# 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 G C C 39.02 7.12 15.22 23.35 116.25 -118.10 90.42 -173.00 99.90 0.07 0.04 99.60 0.20 0.13 0.01 0.00 0.00 0.03 0.01 1 S C C 73.53 5.41 13.02 19.79 106.93 -74.66 -86.26 92.78 82.41 2.44 15.15 74.03 2.15 7.93 6.73 6.50 0.00 1.38 1.27 2 H C C 124.14 5.67 12.41 19.48 102.43 73.13 -83.37 -6.41 71.58 6.38 22.04 40.08 15.09 17.22 8.92 12.39 0.04 3.54 2.71 3 M C C 100.33 9.18 12.38 22.11 104.57 68.00 -88.23 11.76 66.55 8.43 25.02 35.99 14.43 17.12 9.74 14.48 0.08 4.85 3.32 4 S C C 63.73 7.35 14.55 22.90 109.19 103.85 -90.27 77.27 72.99 7.07 19.94 35.35 15.57 23.40 8.34 10.46 0.05 3.91 2.92 5 G C C 41.37 8.07 14.07 23.01 108.72 -96.28 79.30 3.26 83.34 4.84 11.82 37.30 20.75 26.41 3.68 7.26 0.01 2.53 2.05 6 R C C 141.60 6.11 15.57 22.82 107.31 103.22 -92.01 49.49 82.24 7.77 9.98 44.23 18.97 19.69 3.14 6.34 0.02 4.02 3.59 7 G C C 33.52 10.15 12.95 23.67 119.70 -133.95 88.03 166.28 86.47 6.63 6.90 46.51 20.39 19.84 1.62 5.28 0.01 3.40 2.96 8 K C C 146.16 3.68 15.57 20.57 107.67 -77.46 -87.01 110.23 84.94 7.00 8.05 38.84 19.92 26.91 1.78 5.97 0.01 3.65 2.92 9 G C C 49.57 4.99 14.70 20.95 107.71 12.15 84.17 -0.80 87.68 4.93 7.38 32.83 23.65 31.72 1.35 5.88 0.01 2.56 2.01 10 G C C 36.81 9.56 12.41 22.61 117.48 -86.17 59.61 170.62 86.27 6.07 7.66 43.95 23.73 18.64 1.49 6.38 0.01 3.07 2.73 11 K C C 142.87 3.72 15.62 20.64 110.43 -110.28 -93.48 110.49 82.49 8.71 8.80 41.96 20.46 20.60 2.05 6.64 0.02 4.54 3.73 12 G C C 41.10 7.74 13.69 22.28 114.28 -59.15 71.86 -134.47 84.64 7.07 8.30 40.94 21.62 22.61 1.87 6.32 0.01 3.75 2.90 13 L C C 95.19 8.80 13.24 22.68 107.77 -56.23 -87.91 60.10 82.41 8.25 9.34 38.02 21.69 23.62 2.81 6.04 0.03 4.25 3.54 14 G C C 40.41 6.31 13.75 21.26 116.35 0.83 90.98 -160.37 84.58 6.06 9.36 36.35 26.17 22.94 3.17 5.58 0.02 3.03 2.73 15 K C C 150.26 2.94 14.31 18.45 106.83 -57.23 -79.72 82.76 77.15 4.60 18.26 28.81 22.10 27.43 9.00 8.10 0.05 2.19 2.30 16 G C T 49.19 4.13 14.56 19.68 104.55 12.37 64.40 -14.65 74.98 2.30 22.72 22.30 20.21 33.51 13.00 8.55 0.05 1.08 1.29 17 G C C 35.42 8.17 14.07 23.16 107.58 3.71 12.09 -53.40 63.44 2.02 34.54 28.54 17.03 19.39 23.45 9.52 0.05 0.86 1.15 18 A H H 47.25 10.68 12.96 24.25 107.08 49.28 -78.20 114.98 46.12 2.92 50.96 26.65 10.69 10.99 40.02 8.93 0.07 1.55 1.11 19 K H H 122.28 4.68 16.33 22.05 103.35 50.70 -75.85 -14.62 36.96 4.02 59.02 23.86 7.09 8.42 48.79 8.05 0.06 2.59 1.15 20 R H H 125.51 6.14 16.54 23.63 100.59 51.53 -73.01 -31.23 30.16 3.59 66.25 20.51 