# 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 107.42 7.12 12.89 21.19 116.03 -162.39 -89.83 138.04 99.97 0.03 0.01 99.90 0.07 0.02 0.00 0.00 0.00 0.01 0.00 1 S C C 71.86 5.71 11.26 18.59 111.12 -115.18 -74.92 142.03 92.27 0.99 6.74 85.19 1.23 7.37 2.19 3.00 0.00 0.51 0.51 2 S C C 76.84 4.58 11.39 17.59 110.24 -134.12 -89.99 119.01 86.50 3.22 10.28 54.12 16.42 16.08 2.76 7.38 0.00 1.80 1.44 3 A C C 66.84 6.74 11.66 19.76 110.02 -134.86 -91.30 100.03 80.52 7.29 12.19 50.86 18.73 11.40 3.83 8.06 0.01 4.35 2.75 4 V C C 71.00 9.13 10.81 21.14 117.21 106.58 -100.43 135.11 76.50 13.65 9.84 48.08 22.12 5.64 5.81 3.97 0.05 5.60 8.72 5 D C C 71.85 6.35 11.98 19.85 115.62 -118.72 -79.20 151.57 89.96 4.95 5.09 78.26 7.07 4.53 2.64 2.24 0.00 2.65 2.60 6 A C T 85.75 3.71 10.73 16.32 94.91 -116.81 -68.13 -19.42 92.33 1.04 6.62 15.55 20.80 56.31 1.78 4.43 0.00 0.56 0.58 7 T C T 99.57 2.28 11.76 15.02 97.75 56.84 -88.27 0.55 94.34 0.61 5.04 7.94 22.54 64.00 0.88 3.90 0.00 0.31 0.42 8 G C S 49.10 4.27 12.30 17.99 101.22 -102.47 84.35 4.28 95.67 1.23 3.10 25.83 54.11 15.37 0.35 3.04 0.00 0.60 0.70 9 N C C 93.42 4.32 13.28 19.32 118.23 122.19 -91.33 138.62 97.50 2.34 0.16 65.51 31.20 1.03 0.04 0.12 0.00 1.20 0.89 10 P C C 74.40 8.53 13.47 23.22 113.71 -106.48 -66.48 147.83 90.59 9.01 0.41 77.14 11.72 1.00 0.16 0.25 0.00 3.37 6.37 11 I C C 76.06 11.25 14.06 26.03 114.60 -115.18 -84.07 133.03 96.50 3.23 0.28 85.68 10.22 0.68 0.11 0.14 0.00 1.65 1.53 12 P C C 67.20 10.66 15.17 26.48 107.19 -107.81 -69.01 132.50 95.39 2.37 2.23 80.79 9.96 4.58 0.95 1.15 0.00 1.22 1.35 13 T C C 68.88 10.03 15.83 26.33 107.71 101.37 -97.79 25.81 93.82 2.19 3.98 66.56 20.45 6.54 2.38 1.48 0.00 0.80 1.80 14 S C C 44.76 11.23 14.90 26.59 111.05 97.95 -85.71 126.46 78.99 1.80 19.21 41.66 32.69 4.19 18.38 1.35 0.01 0.42 1.30 15 A H H 66.64 4.94 18.08 23.73 93.76 -104.83 -63.69 -38.24 8.31 0.05 91.64 3.11 2.50 2.94 90.43 0.97 0.01 0.02 0.03 16 V H H 62.01 9.98 18.32 28.65 92.51 51.96 -65.68 -40.26 3.60 0.05 96.36 1.23 0.57 1.80 95.35 1.00 0.01 0.02 0.02 17 L H H 36.07 17.32 17.04 33.93 92.65 49.55 -66.08 -40.66 1.91 0.04 98.06 0.69 0.26 0.96 97.00 1.06 0.01 0.02 0.01 18 T H H 57.32 9.90 21.05 31.10 92.04 50.38 -64.76 -41.09 1.99 0.04 97.97 0.71 0.27 1.02 97.25 0.71 0.01 0.02 0.01 19 A H H 44.00 5.54 23.01 28.82 91.82 50.65 -64.36 -41.43 3.92 0.04 96.05 0.75 0.39 2.63 95.51 0.68 0.01 0.02 0.01 20 S H H 21.58 14.75 20.71 35.65 91.72 50.64 -64.70 -41.16 4.49 0.01 95.49 0.60 0.35 3.20 