 -42.23 0.23 0.00 99.77 0.02 0.01 0.16 99.79 0.03 0.00 0.00 0.00 50 T H H 19.95 19.70 22.42 41.11 91.65 51.53 -63.37 -41.90 0.40 0.00 99.60 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 51 A H H 42.20 6.92 24.89 32.33 91.48 51.73 -63.93 -41.64 0.32 0.00 99.67 0.03 0.01 0.21 99.66 0.08 0.00 0.00 0.00 52 E H H 63.78 10.53 24.65 35.33 91.70 49.59 -65.45 -41.31 0.46 0.00 99.54 0.05 0.02 0.31 99.49 0.12 0.00 0.00 0.00 53 I H H 5.85 24.29 19.97 44.17 91.32 50.13 -64.20 -43.24 0.51 0.00 99.49 0.08 0.03 0.32 99.40 0.16 0.00 0.00 0.00 54 L H H 46.38 15.31 22.30 36.94 91.50 50.59 -63.17 -41.65 0.92 0.01 99.07 0.15 0.07 0.59 98.83 0.35 0.00 0.01 0.00 55 E H H 111.53 3.39 25.99 29.25 91.61 50.21 -64.47 -40.56 3.45 0.03 96.52 0.43 0.23 2.61 95.94 0.76 0.01 0.01 0.01 56 L H H 32.62 14.80 21.18 36.03 92.21 48.73 -67.04 -38.89 8.18 0.07 91.75 1.05 0.73 6.22 90.89 1.03 0.02 0.04 0.02 57 A H H 12.65 20.21 17.66 37.35 92.91 51.78 -68.42 -34.05 20.93 0.38 78.69 4.37 3.01 13.88 76.22 2.08 0.08 0.17 0.19 58 G H H 30.50 9.88 20.79 30.59 98.86 58.58 -54.02 -42.81 40.26 0.96 58.78 10.04 6.23 25.19 52.15 5.31 0.12 0.49 0.46 59 N H H 95.77 4.79 21.42 26.24 97.44 37.67 -79.12 -17.89 42.40 2.16 55.44 13.45 8.55 21.98 44.70 8.98 0.18 1.42 0.75 60 A H H 33.65 11.49 16.09 28.46 97.44 66.20 -75.00 -22.75 41.42 5.99 52.59 18.96 8.39 16.11 40.75 9.89 0.20 4.35 1.36 61 A C H 32.81 13.28 13.00 26.70 102.23 68.64 -79.18 3.46 46.83 9.09 44.08 26.70 8.31 13.77 34.29 8.19 0.15 6.50 2.10 62 R C H 143.07 4.67 14.70 20.57 103.77 92.58 -82.18 0.96 54.65 9.17 36.18 26.06 11.47 18.55 28.67 6.40 0.38 5.99 2.48 63 D C T 104.66 3.13 13.62 17.68 102.78 46.05 -85.43 29.22 71.54 3.26 25.20 25.52 16.33 30.17 19.20 5.64 0.07 1.90 1.17 64 N C T 95.34 5.92 11.50 18.75 103.74 63.34 -82.99 49.30 81.46 1.22 17.32 29.44 18.99 33.45 11.05 5.82 0.01 0.56 0.66 65 K C C 140.90 4.03 12.90 18.29 98.68 130.28 -76.10 3.01 76.61 2.08 21.31 31.09 20.66 25.35 12.92 7.93 0.02 1.02 1.01 66 K C C 118.20 6.19 14.12 21.46 106.17 86.26 -88.80 58.36 69.25 5.85 24.91 36.36 17.13 16.13 15.82 8.97 0.06 3.60 1.94 67 T C C 63.16 11.09 14.51 26.01 109.11 111.06 -93.17 87.49 65.58 10.06 24.36 42.78 12.70 9.91 16.22 8.64 0.04 7.40 2.30 68 R C C 111.75 9.52 20.12 29.62 114.45 86.94 -98.11 130.04 61.27 16.35 22.39 37.56 15.61 8.39 15.62 7.22 0.08 12.34 3.17 69 I C C 24.97 21.08 15.22 35.70 112.36 -131.23 -92.18 117.83 60.91 21.49 17.60 44.03 12.19 4.24 13.95 4.46 0.06 12.42 8.64 70 I C C 52.45 10.73 22.10 33.15 118.58 -153.76 -93.36 146.45 80.35 2.15 17.50 