# 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 F C C 107.92 8.78 20.00 28.97 117.32 -157.78 -100.12 127.83 99.77 0.22 0.00 99.77 0.08 0.01 0.00 0.00 0.00 0.12 0.02 1 V C C 39.35 18.72 11.83 29.56 117.88 -156.55 -99.72 129.57 91.99 7.91 0.10 92.10 0.43 0.18 0.03 0.03 0.00 6.07 1.15 2 K C C 116.09 5.22 18.66 25.11 121.38 -161.24 -107.71 139.43 85.76 14.12 0.11 81.27 4.39 0.25 0.04 0.07 0.00 12.20 1.79 3 P C C 60.48 13.57 13.70 27.24 113.70 -105.71 -67.11 145.23 83.70 15.23 1.07 79.03 3.32 1.27 0.27 0.78 0.00 12.35 2.99 4 I C C 81.09 11.49 15.09 26.89 101.59 -131.50 -81.35 -17.46 90.63 4.55 4.82 47.84 31.70 11.17 0.70 4.45 0.00 2.84 1.30 5 F C C 116.73 8.37 16.44 25.24 109.51 46.56 -96.91 80.26 90.21 4.84 4.95 50.08 28.50 11.43 0.93 4.46 0.00 2.64 1.95 6 S C C 33.69 14.51 10.77 25.12 117.34 155.08 -100.99 136.85 93.63 3.46 2.91 85.49 5.69 2.58 0.89 1.84 0.00 1.84 1.67 7 R C S 170.25 3.21 15.23 19.52 97.21 -162.43 -82.25 -16.42 97.64 0.61 1.75 37.73 56.27 3.79 0.97 0.60 0.00 0.22 0.41 8 D C C 82.90 3.94 16.63 21.42 109.51 79.45 -96.68 107.14 97.30 0.43 2.27 65.69 28.08 3.52 1.53 0.65 0.00 0.13 0.39 9 M H H 75.10 14.77 11.72 26.25 93.99 -171.48 -64.15 -35.61 10.00 0.03 89.97 3.43 2.65 3.96 88.60 1.34 0.00 0.01 0.02 10 N H H 107.89 2.09 18.88 20.78 92.13 54.81 -64.00 -40.70 5.45 0.01 94.54 1.04 0.77 3.34 93.37 1.45 0.01 0.00 0.01 11 E H H 83.16 3.76 19.54 23.61 91.80 48.63 -65.37 -40.51 2.86 0.01 97.12 0.84 0.34 1.52 95.85 1.44 0.00 0.01 0.00 12 A H H 6.18 19.29 14.03 34.15 91.40 51.31 -63.28 -43.02 1.57 0.00 98.42 0.53 0.18 0.72 97.95 0.61 0.00 0.00 0.00 13 K H H 69.89 14.01 19.94 33.48 91.35 51.54 -62.49 -41.90 0.96 0.00 99.03 0.26 0.09 0.47 98.97 0.21 0.00 0.00 0.00 14 R H H 130.69 2.46 24.96 26.30 91.56 50.09 -64.24 -41.91 0.42 0.00 99.58 0.08 0.03 0.22 99.56 0.11 0.00 0.00 0.00 15 R H H 77.19 11.17 22.60 33.76 91.78 49.14 -64.77 -41.57 0.37 0.00 99.63 0.07 0.02 0.21 99.61 0.10 0.00 0.00 0.00 16 V H H 3.92 24.99 18.37 43.51 91.26 49.82 -63.84 -43.16 0.34 0.00 99.66 0.05 0.02 0.20 99.66 0.07 0.00 0.00 0.00 17 R H H 85.43 12.50 23.54 35.47 91.42 50.84 -62.64 -41.91 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 18 E H H 94.41 4.31 26.44 30.74 91.62 49.94 -64.36 -41.16 0.10 0.00 99.90 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 19 L H H 11.63 19.82 21.80 41.37 91.40 50.00 -64.06 -43.25 0.13 0.00 99.87 0.00 0.00 0.09 99.87 0.03 0.00 0.00 0.00 20 Y H H 13.80 22.90 21.74 43.86 91.55 50.03 -63.17 -42.53 0.16 0.00 99.84 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 21 R H H 101.39 8.16 25.72 34.23 91.47 51.13 -63.34 -42.11 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 22 A H H 22.17 