# 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 M C C 117.41 5.13 11.93 18.50 110.20 -157.36 -86.72 124.78 99.93 0.03 0.05 99.83 0.07 0.06 0.02 0.00 0.00 0.01 0.00 1 S C C 69.60 4.58 10.78 17.00 111.11 -126.11 -82.22 136.89 82.27 0.68 17.05 74.03 1.31 7.22 14.97 1.75 0.00 0.28 0.44 2 A C C 72.75 4.59 10.65 16.74 103.53 -136.39 -79.66 -6.67 71.33 0.73 27.93 45.67 12.79 11.52 26.41 2.91 0.00 0.28 0.43 3 S C H 67.12 3.53 13.01 17.57 104.50 61.36 -77.10 -24.95 50.94 0.68 48.38 32.70 10.76 7.27 46.40 2.28 0.00 0.24 0.34 4 V H H 73.46 8.63 12.15 21.62 94.38 -29.45 -66.02 -38.37 14.82 0.19 85.00 6.84 3.35 5.11 83.03 1.50 0.01 0.07 0.09 5 V H H 74.53 6.51 14.43 22.10 93.17 52.12 -65.89 -39.44 7.97 0.10 91.93 3.77 1.38 2.93 90.87 0.96 0.01 0.04 0.05 6 S H H 55.98 3.15 16.84 20.30 92.96 52.01 -65.56 -40.00 5.45 0.10 94.45 3.16 0.77 1.64 93.67 0.69 0.00 0.05 0.04 7 V H H 55.87 6.82 16.27 24.46 92.32 50.16 -64.83 -42.13 2.15 0.05 97.80 0.98 0.28 0.89 97.47 0.35 0.00 0.03 0.01 8 I H H 52.92 11.27 15.74 27.77 92.11 49.12 -64.54 -41.71 1.08 0.02 98.90 0.40 0.12 0.48 98.80 0.18 0.00 0.01 0.00 9 S H H 50.83 5.04 17.73 23.80 91.76 51.09 -64.04 -40.80 0.80 0.01 99.19 0.25 0.07 0.38 99.17 0.12 0.00 0.00 0.00 10 R H H 131.73 2.36 19.50 21.30 91.81 50.06 -65.12 -41.59 0.54 0.00 99.45 0.10 0.04 0.31 99.46 0.09 0.00 0.00 0.00 11 F H H 66.73 9.61 16.82 27.42 92.31 49.17 -64.79 -42.41 0.41 0.00 99.59 0.07 0.03 0.23 99.60 0.08 0.00 0.00 0.00 12 L H H 54.33 11.27 15.95 27.99 91.92 50.32 -63.74 -41.26 0.38 0.00 99.62 0.06 0.02 0.22 99.61 0.09 0.00 0.00 0.00 13 E H H 111.21 2.18 19.04 20.55 91.87 50.45 -64.33 -40.98 0.86 0.00 99.14 0.10 0.06 0.60 99.06 0.18 0.00 0.00 0.00 14 E H H 91.76 3.49 17.67 21.54 92.26 49.40 -65.60 -40.15 2.77 0.00 97.22 0.27 0.20 2.11 96.97 0.45 0.00 0.00 0.00 15 Y H H 53.81 13.31 12.55 26.53 92.65 50.37 -66.09 -39.38 6.78 0.02 93.20 1.00 0.73 4.78 92.06 1.40 0.01 0.01 0.01 16 L H H 88.47 7.52 14.12 22.74 93.06 51.63 -69.54 -31.29 15.70 0.05 84.25 2.11 1.68 11.65 82.59 1.89 0.02 0.02 0.04 17 S H H 88.74 1.06 16.08 15.82 97.46 47.82 -80.70 -24.24 35.67 0.13 64.20 3.97 5.44 25.92 62.68 1.82 0.04 0.04 0.10 18 S C H 78.84 2.47 14.40 17.47 104.51 27.58 -107.63 -6.08 61.54 0.30 38.17 13.78 17.56 29.17 37.20 1.96 0.01 0.08 0.23 19 T C C 46.48 13.45 8.23 21.41 118.81 89.41 -99.49 138.71 93.42 0.36 6.22 46.55 42.65 3.68 6.02 0.72 0.00 0.09 0.29 20 P C C 66.64 4.56 14.44 20.35 111.94 -104.13 -67.90 148.59 86.91 0.26 12.83 77.96 3.78 4.33 12.49 1.19 0.00 0.09 0.17 21 Q H H 129.82 2.64 13.77 17.65 93.43 -112.40 -60.73 -36.05 19.49 0.12 80.40 8.54 4.89 6.47 78.16 1.83 0.01 0.04 0.07 22 R H H 137.21 4.07 