71.58 5.96 1.32 18.78 0.68 0.00 1.15 0.53 71 P H H 50.16 14.67 17.04 31.54 92.94 -115.69 -58.34 -38.56 8.62 0.20 91.18 3.92 1.21 3.77 89.21 1.71 0.01 0.12 0.05 72 R H H 134.91 4.12 22.79 27.19 91.88 53.37 -64.03 -38.88 3.95 0.08 95.97 1.14 0.46 2.34 94.19 1.79 0.01 0.05 0.01 73 H H H 45.08 15.11 20.50 35.33 92.30 49.70 -66.23 -40.73 1.83 0.05 98.12 0.66 0.23 0.95 96.24 1.87 0.00 0.04 0.01 74 L H H 6.82 23.92 18.13 42.00 91.59 50.51 -64.14 -42.43 1.21 0.03 98.76 0.45 0.14 0.60 97.98 0.80 0.00 0.02 0.00 75 Q H H 72.10 10.79 23.59 34.19 91.54 51.55 -63.04 -41.73 1.42 0.04 98.54 0.39 0.14 0.84 98.00 0.59 0.00 0.02 0.01 76 L H H 52.49 6.59 24.16 31.47 91.58 50.37 -63.96 -42.41 1.67 0.05 98.27 0.38 0.19 1.06 97.57 0.75 0.00 0.04 0.01 77 A H H 7.37 17.64 18.34 36.94 91.73 50.69 -64.03 -42.13 2.47 0.08 97.45 0.65 0.28 1.50 96.47 1.03 0.01 0.05 0.01 78 V H H 21.80 18.71 17.52 35.91 92.72 47.71 -67.07 -38.71 5.29 0.10 94.60 0.81 0.52 3.90 92.95 1.70 0.03 0.06 0.03 79 R H H 137.55 5.13 20.70 26.40 92.88 51.17 -69.42 -30.28 15.37 0.08 84.55 0.89 1.14 13.23 83.32 1.29 0.05 0.03 0.04 80 N C H 93.41 5.08 17.99 23.54 100.88 32.43 -101.67 5.46 58.47 0.28 41.26 8.81 7.59 40.35 41.32 1.63 0.03 0.09 0.18 81 D C C 46.48 15.57 10.88 25.80 107.32 117.23 -89.32 100.17 75.19 0.47 24.34 67.23 4.52 2.41 24.32 1.10 0.00 0.13 0.29 82 E H H 134.16 2.17 17.93 20.49 93.62 -156.53 -64.97 -37.68 7.76 0.07 92.17 1.69 1.17 4.87 88.49 3.69 0.02 0.03 0.02 83 E H H 91.24 5.83 18.72 25.33 92.35 51.69 -65.60 -40.12 4.42 0.08 95.51 1.06 0.49 2.89 91.85 3.61 0.01 0.05 0.02 84 L H H 7.24 22.56 12.66 35.32 91.84 50.39 -64.31 -41.91 2.16 0.06 97.78 0.67 0.27 1.21 94.41 3.37 0.01 0.05 0.01 85 N H H 61.89 11.93 16.96 29.25 91.35 53.63 -63.31 -38.20 2.31 0.05 97.64 0.60 0.25 1.41 94.97 2.71 0.01 0.04 0.01 86 K H H 141.08 1.63 21.98 22.44 92.13 52.30 -66.01 -38.43 4.38 0.05 95.57 0.42 0.33 3.66 92.07 3.45 0.02 0.04 0.01 87 L H H 43.44 14.56 17.76 32.20 94.58 45.83 -72.43 -38.63 7.06 0.09 92.85 0.43 0.57 6.27 90.49 2.09 0.06 0.04 0.03 88 L H H 18.47 21.08 14.68 35.11 97.68 37.23 -91.40 -15.48 25.58 1.05 73.37 4.30 4.64 18.20 69.23 2.36 0.25 0.46 0.55 89 G C T 36.85 5.54 20.09 26.47 110.29 -145.09 71.06 -129.54 76.76 3.76 19.48 20.60 15.00 40.98 13.61 6.11 0.06 2.53 1.11 90 R C T 149.40 4.46 20.49 25.63 116.37 -5.09 -102.15 132.57 67.62 13.64 18.74 24.64 15.17 29.02 10.57 7.58 0.14 11.17 1.71 91 V C C 31.45 20.57 12.48 32.03 119.95 -168.49 -108.53 132.11 62.80 23.98 13.22 52.24 6.51 3.13 9.73 4.03 0.03 22.00 2.35 92 T E E 69.09 6.88 