10.18 23.83 35.20 91.41 50.64 -64.15 -42.22 0.15 0.00 99.85 0.01 0.00 0.11 99.78 0.10 0.00 0.00 0.00 23 W H H 8.32 24.29 20.59 44.51 91.46 49.77 -63.77 -42.63 0.22 0.00 99.78 0.01 0.01 0.18 99.48 0.32 0.00 0.00 0.00 24 Y H H 39.52 19.36 21.89 40.17 91.43 51.07 -64.21 -38.92 0.73 0.00 99.27 0.02 0.02 0.71 97.90 1.34 0.00 0.00 0.00 25 R H H 129.39 4.95 25.66 31.15 91.84 52.56 -70.03 -29.05 11.89 0.00 88.10 0.07 0.15 13.33 84.62 1.82 0.00 0.00 0.00 26 E H H 38.27 15.44 20.56 36.13 96.04 47.95 -89.28 -15.41 29.13 0.01 70.87 0.25 0.49 29.76 67.41 2.07 0.01 0.00 0.00 27 V H H 4.26 25.83 16.61 42.76 91.61 85.75 -59.41 -44.67 3.64 0.01 96.35 0.68 0.47 2.08 95.54 1.23 0.00 0.00 0.00 28 P H H 49.86 10.09 22.50 33.07 91.24 51.87 -63.02 -39.06 1.65 0.00 98.34 0.23 0.09 1.10 97.57 1.01 0.00 0.00 0.00 29 N H H 70.41 5.17 24.19 29.43 91.94 50.03 -65.73 -41.14 0.77 0.00 99.23 0.10 0.06 0.51 98.47 0.86 0.00 0.00 0.00 30 T H H 7.95 19.19 18.03 37.76 92.42 50.49 -64.71 -43.32 0.41 0.00 99.59 0.05 0.04 0.25 99.34 0.32 0.00 0.00 0.00 31 V H H 17.36 17.43 15.92 33.72 91.65 49.98 -63.57 -42.30 0.62 0.00 99.38 0.07 0.04 0.43 98.91 0.55 0.00 0.00 0.00 32 H H H 126.13 2.68 19.62 22.40 92.78 48.00 -66.28 -41.14 1.17 0.00 98.83 0.05 0.05 0.99 98.29 0.62 0.00 0.00 0.00 33 Q H H 96.86 6.01 17.92 24.69 92.70 48.36 -68.06 -36.16 5.41 0.00 94.58 0.10 0.19 5.24 93.89 0.57 0.00 0.00 0.00 34 F C T 50.58 15.00 13.32 28.71 98.39 35.16 -101.57 4.04 69.68 0.10 30.22 1.38 3.73 62.53 30.89 1.34 0.01 0.03 0.10 35 Q C T 138.67 2.22 20.00 22.42 94.33 -124.97 56.67 43.59 98.43 0.04 1.53 11.98 2.18 84.52 1.03 0.24 0.00 0.02 0.02 36 L C C 25.69 20.45 8.53 27.63 116.05 177.05 -83.57 139.03 99.06 0.29 0.65 90.72 5.62 2.75 0.32 0.24 0.00 0.10 0.25 37 D C C 123.23 1.18 20.63 20.18 98.69 -138.86 -88.61 27.14 99.63 0.15 0.22 59.34 34.84 5.47 0.07 0.14 0.00 0.07 0.08 38 I C S 47.43 12.97 11.65 25.59 129.21 92.19 -114.59 154.88 98.88 0.74 0.38 35.15 63.28 0.57 0.27 0.08 0.00 0.20 0.44 39 T C C 73.43 2.87 21.66 23.39 118.02 -102.22 -74.27 155.92 98.77 0.65 0.58 97.90 0.86 0.20 0.42 0.06 0.00 0.18 0.38 40 V H H 53.67 16.74 12.03 28.27 91.78 -111.78 -57.80 -39.46 2.80 0.01 97.19 0.69 0.50 1.38 97.00 0.42 0.00 0.00 0.00 41 K H H 139.16 2.02 20.70 22.45 92.03 53.06 -63.56 -40.35 1.59 0.00 98.40 0.21 0.16 1.07 98.15 0.40 0.00 0.00 0.00 42 M H H 85.12 3.79 21.31 24.98 91.96 48.12 -65.88 -40.83 0.66 0.00 99.34 0.12 0.05 0.41 99.10 0.32 0.00 0.00 0.00 43 G H H 2.42 20.92 14.53 36.30 91.20 50.89 -62.64 -43.82 0.37 0.00 99.63 0.09 0.02 0.18 99.60 0.10 0.00 0.00 0.00 44 R H H 62.74 15.43 19.81 34.71 91.51 50.68 -62.70 -42.17 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.03 