# 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 A C C 47.88 12.74 15.32 27.91 115.09 -161.71 -86.50 132.91 99.76 0.21 0.04 99.68 0.14 0.04 0.02 0.00 0.00 0.09 0.04 1 T C C 52.96 10.15 12.72 23.83 114.81 -139.08 -87.33 140.42 85.80 0.32 13.88 83.06 0.93 2.03 12.95 0.72 0.00 0.12 0.19 2 P H H 93.85 3.03 13.77 17.80 95.82 -117.32 -63.06 -33.60 44.74 0.36 54.90 13.36 4.30 26.53 46.75 8.63 0.02 0.19 0.21 3 S H H 67.15 3.68 13.96 18.62 95.39 53.29 -71.13 -27.41 34.87 0.35 64.78 8.98 3.43 21.65 54.96 10.58 0.04 0.19 0.18 4 L H H 45.87 13.74 11.38 25.35 93.39 58.66 -66.84 -38.63 9.98 0.23 89.79 4.30 1.87 4.22 78.91 10.47 0.01 0.14 0.06 5 R H H 128.32 5.71 15.14 22.21 92.18 54.38 -63.86 -39.69 5.92 0.11 93.97 1.86 0.91 3.34 87.98 5.78 0.02 0.08 0.03 6 G H H 39.51 2.16 17.12 18.93 92.61 50.70 -64.47 -40.03 7.06 0.11 92.84 1.73 0.94 4.50 86.62 6.08 0.02 0.07 0.03 7 R H H 90.58 8.29 15.33 24.69 92.68 50.68 -66.60 -39.31 6.59 0.13 93.28 1.91 0.96 3.94 87.09 5.94 0.02 0.09 0.03 8 L H H 48.54 13.71 12.90 26.99 92.26 52.34 -65.82 -37.58 7.38 0.16 92.46 1.90 1.07 4.56 85.10 7.19 0.04 0.10 0.05 9 A H H 72.14 2.97 16.63 20.13 91.87 57.00 -67.24 -25.66 21.38 0.23 78.39 3.06 2.17 16.04 71.43 6.99 0.08 0.13 0.11 10 R H H 149.21 3.04 15.68 19.28 95.38 57.40 -82.24 -10.30 46.86 0.73 52.41 8.15 5.45 33.26 45.37 6.85 0.13 0.35 0.44 11 F C C 72.81 14.01 9.27 23.07 110.28 96.05 -79.16 121.74 66.13 3.03 30.84 38.67 12.44 15.33 26.15 4.39 0.04 1.24 1.74 12 A C C 80.60 3.44 13.79 18.28 102.48 -141.99 -80.84 1.17 81.18 2.92 15.90 49.80 16.17 14.87 12.26 3.86 0.01 1.24 1.80 13 N C C 88.07 5.78 10.22 17.80 111.89 92.50 -104.13 109.74 95.94 1.96 2.10 67.79 24.55 3.43 1.19 0.83 0.00 0.70 1.52 14 P C T 106.25 3.07 11.26 16.23 100.78 -152.57 -72.94 -0.24 97.57 0.53 1.90 23.09 18.10 56.43 0.39 1.44 0.00 0.29 0.25 15 G C T 53.70 2.33 13.11 16.45 110.28 43.25 -53.25 -83.37 98.45 0.54 1.01 18.06 28.67 51.61 0.11 1.05 0.00 0.31 0.20 16 K C C 137.92 3.87 13.69 19.05 115.67 -12.34 -93.28 132.83 97.87 1.91 0.21 54.62 42.70 0.76 0.06 0.13 0.00 0.76 0.97 17 P C C 53.44 12.77 10.78 24.14 114.32 -114.19 -69.10 145.63 97.57 2.23 0.21 94.85 2.48 0.47 0.06 0.11 0.00 1.27 0.77 18 I C C 96.18 6.22 17.26 24.31 110.56 -126.87 -83.66 129.63 93.48 6.20 0.31 69.55 22.85 1.34 0.09 0.24 0.00 2.81 3.13 19 L C C 60.27 15.57 11.31 26.46 115.51 -124.62 -90.19 130.04 88.18 11.54 0.28 71.43 16.06 0.80 0.11 0.19 0.00 4.65 6.76 20 K C C 126.36 4.70 17.65 23.67 118.81 -164.42 -117.37 124.58 96.73 3.20 0.07 92.47 4.43 0.17 0.02 0.04 0.00 2.08 0.79 21 P C C 58.98 13.39 12.21 25.83 115.03 -115.23 -67.31 146.57 96.70 2.77 0.53 90.87 4.36 1.60 0.13 0.34 0.00 1.56 1.14 22 N C C 101.74 6.36 15.47 22.77 101.00 -138.15 -84.25 11.45 98.24 1.28 0.48 62.65 33.33 2.27 0.12 0.34 0.00 0.49 0.80 23 K C S 112.62 6.23 16.08 23.47 125.39 4.70 -114.18 144.03 97.39 1.85 0.76 37.02 59.78 1.01 0.29 0.33 0.00 