15.55 20.68 92.32 54.53 -64.14 -39.02 8.25 0.04 91.70 2.11 1.31 4.66 90.23 1.63 0.01 0.02 0.02 23 L H H 53.22 11.04 13.98 25.94 92.57 49.69 -66.68 -38.78 3.19 0.02 96.79 1.10 0.39 1.53 95.74 1.22 0.00 0.01 0.00 24 K H H 101.27 5.62 17.70 24.30 92.13 52.38 -63.90 -40.99 1.17 0.01 98.83 0.39 0.12 0.52 98.54 0.43 0.00 0.00 0.00 25 L H H 79.56 4.86 19.66 24.97 91.74 50.10 -64.73 -41.63 0.60 0.00 99.40 0.14 0.05 0.32 99.30 0.18 0.00 0.00 0.00 26 L H H 45.32 11.77 17.63 30.24 91.88 50.34 -64.00 -42.22 0.16 0.00 99.83 0.03 0.01 0.09 99.82 0.05 0.00 0.00 0.00 27 D H H 56.81 8.48 19.19 28.40 91.68 50.74 -63.82 -40.82 0.13 0.00 99.87 0.02 0.00 0.07 99.87 0.03 0.00 0.00 0.00 28 A H H 49.62 4.22 20.85 25.27 91.46 50.69 -63.88 -41.64 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 29 Y H H 79.06 10.63 18.99 30.18 92.01 50.68 -64.93 -41.38 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 30 L H H 52.94 12.20 17.79 30.42 91.60 51.54 -63.64 -41.30 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 31 L H H 91.78 2.88 22.01 24.14 91.61 50.17 -64.12 -41.52 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 32 Y H H 98.28 6.75 20.35 27.60 91.90 49.76 -64.61 -42.04 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 I H H 31.15 17.37 16.71 33.99 91.70 50.49 -63.98 -42.21 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 34 L H H 83.09 6.64 21.03 28.12 91.56 49.94 -63.37 -41.55 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 35 L H H 93.46 2.49 23.81 24.86 91.83 48.63 -64.62 -42.03 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 36 T H H 28.17 13.42 19.58 33.58 91.84 48.98 -64.86 -41.72 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 37 G H H 11.20 17.13 17.48 34.78 91.44 51.62 -62.60 -42.14 0.19 0.00 99.81 0.01 0.00 0.13 99.83 0.03 0.00 0.00 0.00 38 A H H 61.02 3.02 23.75 26.06 91.46 50.31 -63.96 -41.52 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.04 0.00 0.00 0.00 39 L H H 81.41 4.48 23.23 27.52 91.60 49.33 -64.61 -41.81 0.24 0.00 99.76 0.01 0.01 0.19 99.74 0.05 0.00 0.00 0.00 40 Q H H 25.65 18.36 17.20 35.50 91.84 50.39 -64.28 -41.79 0.58 0.00 99.42 0.02 0.01 0.53 99.32 0.11 0.00 0.00 0.00 41 F H H 86.35 10.47 19.93 30.59 91.65 50.67 -63.52 -41.49 0.48 0.00 99.52 0.02 0.02 0.42 98.82 0.72 0.00 0.00 0.00 42 G H H 39.34 2.25 22.02 22.87 91.61 50.52 -63.95 -41.96 0.68 0.00 99.32 0.02 0.02 0.59 98.20 1.16 0.00 0.00 0.00 43 Y H H 82.89 7.71 18.15 26.95 92.26 48.63 -66.05 -40.17 1.12 0.00 98.88 0.04 0.05 1.00 97.50 1.41 0.00 0.00 0.00 44 C H H 22.55 16.04 12.49 28.91 91.74 51.96 -65.16 -38.14 2.55 0.01 97.44 0.13 0.14 2.24 95.39 2.09 0.01 0.00 0.00 45 L H H 107.78 3.89 