95.33 0.51 0.00 0.00 0.01 21 A H H 18.45 18.50 19.48 37.48 91.43 52.43 -63.13 -41.15 1.09 0.00 98.90 0.19 0.08 0.60 98.92 0.21 0.00 0.00 0.00 22 K H H 109.02 5.82 24.28 30.53 91.64 51.02 -64.04 -41.07 0.96 0.00 99.04 0.11 0.06 0.64 98.93 0.25 0.00 0.00 0.00 23 H H H 71.26 8.16 23.30 31.70 91.67 49.50 -65.18 -42.22 1.06 0.00 98.94 0.10 0.06 0.77 98.78 0.28 0.00 0.00 0.00 24 I H H 17.77 19.00 19.56 38.36 91.73 48.97 -64.06 -42.59 0.59 0.00 99.41 0.06 0.04 0.42 99.22 0.25 0.00 0.00 0.00 25 G H H 13.69 15.83 17.43 33.54 91.64 52.64 -62.77 -40.21 1.00 0.00 99.00 0.07 0.05 0.81 98.36 0.71 0.00 0.00 0.00 26 M H H 116.35 2.87 22.65 25.15 92.26 50.03 -67.31 -37.71 2.16 0.00 97.83 0.05 0.07 2.16 95.93 1.78 0.00 0.00 0.00 27 R H H 113.39 8.14 20.31 28.71 93.78 43.92 -76.62 -30.49 7.54 0.00 92.46 0.06 0.19 8.15 90.13 1.47 0.00 0.00 0.00 28 C H H 12.46 20.04 13.11 33.61 100.68 37.96 -108.55 9.23 48.71 0.05 51.24 2.51 2.53 42.36 50.32 2.21 0.01 0.01 0.06 29 M H H 86.26 10.99 16.82 28.66 92.74 112.53 -57.40 -43.57 1.73 0.00 98.27 0.55 0.15 0.71 98.23 0.36 0.00 0.00 0.00 30 P H H 96.50 1.64 23.27 23.23 91.92 49.41 -63.95 -39.89 0.36 0.00 99.64 0.03 0.01 0.25 99.50 0.21 0.00 0.00 0.00 31 E H H 53.85 12.72 19.79 32.72 91.87 48.86 -66.02 -40.09 0.08 0.00 99.92 0.00 0.00 0.05 99.82 0.12 0.00 0.00 0.00 32 N H H 13.14 20.77 16.47 37.17 91.72 51.55 -63.71 -41.90 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 33 V H H 74.49 4.49 24.70 29.06 91.38 50.09 -63.77 -41.68 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 34 A H H 37.98 5.53 23.36 29.56 91.28 50.70 -63.50 -42.41 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 35 F H H 14.56 20.03 17.75 37.95 91.61 49.80 -63.69 -42.56 0.04 0.00 99.96 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 36 L H H 49.16 11.33 20.86 32.74 91.43 50.29 -63.54 -41.41 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 37 K H H 114.65 2.08 24.05 24.32 91.69 50.31 -64.34 -41.24 0.29 0.00 99.71 0.01 0.01 0.22 99.71 0.05 0.00 0.00 0.00 38 C H H 20.94 10.43 16.25 28.83 91.95 50.22 -64.60 -40.34 0.51 0.00 99.49 0.03 0.02 0.40 99.36 0.20 0.00 0.00 0.00 39 K H H 55.79 14.78 13.00 27.86 91.84 53.06 -64.71 -37.58 1.21 0.00 98.79 0.06 0.06 1.01 98.21 0.66 0.00 0.00 0.00 40 K H H 150.90 1.71 16.86 18.60 92.37 51.20 -68.75 -34.11 4.78 0.00 95.22 0.09 0.16 4.59 94.47 0.68 0.00 0.00 0.00 41 N H H 122.07 1.13 15.73 15.79 96.97 40.22 -87.94 -19.66 15.05 0.01 84.94 0.28 1.14 13.48 84.62 0.46 0.01 0.00 0.01 42 D C C 60.25 8.45 10.76 