0.77 0.80 24 P C C 71.48 8.75 16.96 26.43 116.08 -94.85 -67.89 150.76 95.86 2.03 2.11 87.28 6.72 2.15 0.56 1.33 0.00 1.28 0.67 25 L C C 39.33 18.88 13.44 31.88 113.80 -112.11 -78.82 134.68 84.97 11.81 3.22 77.60 5.17 1.92 1.57 1.63 0.00 7.76 4.34 26 I C C 86.25 8.07 21.52 30.18 120.16 -158.78 -110.84 131.08 71.57 25.26 3.17 61.60 6.58 1.57 2.32 1.19 0.00 15.17 11.57 27 L C C 34.28 19.42 13.01 31.85 114.40 -150.63 -91.45 132.74 78.18 16.43 5.39 67.68 7.11 2.67 3.25 2.31 0.00 11.63 5.34 28 A C C 49.60 8.03 17.96 26.76 114.24 -126.95 -74.55 158.82 79.52 4.59 15.89 47.09 19.89 13.18 7.64 7.81 0.01 2.82 1.56 29 N C C 103.95 6.42 17.14 24.44 99.98 -88.05 -77.02 10.47 76.99 3.17 19.83 31.73 26.59 19.96 8.83 9.83 0.05 1.68 1.33 30 R C C 121.84 7.57 18.27 26.58 118.29 72.47 -113.78 134.41 70.90 9.92 19.19 47.61 12.06 10.91 9.94 9.35 0.04 5.95 4.13 31 V C C 41.16 17.02 13.34 29.75 113.74 -148.82 -96.69 126.38 68.98 10.26 20.75 44.21 13.35 11.62 12.78 7.79 0.06 6.09 4.10 32 G C C 30.50 10.94 16.31 27.45 114.10 22.01 -87.33 142.61 74.93 5.69 19.38 35.64 16.91 23.24 9.90 8.86 0.04 3.39 2.03 33 N C C 94.85 6.80 15.64 23.31 104.78 -60.45 -88.84 60.71 79.35 2.64 18.02 35.15 21.05 24.08 7.86 9.27 0.03 1.24 1.32 34 R C C 118.13 8.95 12.18 22.05 109.15 142.31 -87.59 103.59 78.85 2.67 18.48 41.76 20.58 17.03 9.09 8.83 0.01 1.21 1.48 35 R C C 136.92 5.53 12.52 19.54 111.97 -160.65 -86.81 127.03 80.94 3.09 15.98 51.41 15.95 13.56 8.41 7.51 0.00 1.52 1.64 36 R C C 149.76 5.01 11.75 18.29 106.61 -129.44 -83.25 103.14 79.72 2.84 17.44 48.62 17.75 13.40 9.80 7.57 0.01 1.41 1.45 37 E C C 117.34 4.95 10.85 17.44 112.29 -159.47 -92.59 127.89 81.03 2.46 16.51 48.48 19.12 13.42 9.73 6.71 0.01 1.15 1.39 38 K C C 150.27 2.89 12.18 16.63 107.75 -113.40 -76.41 113.15 80.65 1.63 17.72 40.22 18.21 22.70 10.77 6.39 0.01 0.71 0.98 39 G C C 51.18 4.10 13.71 19.04 104.70 19.09 79.26 -4.70 80.72 1.20 18.07 32.39 23.68 25.49 10.76 6.38 0.01 0.47 0.81 40 E C C 97.56 8.20 13.84 23.04 107.17 82.62 -85.55 87.14 71.90 2.05 26.04 38.92 21.40 12.09 20.28 5.34 0.02 0.82 1.14 41 A C C 42.16 11.20 15.81 27.69 108.56 -117.79 -81.32 121.74 66.14 2.36 31.50 47.97 11.02 6.32 29.42 3.21 0.01 1.07 0.98 42 T H H 46.24 10.82 19.63 30.96 108.19 -133.97 -77.62 -32.58 48.47 2.04 49.48 36.33 6.82 5.34 47.94 1.91 0.01 0.91 0.74 43 C H H 22.49 19.97 17.81 36.60 94.60 -67.71 -65.53 -38.58 17.60 0.50 81.90 10.10 3.60 4.10 80.82 0.96 0.01 0.22 0.18 44 I H H 61.29 11.96 21.35 33.22 92.52 52.46 -65.21 -41.11 2.82 0.05 97.13 1.37 0.38 0.97 96.95 0.31 0.00 0.02 0.01 45 T H H 59.48 6.35 23.75 30.29 92.14 50.80 -65.35 -41.28 0.87 0.01 99.12 0.43 0.09 0.31 98.98 0.17 0.00 0.00 0.00 46 E H H 25.53 17.80 20.68 38.15 92.19 50.48 -64.72 -42.23 0.28 0.00 99.72 0.09 0.02 0.12 99.69 0.07 0.00 0.00 0.00 47 M H H 21.41 20.09 20.56 39.91 91.78 50.73 -63.65 -41.44 0.13 0.00 99.87 0.03 0.01 0.06 99.87 0.03 