22.88 30.09 118.21 -164.55 -107.77 131.87 42.55 45.73 11.71 36.19 3.10 2.06 9.30 3.06 0.02 41.99 4.28 93 I E E 47.27 18.44 14.70 32.06 112.84 -153.87 -95.18 112.75 35.58 46.27 18.15 27.41 4.51 3.55 13.20 5.91 0.08 41.36 3.99 94 A C E 49.88 10.15 16.23 26.73 104.12 103.91 -79.80 -23.33 41.66 29.84 28.50 26.01 7.80 10.19 11.00 15.95 0.11 26.50 2.44 95 Q C T 129.04 3.90 17.56 22.06 102.67 21.05 -85.02 31.84 50.66 18.16 31.18 14.55 11.60 27.66 8.10 20.54 0.35 14.45 2.75 96 G C T 41.36 8.11 17.09 25.48 106.00 -27.63 84.51 4.07 70.28 5.32 24.39 14.01 15.68 41.62 4.96 18.38 0.06 3.69 1.60 97 G C C 26.01 13.01 17.12 29.86 118.56 -90.36 93.81 30.39 76.62 15.39 7.99 28.50 23.32 26.74 2.11 5.27 0.04 11.54 2.50 98 V C C 48.12 15.10 17.21 32.18 121.18 -97.08 -106.99 137.05 57.32 38.23 4.45 37.80 14.70 4.04 2.91 2.12 0.12 20.66 17.66 99 L C C 34.55 16.34 15.38 32.06 111.78 -123.19 -85.54 126.56 81.20 14.72 4.08 68.13 10.23 2.44 2.63 1.69 0.00 11.53 3.34 100 P C T 76.19 7.37 17.52 25.78 101.12 -122.45 -63.05 -29.25 67.39 6.40 26.22 15.27 9.27 42.51 14.22 12.11 0.14 5.00 1.48 101 N C T 105.78 4.73 19.00 24.38 95.52 39.79 -63.72 2.58 66.16 4.78 29.06 13.88 9.22 42.50 16.51 12.85 0.17 3.50 1.37 102 I C C 27.42 19.89 13.24 32.18 99.32 80.03 -90.07 -10.49 49.05 11.42 39.53 31.78 8.68 8.91 23.66 16.12 0.10 7.74 3.02 103 Q H H 83.79 12.75 16.66 29.07 94.66 84.42 -64.61 -36.14 31.70 10.69 57.60 19.99 5.44 7.56 30.51 26.35 0.08 8.55 1.52 104 S H G 63.56 6.42 18.57 25.73 94.33 59.82 -70.36 -22.43 24.31 9.74 65.95 11.73 4.86 8.87 29.01 36.10 0.16 8.24 1.04 105 V H G 56.60 12.71 17.52 30.10 97.59 55.37 -82.04 -21.74 27.59 11.96 60.45 11.72 5.66 11.11 27.63 32.33 0.31 9.83 1.42 106 L H G 42.38 17.71 16.04 32.63 100.17 54.11 -89.77 -11.56 38.02 16.91 45.07 16.20 10.06 14.28 21.00 22.05 1.15 11.46 3.80 107 L C S 58.45 13.35 15.34 29.06 116.16 93.61 -95.38 128.34 90.68 7.72 1.60 35.27 54.59 1.74 1.02 0.56 0.00 5.13 1.68 108 P C C 60.11 10.21 13.27 24.56 114.36 -116.37 -67.98 149.00 85.94 8.92 5.13 74.99 6.63 4.14 2.45 2.51 0.00 6.61 2.67 109 K C C 139.63 4.16 12.89 18.85 111.53 -111.46 -77.40 136.26 81.96 6.52 11.53 54.06 17.12 10.87 4.05 7.32 0.00 3.88 2.68 110 K C C 132.53 4.98 9.97 16.72 112.27 -116.23 -85.43 132.27 83.44 5.39 11.16 49.88 20.50 13.53 3.14 7.73 0.00 3.40 1.81 111 T C C 91.79 4.58 8.76 15.08 110.94 -150.91 -96.67 119.02 88.94 3.08 7.97 77.54 3.49 8.79 2.44 4.61 0.00 2.07 1.07 112 E C C 147.72 2.16 12.06 15.38 105.64 -126.94 -84.57 79.40 99.79 0.12 0.09 99.47 0.22 0.18 0.03 0.01 0.00 0.07 0.02