5.35 6.72 57.56 6.46 0.04 2.49 0.88 21 H H H 67.52 14.04 14.80 28.65 97.91 54.08 -74.62 -34.87 25.85 2.34 71.82 18.56 4.03 5.47 65.26 4.53 0.02 1.55 0.58 22 R H H 107.01 11.11 16.53 27.71 96.71 54.36 -67.84 -37.22 15.60 1.23 83.17 10.70 2.45 3.82 78.23 3.65 0.01 0.88 0.26 23 K H H 114.93 4.64 19.14 24.15 95.69 51.34 -68.83 -37.43 11.33 1.34 87.34 6.88 1.81 3.61 82.36 4.00 0.02 1.07 0.24 24 V H H 50.88 10.43 17.08 28.39 96.29 51.06 -69.92 -39.09 10.33 1.54 88.13 5.85 1.61 3.64 83.10 4.20 0.03 1.33 0.25 25 L H H 38.61 16.44 14.76 30.92 96.15 51.10 -70.16 -36.38 12.14 1.34 86.53 6.64 2.00 4.52 80.58 4.88 0.04 1.07 0.28 26 R H H 115.57 9.62 17.45 27.29 95.53 55.12 -69.23 -34.71 15.93 0.98 83.09 6.74 2.69 7.51 75.88 6.16 0.06 0.68 0.28 27 D H H 92.44 4.43 18.46 23.54 97.09 52.66 -75.45 -23.96 24.71 0.62 74.68 6.21 3.72 15.22 66.41 7.69 0.13 0.36 0.26 28 N H H 72.04 10.60 17.33 28.04 100.58 46.00 -90.86 -2.28 38.27 0.79 60.94 9.62 5.63 23.62 51.79 8.39 0.12 0.43 0.40 29 I C H 31.56 20.49 12.28 31.39 101.86 78.43 -89.63 10.13 54.12 3.92 41.96 24.35 8.48 22.77 31.10 9.17 0.16 2.09 1.88 30 Q C T 117.96 5.04 18.23 24.72 105.37 115.17 -74.01 102.90 79.48 2.56 17.96 11.95 7.23 59.25 13.85 4.97 0.08 1.49 1.18 31 G C T 46.57 5.70 19.73 25.76 99.74 23.53 81.78 -2.75 90.51 1.35 8.13 12.35 11.14 67.42 3.88 3.82 0.01 0.90 0.48 32 I C C 22.50 21.94 10.81 31.93 115.19 114.21 -90.86 127.07 93.60 4.91 1.49 78.46 13.80 1.00 1.08 0.47 0.00 2.00 3.19 33 T C C 65.50 4.93 22.67 27.32 123.72 -147.13 -90.86 159.85 95.17 3.47 1.37 92.84 2.04 0.37 1.24 0.16 0.00 1.06 2.29 34 K H H 98.95 12.92 15.14 27.93 92.62 -104.58 -58.69 -40.02 2.60 0.02 97.39 0.68 0.48 1.23 97.25 0.35 0.00 0.01 0.00 35 P H H 75.42 2.95 20.96 23.43 91.63 52.62 -63.37 -39.41 1.42 0.01 98.57 0.29 0.14 0.87 98.28 0.43 0.00 0.00 0.00 36 A H H 23.99 10.33 18.25 30.19 91.93 50.77 -64.84 -40.99 0.55 0.01 99.44 0.13 0.06 0.29 99.14 0.38 0.00 0.00 0.00 37 I H H 10.63 21.82 15.30 37.10 92.02 49.76 -64.57 -42.40 0.40 0.01 99.60 0.10 0.05 0.19 99.50 0.16 0.00 0.00 0.00 38 R H H 107.69 8.65 20.82 29.75 91.57 51.07 -63.42 -41.21 0.75 0.02 99.23 0.19 0.08 0.40 99.20 0.12 0.00 0.01 0.00 39 R H H 121.42 3.04 22.57 24.89 91.98 50.06 -64.62 -41.92 1.15 0.03 98.82 0.25 0.14 0.68 98.73 0.18 0.00 0.02 0.01 40 L H H 30.34 13.20 17.57 31.81 92.19 50.07 -65.05 -41.65 1.93 0.09 97.99 0.47 0.26 1.16 97.59 0.44 0.01 0.04 0.02 41 A H H 19.71 15.82 14.03 30.22 92.31 51.62 -64.96 -39.01 4.82 0.11 95.07 1.02 0.43 3.23 94.18 1.03 0.01 0.07 0.02 42 R H