0.00 0.00 0.00 45 D H H 83.06 2.33 24.88 25.73 91.53 49.89 -64.38 -41.87 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 46 K H H 77.06 8.14 22.74 31.26 91.85 49.32 -64.84 -41.58 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 47 V H H 3.93 24.29 16.71 41.29 91.29 49.07 -63.80 -43.48 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 48 R H H 90.80 12.24 21.15 33.05 91.38 51.16 -62.31 -41.74 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 49 E H H 101.32 1.99 23.97 23.89 91.36 50.22 -63.90 -41.62 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 50 M H H 44.88 11.53 19.59 31.97 92.07 49.58 -65.02 -41.70 0.21 0.00 99.79 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 51 F H H 11.00 22.84 13.67 36.36 91.90 50.15 -64.72 -41.62 0.43 0.00 99.57 0.03 0.02 0.29 99.49 0.17 0.00 0.00 0.00 52 M H H 108.57 4.73 19.31 24.94 91.84 51.52 -64.41 -38.26 1.60 0.00 98.40 0.10 0.08 1.30 97.91 0.61 0.00 0.00 0.00 53 K H H 140.18 1.86 19.73 20.95 91.82 52.50 -68.72 -28.11 9.73 0.00 90.27 0.17 0.34 9.54 88.98 0.95 0.01 0.00 0.00 54 N C T 34.84 15.73 12.57 28.58 100.87 42.90 -108.86 20.21 54.06 0.07 45.87 4.90 2.68 45.21 44.50 2.62 0.01 0.02 0.07 55 A C T 55.10 11.56 14.50 26.81 93.06 119.43 -63.52 -26.08 94.62 0.16 5.22 4.08 3.87 87.31 2.31 2.23 0.00 0.07 0.13 56 H C T 137.36 2.57 20.17 22.82 94.33 56.68 -90.31 1.99 97.47 0.08 2.45 4.98 4.76 87.90 0.47 1.80 0.00 0.04 0.04 57 V C C 22.23 19.27 9.42 28.41 109.76 116.71 -77.24 119.71 98.96 0.29 0.75 96.17 2.06 0.85 0.31 0.27 0.00 0.09 0.24 58 T C C 98.55 3.35 18.80 23.26 101.82 169.14 -109.67 -7.51 99.70 0.14 0.16 93.81 5.31 0.58 0.08 0.05 0.00 0.04 0.14 59 D C C 70.86 5.55 17.48 24.50 110.14 99.37 -83.98 119.24 99.43 0.30 0.26 53.28 45.94 0.15 0.24 0.03 0.00 0.04 0.33 60 P H H 60.30 13.40 13.10 27.10 92.40 -151.25 -60.85 -35.22 1.29 0.00 98.71 0.09 0.14 0.92 98.54 0.31 0.00 0.00 0.00 61 R H H 149.82 2.56 19.75 22.48 91.56 55.79 -63.85 -39.68 0.59 0.00 99.41 0.03 0.03 0.47 99.14 0.32 0.00 0.00 0.00 62 V H H 42.83 8.95 18.89 29.14 92.05 48.13 -65.59 -41.77 0.16 0.00 99.83 0.01 0.01 0.11 99.60 0.26 0.00 0.00 0.00 63 V H H 7.14 22.26 15.54 38.07 91.30 50.69 -62.83 -43.67 0.04 0.00 99.96 0.00 0.00 0.03 99.92 0.05 0.00 0.00 0.00 64 D H H 53.96 11.21 21.68 32.96 91.42 51.18 -63.02 -41.15 0.06 0.00 99.94 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 65 L H H 78.82 3.95 24.74 28.39 91.54 50.71 -64.51 -41.31 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 66 L H H 15.91 18.11 20.52 38.68 91.74 49.94 -63.94 -42.83 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 67 V H H 10.80 22.21 20.10 41.83 91.61 49.46 -63.29 -43.26 