20.72 116.57 27.62 -134.30 100.82 99.46 0.10 0.44 64.21 33.29 1.88 0.41 0.07 0.00 0.02 0.11 43 P C S 107.16 3.27 13.42 18.58 95.03 -165.60 -68.02 -15.11 99.87 0.05 0.08 22.89 65.51 11.47 0.02 0.05 0.00 0.02 0.03 44 N C C 77.69 4.32 15.71 21.38 107.04 94.29 -102.58 99.98 99.80 0.07 0.13 82.03 17.08 0.69 0.06 0.04 0.00 0.02 0.08 45 P H H 51.75 14.51 11.19 26.13 93.34 -170.11 -62.46 -33.38 15.22 0.04 84.74 2.65 1.88 9.61 68.34 17.47 0.01 0.02 0.03 46 E H H 128.06 2.54 18.60 21.39 91.88 56.41 -64.16 -40.28 6.47 0.01 93.52 0.44 0.42 5.01 76.02 18.10 0.00 0.01 0.00 47 K H H 108.16 3.18 20.51 23.31 92.43 48.93 -66.46 -39.81 4.67 0.02 95.32 0.40 0.31 3.47 76.14 19.67 0.00 0.01 0.00 48 C H H 9.07 18.73 13.46 32.69 93.13 50.57 -65.98 -39.49 7.39 0.03 92.58 1.02 0.64 5.19 80.69 12.43 0.01 0.02 0.01 49 L H H 50.21 12.34 18.91 31.66 92.44 53.31 -63.70 -42.38 3.77 0.02 96.21 1.34 0.79 1.46 95.84 0.55 0.00 0.00 0.01 50 D H H 91.76 1.93 25.45 25.55 91.94 49.38 -64.14 -41.78 0.85 0.00 99.15 0.11 0.09 0.49 99.06 0.25 0.00 0.00 0.00 51 K H H 68.82 10.18 22.26 32.74 91.98 48.78 -65.16 -41.19 0.37 0.00 99.63 0.04 0.02 0.23 99.43 0.28 0.00 0.00 0.00 52 G H H 4.19 21.97 16.84 38.91 91.45 52.30 -62.75 -42.60 0.33 0.00 99.67 0.04 0.02 0.19 99.60 0.15 0.00 0.00 0.00 53 R H H 112.68 7.12 24.54 31.84 91.63 50.46 -63.81 -41.48 0.17 0.00 99.83 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 54 D H H 74.45 4.12 25.98 29.84 91.68 50.05 -64.16 -41.81 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 55 V H H 11.21 19.86 20.34 40.08 91.82 49.17 -64.49 -43.33 0.26 0.00 99.74 0.02 0.01 0.16 99.78 0.04 0.00 0.00 0.00 56 T H H 26.54 17.43 21.41 38.19 91.92 50.42 -63.89 -42.14 0.35 0.00 99.65 0.04 0.01 0.19 99.71 0.04 0.00 0.00 0.00 57 R H H 140.35 2.83 25.97 28.42 91.44 50.80 -63.92 -41.24 0.38 0.00 99.62 0.03 0.02 0.23 99.64 0.09 0.00 0.00 0.00 58 C H H 36.54 9.77 22.87 33.47 91.77 49.77 -64.91 -42.28 0.54 0.00 99.46 0.06 0.02 0.35 99.43 0.15 0.00 0.00 0.00 59 V H H 10.33 22.18 19.59 41.27 91.82 49.59 -65.15 -42.18 0.67 0.00 99.33 0.09 0.03 0.42 99.27 0.19 0.00 0.00 0.00 60 L H H 56.58 11.95 22.39 34.29 91.73 51.33 -63.32 -41.64 0.42 0.00 99.58 0.04 0.02 0.26 99.53 0.14 0.00 0.00 0.00 61 G H H 33.24 3.40 24.64 27.52 91.51 50.80 -63.88 -41.52 0.80 0.00 99.20 0.06 0.03 0.57 99.17 0.17 0.00 0.00 0.00 62 L H H 24.23 15.69 20.48 36.35 91.95 49.99 -64.43 -42.68 0.72 0.00 99.28 0.06 0.03 0.52 99.18 0.20 0.00 0.00 0.00 63 L H H 20.51 20.70 18.76 38.77 91.87 50.83 -63.50 -41.84 