H 160.16 2.51 17.66 20.80 92.65 51.53 -66.69 -34.59 12.70 0.17 87.13 1.46 1.08 10.10 85.72 1.43 0.05 0.09 0.07 43 R H H 152.43 2.90 15.48 19.11 96.38 54.71 -77.37 -16.35 38.69 0.32 60.99 2.34 3.71 32.34 59.01 2.16 0.11 0.14 0.19 44 G C T 41.13 8.05 13.39 22.21 100.01 36.55 -86.83 -2.63 71.64 0.26 28.10 3.59 7.82 58.44 27.47 2.35 0.03 0.10 0.20 45 G C T 49.42 3.88 16.20 20.82 101.36 -114.22 80.04 10.27 95.13 0.79 4.09 33.15 18.93 43.51 1.84 1.85 0.00 0.41 0.30 46 V C C 45.87 15.86 9.54 24.74 114.77 131.50 -88.95 128.63 87.38 6.79 5.84 75.34 8.33 3.54 2.78 3.06 0.00 4.57 2.37 47 K C C 151.07 2.41 17.96 20.84 102.72 -164.55 -88.26 -21.67 82.73 10.37 6.90 56.69 20.21 6.33 2.70 4.06 0.01 8.44 1.55 48 R C C 142.69 4.71 17.84 23.61 119.89 15.27 -120.66 133.26 63.62 28.01 8.37 48.51 9.49 5.41 3.59 4.82 0.03 24.91 3.25 49 I C C 43.17 18.51 10.34 27.76 117.97 -163.79 -109.31 125.27 59.06 35.29 5.66 51.56 4.60 1.67 4.45 1.84 0.01 28.65 7.23 50 S C C 60.20 4.63 17.33 22.72 122.11 -132.58 -99.40 163.59 79.54 14.70 5.75 71.28 5.21 2.49 4.87 1.33 0.00 12.98 1.84 51 G H H 47.08 3.85 16.84 21.15 102.46 -6.12 14.47 -60.55 34.58 1.04 64.38 6.78 10.69 19.11 57.00 5.18 0.26 0.54 0.44 52 L H H 96.64 4.15 16.77 21.50 94.41 32.41 -69.31 -34.92 21.01 0.55 78.45 4.04 3.70 14.19 72.02 5.32 0.19 0.32 0.23 53 I H H 41.70 12.81 15.56 29.09 92.63 53.06 -65.14 -40.57 12.89 0.84 86.27 4.99 2.25 6.83 80.01 5.00 0.08 0.61 0.23 54 Y H H 58.50 15.04 15.54 30.54 91.84 52.44 -63.54 -42.26 4.87 0.36 94.76 2.55 0.80 2.02 92.35 1.90 0.02 0.30 0.06 55 E H H 115.55 3.25 20.78 24.10 91.90 49.61 -64.72 -40.71 3.37 0.25 96.38 1.31 0.46 1.74 94.76 1.46 0.01 0.23 0.03 56 E H H 97.51 5.16 21.08 26.38 92.62 47.03 -66.28 -41.06 4.78 0.20 95.01 1.14 0.54 3.07 93.50 1.51 0.02 0.17 0.04 57 T H H 15.72 19.00 17.18 35.92 92.67 47.08 -66.77 -40.51 7.92 0.15 91.93 1.59 0.87 5.33 91.02 1.03 0.02 0.09 0.05 58 R H H 82.23 14.41 19.72 33.37 91.73 52.65 -62.53 -41.41 4.07 0.04 95.88 1.06 0.43 2.44 95.61 0.43 0.00 0.02 0.01 59 G H H 32.77 3.74 23.12 26.63 91.47 51.04 -63.61 -41.66 3.32 0.02 96.66 0.55 0.28 2.35 96.29 0.51 0.00 0.01 0.00 60 V H H 45.98 10.04 21.92 32.49 91.93 49.50 -64.98 -42.36 0.87 0.01 99.12 0.20 0.07 0.50 98.98 0.24 0.00 0.00 0.00 61 L H H 14.24 20.93 18.35 39.08 91.76 50.56 -64.29 -42.41 0.23 0.00 99.77 0.06 0.02 0.11 99.74 0.07 0.00 0.00 0.00 62 K H H 91.53 10.08 22.08 32.12 91.69 51.89 -63.30 -41.47 0.14 0.00 99.86 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 63 V H H 71.13 4.15 23.81 27.56 