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 68 I H H 78.66 5.86 24.91 30.78 91.82 49.61 -63.90 -42.69 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 69 K H H 96.32 5.16 25.43 30.61 91.62 49.05 -64.96 -41.06 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 70 G H H 2.62 22.13 17.47 40.05 91.44 51.13 -63.73 -42.63 0.22 0.00 99.78 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 71 K H H 70.69 14.67 22.15 35.80 91.47 51.99 -62.64 -41.87 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 72 I H H 89.43 2.83 25.10 26.84 91.40 49.87 -63.94 -42.28 0.16 0.00 99.84 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 73 E H H 52.77 11.28 21.82 33.56 91.74 49.76 -64.78 -41.31 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 74 L H H 9.56 22.83 17.01 39.77 91.82 50.72 -63.78 -42.05 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 75 E H H 89.69 7.14 22.48 29.87 91.51 50.99 -63.69 -41.12 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 76 E H H 85.65 3.66 22.49 25.83 91.59 50.07 -64.63 -41.37 0.49 0.00 99.51 0.04 0.03 0.34 99.49 0.10 0.00 0.00 0.00 77 T H H 15.57 16.71 16.70 34.01 92.62 50.28 -65.56 -41.50 1.29 0.00 98.71 0.11 0.09 0.96 98.55 0.29 0.00 0.00 0.00 78 I H H 42.55 15.21 16.28 31.48 92.73 50.78 -65.90 -38.96 4.17 0.01 95.81 0.31 0.29 3.39 95.11 0.87 0.01 0.00 0.00 79 K H H 135.61 2.22 20.01 21.76 94.56 47.32 -71.76 -33.89 13.73 0.02 86.25 0.53 0.79 12.27 85.09 1.26 0.03 0.01 0.02 80 V H H 76.91 5.25 17.89 23.89 100.84 36.49 -90.20 -35.77 38.13 0.14 61.73 2.18 4.61 30.95 60.08 1.94 0.08 0.05 0.11 81 W C H 68.39 15.41 14.11 29.09 100.95 40.41 -92.34 -11.35 59.62 1.33 39.05 20.44 12.66 27.57 31.39 6.48 0.09 0.54 0.82 82 K C C 92.22 10.60 15.85 26.74 98.52 100.87 -72.50 -21.49 71.46 1.57 26.97 33.07 15.86 22.62 19.94 6.91 0.02 0.67 0.90 83 Q C C 78.42 7.85 16.72 25.54 105.94 52.58 -87.80 84.19 73.70 1.35 24.95 50.45 10.52 12.25 19.73 5.61 0.00 0.53 0.90 84 R H H 111.05 10.72 16.10 27.13 94.51 -141.96 -63.98 -35.92 20.32 0.20 79.49 7.76 4.90 8.80 75.19 3.14 0.03 0.08 0.11 85 T H H 57.85 7.59 17.46 26.09 94.49 53.01 -68.74 -35.86 10.35 0.07 89.58 2.46 1.65 6.34 86.33 3.12 0.03 0.03 0.03 86 H H H 64.44 8.67 17.46 27.31 93.60 52.45 -66.54 -40.09 4.61 0.07 95.32 1.20 0.69 2.81 90.61 4.62 0.02 0.04 0.02 87 V H H 32.64 14.32 15.98 30.81 93.27 49.55 -65.80 -42.03 2.87 0.05 97.08 0.61 0.36 1.84 92.30 4.82 0.01 0.04 0.01 88 M H H 61.71 10.02 16.14 27.31 92.48 50.97 -66.34 -38.26 3.49 0.04 96.47 0.52 0.38 2.49 89.25 7.32 0.01 0.03 0.01 89 R H H 123.68 4.88 17.46 23.27 92.54 53.23 -67.19 -34.41 11.67 0.04 88.28 0.79 0.68 9.55 74.73 14.17 0.02 0.02 0.02 90 F H H 83.00 10.16 15.36 26.25 93.25 51.42 -72.81 -32.66 