0.28 0.00 99.72 0.04 0.02 0.17 99.64 0.14 0.00 0.00 0.00 64 K H H 109.94 4.07 23.22 27.29 91.64 50.60 -63.63 -41.47 0.27 0.00 99.73 0.03 0.01 0.17 99.62 0.17 0.00 0.00 0.00 65 D H H 69.60 4.31 22.67 26.91 91.79 49.13 -64.63 -40.89 0.42 0.00 99.58 0.03 0.02 0.30 99.36 0.28 0.00 0.00 0.00 66 L H H 8.19 20.93 15.84 37.18 91.62 50.37 -63.89 -42.90 0.54 0.00 99.46 0.05 0.03 0.38 98.98 0.55 0.00 0.00 0.00 67 H H H 68.50 14.47 17.44 31.56 91.46 51.48 -63.46 -38.80 1.41 0.00 98.59 0.11 0.08 1.13 97.80 0.89 0.00 0.00 0.00 68 Q H H 123.85 1.62 21.07 21.28 92.87 49.51 -68.36 -37.13 5.62 0.00 94.38 0.14 0.22 5.44 93.04 1.16 0.00 0.00 0.00 69 K H H 112.28 5.26 19.05 24.88 98.29 35.67 -87.80 -27.27 15.51 0.01 84.48 0.26 0.99 14.55 83.19 0.97 0.01 0.00 0.01 70 C C T 11.65 19.72 11.33 31.14 103.34 36.59 -114.69 19.08 62.25 0.42 37.33 17.98 9.12 35.21 34.66 2.51 0.02 0.11 0.39 71 Q H H 88.73 8.81 16.04 26.32 93.14 117.60 -58.65 -43.01 2.97 0.01 97.02 1.46 0.31 0.98 96.85 0.39 0.00 0.00 0.00 72 K H H 143.44 1.32 21.68 21.22 92.08 49.71 -64.67 -40.41 0.47 0.00 99.53 0.04 0.03 0.30 99.41 0.21 0.00 0.00 0.00 73 E H H 54.07 12.01 18.72 31.23 92.19 48.53 -65.80 -40.43 0.20 0.00 99.80 0.02 0.01 0.12 99.66 0.19 0.00 0.00 0.00 74 M H H 15.42 21.18 15.52 36.40 91.86 50.41 -63.67 -41.95 0.08 0.00 99.92 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 75 D H H 80.72 4.73 23.36 28.32 91.51 50.75 -63.89 -40.62 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 76 D H H 73.98 4.66 23.79 28.43 91.73 49.73 -64.57 -41.57 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 77 Y H H 19.14 20.29 18.94 38.94 92.05 49.06 -64.91 -42.62 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 78 V H H 30.80 14.97 21.10 36.09 91.24 50.96 -62.89 -42.73 0.27 0.00 99.73 0.01 0.01 0.22 99.72 0.04 0.00 0.00 0.00 79 G H H 30.85 3.43 24.29 27.39 91.23 51.27 -63.03 -41.38 1.91 0.00 98.09 0.07 0.07 1.73 97.88 0.25 0.00 0.00 0.00 80 C H H 15.22 12.56 18.35 32.70 91.57 50.98 -63.90 -41.47 1.41 0.00 98.59 0.09 0.08 1.13 97.47 1.22 0.00 0.00 0.00 81 M H H 22.01 18.95 15.58 34.54 91.95 51.89 -64.78 -39.63 2.29 0.00 97.70 0.14 0.15 1.89 94.92 2.90 0.00 0.00 0.00 82 Y H H 126.68 5.55 19.36 25.50 93.63 48.62 -69.58 -37.25 6.83 0.01 93.16 0.28 0.37 6.11 90.89 2.33 0.01 0.00 0.00 83 Y H H 142.22 2.89 18.41 21.20 98.56 37.60 -87.56 -28.07 18.34 0.04 81.62 1.01 1.98 15.17 80.34 1.43 0.03 0.01 0.03 84 Y C C 87.40 9.23 12.76 23.27 107.51 29.08 -117.48 43.11 78.59 0.84 20.57 38.05 12.77 27.66 17.51 2.93 