91.57 50.07 -64.08 -42.54 0.10 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 64 F H H 48.38 14.05 21.24 35.20 91.87 49.05 -64.82 -42.51 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 65 L H H 18.49 20.18 18.90 38.79 91.78 49.77 -64.48 -41.81 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 66 E H H 88.86 7.39 22.79 30.39 91.55 51.53 -63.70 -41.34 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 67 N H H 69.58 5.82 23.68 29.55 92.15 48.93 -66.06 -40.62 0.42 0.00 99.58 0.03 0.02 0.30 99.62 0.03 0.00 0.00 0.00 68 V H H 18.07 17.71 20.14 37.93 91.92 49.21 -64.96 -43.15 0.53 0.00 99.47 0.06 0.03 0.34 99.52 0.05 0.00 0.00 0.00 69 I H H 32.41 16.96 20.52 37.07 91.64 50.26 -63.81 -42.45 0.43 0.00 99.57 0.09 0.03 0.23 99.54 0.10 0.00 0.00 0.00 70 R H H 128.27 3.67 24.95 28.48 91.49 50.16 -63.62 -41.74 0.51 0.00 99.49 0.09 0.04 0.32 99.43 0.13 0.00 0.00 0.00 71 D H H 55.43 8.14 23.44 31.93 91.83 48.52 -65.93 -40.72 1.00 0.01 99.00 0.17 0.07 0.66 98.93 0.17 0.00 0.00 0.00 72 A H H 7.95 19.93 18.05 38.32 91.98 51.14 -63.84 -41.97 1.32 0.01 98.67 0.24 0.11 0.84 98.54 0.26 0.00 0.01 0.00 73 V H H 49.91 10.19 21.57 32.25 91.56 50.25 -63.99 -42.23 2.23 0.05 97.72 0.48 0.25 1.35 97.51 0.37 0.01 0.03 0.01 74 T H H 68.95 2.88 23.76 25.56 91.55 49.63 -64.10 -42.43 4.16 0.13 95.71 1.06 0.51 2.46 95.28 0.57 0.02 0.08 0.03 75 Y H H 55.21 11.69 18.91 31.42 92.40 48.53 -65.98 -41.12 5.81 0.26 93.92 1.74 0.87 3.34 92.66 1.14 0.03 0.16 0.07 76 T H H 19.75 15.81 14.27 30.71 92.18 51.43 -65.44 -39.22 8.65 0.30 91.05 3.14 1.18 4.38 89.40 1.62 0.02 0.18 0.08 77 E H H 121.00 2.92 18.57 21.76 92.49 51.88 -65.10 -38.75 14.27 0.20 85.52 2.83 1.58 9.50 84.07 1.81 0.04 0.11 0.07 78 H H H 127.13 2.58 16.66 19.31 93.76 48.80 -74.97 -25.67 24.43 0.26 75.30 3.66 3.24 17.43 73.67 1.69 0.06 0.11 0.13 79 A C H 36.98 12.59 9.86 22.60 99.19 62.82 -82.59 -5.66 62.13 0.84 37.03 18.42 12.60 29.97 36.09 2.11 0.03 0.30 0.48 80 K C T 173.80 0.91 16.09 16.02 96.11 -130.75 33.91 19.14 86.91 0.54 12.55 23.98 13.54 49.18 10.32 2.45 0.00 0.22 0.31 81 R C C 106.46 7.84 11.29 20.60 124.14 107.25 -109.81 148.51 88.89 1.20 9.90 47.09 22.98 18.93 6.36 3.41 0.00 0.52 0.70 82 K C S 154.03 3.09 15.47 19.81 97.45 -143.65 -83.04 -13.75 92.57 2.04 5.38 35.76 46.87 10.16 3.20 2.15 0.00 1.24 0.62 83 T C C 77.71 4.78 19.27 24.93 128.96 39.26 -129.52 145.40 73.82 20.91 5.26 46.26 21.93 6.07 3.37 2.33 0.02 16.65 3.38 84 V C C 19.29 21.70 11.84 33.12 116.84 -150.34 -106.28 129.30 68.79 28.82 2.40 61.76 6.05 