25.52 0.05 74.42 1.23 1.52 21.98 63.10 12.08 0.04 0.02 0.04 91 F H H 75.11 11.80 13.34 25.72 100.04 43.61 -95.43 -4.57 47.35 0.63 52.03 9.14 10.23 29.32 43.02 7.46 0.12 0.23 0.49 92 H C C 107.58 6.25 12.91 20.53 111.63 92.07 -89.08 120.57 86.16 1.18 12.67 53.74 20.63 11.58 9.76 2.97 0.00 0.41 0.90 93 E C C 118.70 5.64 11.84 19.17 108.90 -140.22 -80.59 125.72 91.41 0.78 7.81 76.63 8.06 6.85 4.55 2.99 0.00 0.34 0.58 94 T C C 88.10 5.63 10.28 17.43 105.93 -151.57 -91.88 30.03 92.55 0.84 6.61 68.52 14.38 9.59 3.12 3.35 0.00 0.35 0.68 95 E C C 129.09 3.35 10.94 16.06 114.18 98.57 -92.92 127.82 95.05 0.89 4.06 60.78 28.53 5.83 1.64 2.16 0.00 0.31 0.74 96 A C C 73.84 4.21 10.33 16.50 116.57 -121.24 -87.45 137.92 99.46 0.36 0.18 65.73 33.29 0.50 0.07 0.08 0.00 0.13 0.19 97 P C C 89.62 4.32 11.83 17.96 114.16 -101.33 -67.44 147.92 99.48 0.35 0.17 94.13 4.92 0.47 0.05 0.08 0.00 0.14 0.21 98 R C C 152.97 5.07 11.71 18.82 114.93 -123.74 -87.24 132.63 99.63 0.30 0.06 95.77 3.76 0.13 0.02 0.02 0.00 0.10 0.19 99 P C C 51.42 11.92 8.79 21.29 114.46 -106.95 -67.98 147.98 99.15 0.44 0.41 96.81 1.77 0.68 0.14 0.15 0.00 0.14 0.30 100 K C S 169.45 0.97 14.32 14.94 97.18 -151.08 -84.94 -19.14 99.17 0.26 0.56 42.40 54.94 1.93 0.27 0.18 0.00 0.07 0.21 101 D C S 71.99 4.36 13.32 19.05 125.16 38.42 -119.53 150.08 96.44 1.33 2.23 45.98 48.27 1.99 1.65 0.45 0.00 0.27 1.38 102 F H H 108.39 7.98 12.41 21.81 92.94 -123.81 -62.21 -37.07 10.68 0.08 89.24 3.03 2.72 5.55 85.74 2.83 0.04 0.03 0.05 103 L H H 81.80 6.15 14.56 21.91 92.05 52.97 -64.61 -39.33 5.11 0.02 94.87 0.64 0.56 3.83 90.82 4.10 0.02 0.01 0.01 104 S H H 40.28 4.88 14.25 21.10 91.81 51.88 -64.71 -39.61 2.05 0.02 97.94 0.33 0.23 1.38 92.85 5.18 0.01 0.01 0.00 105 K H H 83.94 7.02 13.79 22.28 92.27 51.92 -65.75 -39.46 1.71 0.01 98.27 0.27 0.20 1.16 93.30 5.05 0.00 0.01 0.00 106 F H H 91.80 7.83 13.83 22.85 93.35 49.07 -68.70 -38.48 4.98 0.04 94.98 0.49 0.47 4.03 90.19 4.76 0.02 0.02 0.01 107 Y H H 132.74 4.40 14.42 19.76 97.09 44.61 -81.02 -28.71 16.70 0.14 83.17 1.56 2.05 13.39 79.94 2.84 0.08 0.05 0.08 108 V C H 90.23 3.73 13.87 18.52 100.28 48.44 -89.88 -9.74 51.49 0.55 47.95 5.54 9.45 35.72 46.74 1.88 0.10 0.18 0.38 109 G C T 41.55 6.99 11.19 19.54 101.94 -117.77 71.11 14.91 93.45 0.98 5.57 31.03 19.06 43.92 3.55 1.51 0.00 0.41 0.51 110 H C C 121.09 4.59 11.13 17.41 108.42 137.30 -91.83 83.20 95.93 2.56 1.51 73.26 17.46 4.82 0.70 0.69 0.00 0.91 2.15 111 D C C 93.57 4.64 10.42 16.89 110.91 79.25 -99.10 109.86 99.67 0.30 0.02 98.50 1.17 0.09 0.01 0.00 0.00 0.13 0.10 112 P C C 89.01 5.53 11.89 19.24 103.71 -148.21 -68.00 32.06 99.97 0.02 0.01 99.80 0.13 0.05 0.00 0.00 0.00 0.01 0.00