16.04 20.94 92.09 51.43 -69.54 -30.34 8.81 0.01 91.17 0.21 0.42 8.53 88.50 2.29 0.04 0.00 0.01 46 L H H 125.26 1.39 15.84 16.54 96.81 46.16 -79.34 -30.17 21.18 0.05 78.77 0.61 1.82 19.05 76.52 1.86 0.09 0.02 0.04 47 V H H 89.50 4.65 13.08 18.96 103.33 34.12 -99.34 -17.21 37.14 0.52 62.35 5.48 10.84 22.00 59.59 1.37 0.17 0.13 0.42 48 G C C 37.66 5.08 14.04 20.62 122.70 -120.85 107.21 -176.93 97.57 1.28 1.16 61.83 26.24 9.58 0.43 0.66 0.00 0.57 0.69 49 T C C 91.91 4.77 15.01 21.08 117.19 -58.26 -99.32 137.46 97.25 2.01 0.74 53.65 38.61 5.06 0.21 0.51 0.00 0.88 1.09 50 F C C 96.04 10.56 12.96 24.20 116.63 -128.71 -92.58 136.05 96.52 2.06 1.41 52.91 37.52 6.07 0.51 0.79 0.00 0.83 1.37 51 P C C 64.74 8.64 15.74 25.35 105.47 -102.80 -71.47 115.84 96.88 0.60 2.52 62.28 23.71 11.04 1.23 1.08 0.00 0.25 0.42 52 F C C 92.39 11.01 14.80 26.15 101.28 -150.37 -75.99 -21.34 69.31 0.84 29.86 50.59 11.61 6.59 27.23 3.05 0.00 0.24 0.69 53 N H H 93.54 6.12 18.20 25.03 94.47 74.72 -65.55 -35.91 16.76 0.09 83.15 5.02 3.09 8.88 77.23 5.68 0.02 0.04 0.05 54 S H H 45.65 9.55 18.63 28.34 93.00 54.48 -67.03 -37.74 9.53 0.06 90.41 1.94 1.29 6.19 84.51 5.99 0.02 0.04 0.03 55 F H H 44.19 17.01 17.74 34.21 92.83 51.87 -66.19 -41.12 4.36 0.04 95.60 1.03 0.55 2.67 90.84 4.86 0.00 0.02 0.01 56 L H H 58.64 12.35 21.36 33.58 91.66 51.57 -63.35 -41.96 1.64 0.01 98.35 0.43 0.20 0.90 97.34 1.12 0.00 0.00 0.00 57 S H H 46.82 7.37 23.98 31.51 91.64 50.84 -64.21 -40.84 0.98 0.00 99.02 0.16 0.07 0.61 98.58 0.57 0.00 0.00 0.00 58 G H H 12.73 15.54 20.89 36.71 91.78 51.62 -64.39 -41.56 1.09 0.00 98.91 0.13 0.06 0.74 98.52 0.54 0.00 0.00 0.00 59 F H H 40.66 18.23 22.36 39.61 91.95 49.82 -64.26 -42.77 1.00 0.00 99.00 0.12 0.07 0.65 98.75 0.40 0.00 0.00 0.00 60 I H H 67.14 10.28 25.75 36.19 91.60 49.86 -63.67 -42.23 0.67 0.00 99.32 0.08 0.05 0.42 99.19 0.26 0.00 0.00 0.00 61 S H H 36.29 10.87 24.88 35.83 91.89 50.11 -64.82 -41.77 1.72 0.00 98.28 0.11 0.08 1.36 97.95 0.49 0.00 0.00 0.00 62 C H H 16.60 18.90 22.27 40.66 92.37 49.41 -65.82 -41.51 3.81 0.01 96.18 0.21 0.18 3.25 95.78 0.59 0.00 0.00 0.00 63 V H H 40.34 14.68 25.09 39.48 91.75 49.71 -63.81 -42.14 3.32 0.01 96.68 0.35 0.30 2.32 96.61 0.41 0.00 0.00 0.00 64 G H H 22.59 10.30 25.08 35.91 91.91 51.26 -64.23 -41.70 3.19 0.00 96.81 0.47 0.21 2.03 96.98 0.30 0.00 0.00 0.00 65 S H H 26.22 14.96 23.59 38.36 92.02 50.27 -65.79 -40.53 1.98 0.00 98.02 0.24 0.12 1.31 98.08 0.24 0.00 0.00 0.00 66 F H H 43.33 18.11 23.11 40.09 92.12 50.66 -64.12 -42.35 0.58 0.00 99.42 0.09 0.04 0.32 99.43 0.13 0.00 0.00 0.00 67 I H H 60.28 11.94 25.69 37.49 91.64 49.41 -63.82 -42.66 0.18 0.00 99.82 0.02 0.01 0.10 