0.58 2.27 0.51 0.00 21.62 7.22 85 T C C 54.33 6.17 24.28 30.44 125.82 -153.00 -96.08 163.76 79.88 18.23 1.89 79.24 1.61 0.31 1.88 0.21 0.00 14.03 2.71 86 A H H 36.40 16.68 16.17 32.69 91.02 -103.43 -58.07 -38.69 3.08 0.02 96.90 0.61 0.47 1.82 96.53 0.56 0.00 0.01 0.00 87 M H H 94.12 6.20 22.72 29.05 91.44 54.52 -63.49 -39.64 1.20 0.01 98.80 0.18 0.10 0.81 98.49 0.42 0.00 0.00 0.00 88 D H H 36.49 13.10 21.38 34.64 91.85 50.43 -65.32 -40.37 0.40 0.00 99.60 0.09 0.03 0.23 99.29 0.35 0.00 0.00 0.00 89 V H H 6.45 23.61 18.90 42.42 91.74 49.58 -64.54 -43.58 0.16 0.00 99.84 0.03 0.01 0.09 99.76 0.11 0.00 0.00 0.00 90 V H H 37.64 12.67 22.43 35.34 91.65 49.96 -63.38 -43.24 0.15 0.00 99.84 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 91 Y H H 90.64 5.10 24.65 30.01 91.56 49.13 -64.05 -42.44 0.25 0.00 99.75 0.03 0.01 0.17 99.70 0.09 0.00 0.00 0.00 92 A H H 8.94 15.18 18.53 35.19 91.50 50.59 -62.81 -43.06 0.52 0.00 99.48 0.06 0.03 0.35 99.39 0.17 0.00 0.00 0.00 93 L H H 19.87 17.45 16.49 34.33 92.03 49.79 -64.16 -41.59 1.45 0.01 98.54 0.23 0.11 0.97 98.22 0.46 0.00 0.00 0.00 94 K H H 123.93 4.65 18.32 23.97 91.95 50.25 -64.82 -39.77 3.64 0.02 96.35 0.47 0.25 2.66 95.63 0.97 0.00 0.01 0.01 95 R H H 145.40 3.71 16.86 21.60 92.53 50.95 -68.61 -31.50 11.83 0.05 88.12 0.85 0.79 9.96 87.23 1.10 0.02 0.02 0.03 96 Q C T 85.44 9.15 13.64 23.65 95.77 47.78 -87.92 -4.55 54.75 0.20 45.06 2.49 4.03 46.10 45.68 1.47 0.03 0.06 0.13 97 G C T 53.95 3.04 16.17 19.99 98.07 -112.57 80.35 12.73 96.33 0.32 3.35 18.78 9.03 68.92 2.17 0.83 0.00 0.15 0.12 98 R C C 107.17 9.28 13.13 23.51 120.43 131.02 -101.34 142.26 94.08 2.43 3.49 81.91 9.41 2.73 1.97 1.39 0.00 1.16 1.43 99 T C C 71.73 7.65 16.06 24.78 120.02 -141.27 -98.21 143.15 90.85 5.21 3.94 83.16 4.74 2.74 1.89 1.77 0.00 2.76 2.92 100 L C C 70.07 14.07 13.34 26.97 103.91 -127.74 -81.59 0.31 81.88 7.04 11.08 34.08 24.29 24.58 3.05 7.12 0.05 3.29 3.55 101 Y C T 128.64 8.24 14.82 23.61 106.94 45.48 -88.69 80.54 84.31 4.97 10.72 16.16 24.56 43.80 2.81 7.47 0.05 2.70 2.45 102 G C C 50.29 4.65 14.34 20.18 103.46 -20.75 82.63 -0.56 87.84 3.69 8.47 31.91 24.99 31.33 1.61 6.62 0.01 1.81 1.71 103 F C C 114.18 8.05 10.51 19.60 107.78 106.08 -93.74 57.74 88.90 5.94 5.16 54.30 16.06 18.60 1.49 3.37 0.00 2.82 3.34 104 G C C 51.68 3.88 12.81 18.24 108.86 -23.00 88.98 4.29 95.17 2.85 1.98 74.56 5.48 15.33 0.51 1.21 0.00 1.74 1.17 105 G C C 47.22 5.27 14.12 20.87 113.57 -59.31 92.92 -168.24 99.79 0.18 0.04 99.19 0.45 0.19 0.01 0.01 0.00 0.11 0.03