0.01 0.24 0.83 85 T C T 80.52 7.65 15.14 23.81 98.56 -138.49 42.41 39.76 95.45 0.12 4.43 6.84 8.18 80.88 1.56 2.38 0.00 0.06 0.09 86 N C T 93.07 9.63 14.90 25.33 93.64 -47.36 64.21 24.71 97.20 0.08 2.72 6.44 12.41 78.65 0.59 1.81 0.00 0.04 0.06 87 E C C 92.32 4.99 18.90 24.82 108.15 127.75 -101.73 100.13 96.70 0.44 2.87 86.14 9.09 1.52 1.78 0.80 0.00 0.11 0.56 88 F H H 70.53 16.45 12.05 28.16 94.06 -171.11 -63.50 -35.19 15.91 0.08 84.01 4.96 2.57 7.97 73.26 11.14 0.01 0.03 0.05 89 D H H 102.49 1.86 20.01 21.27 91.55 58.42 -63.70 -38.42 6.38 0.02 93.60 0.61 0.50 4.51 80.33 14.02 0.01 0.01 0.01 90 L H H 65.82 6.24 18.41 25.84 92.08 49.09 -66.52 -38.26 4.68 0.01 95.31 0.33 0.31 3.47 81.99 13.88 0.01 0.01 0.00 91 C H H 6.36 21.85 12.01 33.85 93.23 50.49 -71.94 -32.89 10.19 0.03 89.78 1.06 0.88 7.62 80.31 10.08 0.01 0.02 0.01 92 R H H 105.86 8.83 19.39 28.83 92.07 58.19 -62.65 -41.47 2.93 0.02 97.05 1.11 0.40 1.10 96.86 0.53 0.00 0.01 0.01 93 K H H 127.91 1.60 23.74 23.29 91.65 50.30 -64.64 -41.27 0.67 0.00 99.33 0.20 0.06 0.28 99.22 0.23 0.00 0.00 0.00 94 E H H 42.40 14.57 18.88 33.54 91.99 48.87 -65.57 -40.75 0.47 0.00 99.53 0.10 0.03 0.22 99.39 0.24 0.00 0.00 0.00 95 Q H H 31.05 19.06 17.26 35.74 91.58 52.22 -62.81 -41.88 0.47 0.00 99.52 0.09 0.03 0.23 99.51 0.14 0.00 0.00 0.00 96 E H H 100.87 2.89 23.85 25.85 91.54 50.66 -63.64 -41.37 0.34 0.00 99.66 0.05 0.02 0.16 99.70 0.07 0.00 0.00 0.00 97 A H H 38.77 5.88 21.19 28.03 91.41 50.56 -64.10 -41.65 0.44 0.00 99.56 0.05 0.02 0.29 99.49 0.16 0.00 0.00 0.00 98 F H H 7.76 23.69 14.46 38.29 91.72 50.45 -64.09 -41.54 0.64 0.00 99.36 0.05 0.03 0.46 99.00 0.45 0.00 0.00 0.00 99 E H H 84.12 12.15 18.53 30.62 90.95 53.46 -64.35 -34.04 2.50 0.00 97.50 0.13 0.11 2.16 96.33 1.27 0.00 0.00 0.00 100 K H H 151.66 1.30 22.19 21.86 91.96 51.74 -71.56 -27.38 17.45 0.00 82.54 0.27 0.46 17.36 80.54 1.36 0.01 0.00 0.01 101 V H H 46.42 12.59 16.77 29.86 99.28 42.81 -94.23 -21.92 32.96 0.06 66.98 1.27 2.85 28.38 65.98 1.42 0.04 0.02 0.05 102 C C S 15.07 21.27 11.55 31.96 113.86 60.02 -109.86 111.51 97.23 1.51 1.25 26.23 69.38 1.74 1.01 0.26 0.00 0.52 0.85 103 P C C 71.42 6.04 18.62 25.63 106.76 -144.39 -69.87 121.80 95.15 3.16 1.69 78.49 8.92 7.60 0.63 0.98 0.00 1.72 1.65 104 L C C 76.20 13.34 10.85 23.87 109.92 -166.57 -88.08 115.21 93.76 4.18 2.06 87.74 2.04 4.21 0.88 0.81 0.00 2.20 2.12 105 K C C 143.17 3.44 15.93 20.73 110.78 -135.44 -89.79 116.62 99.94 0.05 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.03 0.00