99.81 0.07 0.00 0.00 0.00 68 L H H 56.49 11.05 25.44 36.64 91.74 49.61 -64.79 -41.88 0.14 0.00 99.86 0.01 0.01 0.08 99.84 0.06 0.00 0.00 0.00 69 A H H 15.55 16.94 21.95 39.06 91.91 50.43 -64.38 -41.66 0.30 0.00 99.70 0.02 0.01 0.22 99.67 0.09 0.00 0.00 0.00 70 V H H 37.27 14.29 23.75 37.90 91.72 50.38 -63.84 -42.05 0.57 0.00 99.43 0.02 0.02 0.45 99.37 0.13 0.00 0.00 0.00 71 C H H 42.12 10.30 23.76 34.39 91.74 50.99 -64.36 -41.30 1.35 0.00 98.65 0.08 0.05 1.07 98.43 0.36 0.00 0.00 0.00 72 L H H 41.60 12.71 21.94 34.97 91.97 51.38 -64.66 -40.71 1.74 0.00 98.26 0.09 0.08 1.43 97.07 1.32 0.00 0.00 0.00 73 R H H 66.10 14.06 21.05 34.66 92.17 51.03 -64.86 -40.12 1.91 0.00 98.08 0.13 0.12 1.52 95.81 2.42 0.00 0.00 0.00 74 I H H 50.93 11.66 19.16 31.33 92.33 50.96 -67.33 -36.52 3.64 0.01 96.35 0.21 0.22 3.14 93.38 3.04 0.01 0.00 0.00 75 Q H H 79.54 9.37 18.69 28.54 92.06 54.14 -68.56 -28.47 11.89 0.02 88.09 0.47 0.58 10.93 86.31 1.66 0.02 0.01 0.01 76 I H H 74.23 9.83 17.05 27.20 96.62 43.97 -87.72 -20.10 23.72 0.06 76.22 0.96 3.08 19.67 75.26 0.88 0.08 0.01 0.06 77 N C C 50.92 10.45 12.24 24.22 110.26 71.81 -107.59 105.07 99.70 0.14 0.16 77.51 21.94 0.22 0.11 0.04 0.00 0.03 0.15 78 P H G 94.11 4.33 12.93 19.42 93.04 -161.26 -63.09 -27.77 30.09 0.07 69.84 2.21 2.31 23.37 5.72 66.32 0.00 0.04 0.03 79 Q H G 141.92 1.10 15.41 15.83 91.57 62.37 -70.80 -20.61 28.24 0.05 71.71 1.01 1.85 24.16 6.24 66.69 0.00 0.02 0.03 80 N H G 41.09 11.93 10.07 23.10 99.34 47.34 -103.43 11.88 29.16 0.16 70.68 7.93 3.46 15.64 7.46 65.36 0.00 0.09 0.06 81 K H G 95.30 11.72 11.18 23.38 93.26 106.41 -60.76 -37.14 20.72 0.07 79.21 4.54 2.02 12.54 33.49 47.32 0.00 0.04 0.04 82 A H G 89.96 0.95 17.04 16.53 91.49 56.31 -67.42 -28.58 14.43 0.02 85.55 0.77 0.93 12.10 27.08 59.10 0.00 0.01 0.01 83 D H G 91.82 4.18 15.78 20.88 93.24 54.89 -76.10 -20.56 17.94 0.03 82.03 0.99 1.28 14.68 27.00 56.02 0.00 0.02 0.01 84 F H G 28.88 18.69 8.56 26.40 100.65 44.00 -104.72 10.34 45.70 0.33 53.97 10.02 7.27 27.54 15.99 38.69 0.01 0.14 0.34 85 Q C T 129.98 3.59 13.43 19.49 108.19 130.28 -62.94 122.27 98.11 0.18 1.71 4.01 3.87 90.45 0.63 0.79 0.00 0.08 0.17 86 G C T 67.56 0.49 15.97 14.05 95.55 16.88 81.09 0.29 99.28 0.05 0.67 2.03 6.60 90.73 0.11 0.47 0.00 0.03 0.02 87 I C C 48.31 14.54 8.55 23.03 119.90 106.86 -99.24 139.26 98.61 0.92 0.46 57.83 39.24 1.09 0.23 0.17 0.00 0.14 1.30 88 S C C 54.90 3.12 20.05 22.62 116.82 -112.55 -72.31 153.23 99.80 0.08 0.12 98.68 1.09 0.06 0.09 0.01 0.00 0.01 0.05 89 P H H 59.16 14.71 12.77 27.29 92.24 -114.85 -58.23 -37.48 4.68 0.01 95.32 0.57 0.51 3.30 93.92 1.68 0.00 0.00 0.00 90 E H H 121.49 3.29 19.56 23.38 91.84 54.12 -63.90 -39.94 2.72 0.00 97.28 0.22 0.20 2.13 95.67 1.77 0.00 0.00 0.00 91 R H H 114.55 4.71 21.51 26.34 91.95 48.46 -66.63 -39.49 1.40 0.00 98.60 0.22 0.11 0.92 96.62 2.11 0.00 0.00 0.00 92 A H H 6.89 19.83 15.14 35.52 91.28 51.64 -63.12 -43.22 1.22 0.00 98.77 0.20 0.09 0.79 98.16 0.76 0.00 0.00 0.00 93 F H H 65.64 13.08 20.68 33.59 91.69 49.78 -63.77 -41.22 1.23 0.00 98.77 0.18 0.08 0.85 98.58 0.31 0.00 0.00 0.00 94 A H H 50.66 3.89 23.37 27.12 91.37 51.11 -63.33 -42.07 0.43 0.00 99.57 0.05 0.02 0.27 99.54 0.12 0.00 0.00 0.00 95 D H H 48.21 10.44 21.70 32.59 91.82 49.82 -65.38 -40.81 0.50 0.00 99.50 0.05 0.02 0.33 99.50 0.11 0.00 0.00 0.00 96 F H H 25.25 20.61 18.48 38.55 91.97 50.92 -63.90 -42.20 0.26 0.00 99.74 0.03 0.01 0.16 99.73 0.07 0.00 0.00 0.00 97 L H H 69.09 9.68 22.62 32.35 91.78 50.28 -63.45 -41.91 0.22 0.00 99.78 0.02 0.01 0.14 99.77 0.06 0.00 0.00 0.00 98 F H H 110.37 3.17 24.84 27.29 91.55 48.86 -64.24 -42.02 0.34 0.00 99.66 0.03 0.02 0.24 99.60 0.11 0.00 0.00 0.00 99 A H H 15.17 15.04 19.05 34.91 91.80 50.34 -64.01 -41.72 0.66 0.00 99.34 0.05 0.03 0.49 99.21 0.22 0.00 0.00 0.00 100 S H H 19.56 18.06 18.41 36.12 92.25 50.62 -64.76 -39.89 2.79 0.00 97.21 0.09 0.09 2.54 96.97 0.31 0.00 0.00 0.00 101 T H H 67.95 5.16 22.43 27.70 92.41 49.24 -65.60 -41.59 6.92 0.01 93.07 0.16 0.23 6.38 92.88 0.35 0.00 0.00 0.00 102 I H H 82.60 4.37 22.42 26.60 92.03 48.04 -65.46 -42.45 4.35 0.01 95.64 0.25 0.37 3.69 95.28 0.40 0.01 0.00 0.00 103 L H H 25.01 17.00 17.41 34.60 92.06 49.35 -64.67 -41.86 2.19 0.01 97.80 0.29 0.17 1.63 96.81 1.10 0.00 0.00 0.00 104 H H H 56.68 14.33 17.37 31.61 91.69 51.71 -63.51 -41.68 1.21 0.01 98.78 0.21 0.09 0.83 97.46 1.39 0.00 0.01 0.00 105 L H H 93.78 2.71 20.85 22.97 91.83 50.63 -64.67 -41.64 0.78 0.02 99.20 0.15 0.06 0.53 97.80 1.44 0.00 0.02 0.00 106 V H H 63.59 5.92 18.56 25.45 92.09 48.74 -65.58 -41.83 1.55 0.11 98.34 0.34 0.15 1.02 96.92 1.43 0.01 0.12 0.01 107 V H H 24.51 15.96 13.92 30.40 92.61 48.51 -65.77 -41.02 2.99 0.28 96.74 0.63 0.32 1.98 95.16 1.58 0.02 0.29 0.03 108 M H H 84.09 7.62 15.09 23.85 92.23 51.41 -65.16 -39.12 4.61 0.16 95.23 0.81 0.45 3.20 91.57 3.77 0.02 0.16 0.02 109 N H H 112.93 1.64 15.49 16.94 92.91 51.62 -69.30 -29.21 16.56 0.10 83.34 1.50 1.05 13.54 78.93 4.85 0.03 0.06 0.04 110 F H H 112.84 6.42 11.97 19.65 96.71 51.65 -80.36 -19.65 28.83 0.18 70.99 3.87 2.57 21.91 67.52 3.90 0.04 0.08 0.10 111 V H H 77.90 8.74 9.77 19.28 100.40 59.91 -85.32 -3.41 46.74 0.80 52.45 25.46 2.92 18.60 50.48 1.73 0.01 0.27 0.54 112 G C C 52.99 2.86 14.72 18.75 106.36 -121.94 76.09 46.75 99.97 0.02 0.02 99.80 0.07 0.11 0.01 0.00 0.00 0.01 0.00