0.00 0.00 0.00 48 S H H 47.27 7.10 24.30 31.83 91.40 51.75 -63.61 -41.12 0.09 0.00 99.91 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 49 M H H 62.04 10.01 23.93 34.22 91.70 50.13 -64.67 -41.96 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 50 M H H 9.63 22.71 20.05 42.35 91.52 50.45 -63.78 -42.59 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 51 M H H 50.69 13.77 22.31 35.88 91.34 50.41 -63.26 -41.66 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.01 0.00 0.00 0.00 52 A H H 45.35 4.26 23.93 28.12 91.38 51.34 -63.50 -41.56 0.23 0.00 99.77 0.01 0.01 0.16 99.76 0.05 0.00 0.00 0.00 53 C H H 13.41 13.58 18.00 33.24 91.32 50.40 -64.13 -41.54 0.66 0.00 99.34 0.04 0.03 0.51 99.27 0.15 0.00 0.00 0.00 54 W H H 36.02 17.80 15.13 32.91 92.11 51.64 -64.63 -40.15 1.73 0.01 98.26 0.23 0.15 1.23 97.91 0.48 0.00 0.00 0.00 55 K H H 125.32 4.09 18.21 23.20 91.96 52.85 -65.06 -37.47 4.85 0.01 95.13 0.41 0.34 3.98 94.55 0.70 0.01 0.00 0.01 56 Q H H 116.14 2.95 17.40 20.52 95.44 46.58 -80.65 -24.67 14.51 0.03 85.45 0.86 1.20 12.41 84.63 0.84 0.02 0.01 0.02 57 N C T 61.88 10.56 12.51 24.00 101.82 29.93 -106.84 19.53 66.54 0.48 32.98 7.71 10.28 46.95 32.73 1.78 0.04 0.14 0.37 58 E C T 122.59 4.47 18.36 23.72 96.13 -120.46 56.94 38.39 91.66 0.45 7.89 23.90 9.34 59.17 4.51 2.60 0.00 0.21 0.27 59 F C C 61.63 17.06 12.58 29.11 94.82 -74.64 62.23 32.21 89.72 1.40 8.89 54.23 14.75 21.04 4.10 4.23 0.00 0.57 1.08 60 R C C 127.98 4.38 18.44 23.73 109.41 144.67 -91.09 109.84 94.10 0.99 4.91 78.97 9.28 5.93 2.58 2.04 0.00 0.39 0.83 61 D C H 68.29 12.61 12.30 24.95 97.39 -168.67 -70.29 -29.78 51.99 0.96 47.05 22.31 18.10 13.47 32.77 12.26 0.05 0.33 0.71 62 E H H 142.69 1.44 18.43 18.99 92.73 59.07 -65.09 -35.57 22.09 0.11 77.80 1.80 2.35 15.81 44.43 35.40 0.09 0.05 0.07 63 A H H 47.80 7.50 16.16 24.97 92.35 52.50 -70.10 -30.94 20.15 0.07 79.77 1.02 1.47 15.69 47.88 33.76 0.10 0.04 0.05 64 C H H 9.85 20.43 10.65 30.98 97.39 45.22 -94.81 -6.82 24.25 0.10 75.64 1.95 1.85 18.30 48.31 29.43 0.04 0.05 0.07 65 R H H 115.23 7.11 17.39 25.97 91.85 90.47 -59.55 -41.69 1.42 0.00 98.58 0.54 0.15 0.56 98.38 0.38 0.00 0.00 0.00 66 K H H 131.41 1.61 22.49 22.31 91.79 50.24 -64.37 -40.39 0.36 0.00 99.64 0.06 0.02 0.20 99.52 0.20 0.00 0.00 0.00 67 E H H 34.92 14.87 18.36 33.55 92.00 49.60 -65.26 -41.58 0.18 0.00 99.82 0.03 0.01 0.10 99.68 0.18 0.00 0.00 0.00 68 I H H 22.43 17.89 17.67 35.56 91.73 50.50 -63.33 -42.31 0.10 0.00 99.90 0.02 0.00 0.05 99.89 0.04 0.00 0.00 0.00 69 Q H H 98.37 2.92 23.97 26.09 91.44 50.49 -63.67 -41.60 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 70 D H H 60.26 6.34 22.45 29.17 91.68 49.92 -64.45 -41.56 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 71 F H H 13.99 20.96 17.62 38.58 91.82 50.30 -63.79 -42.83 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 F H H 81.49 10.15 21.98 32.30 91.44 49.91 -63.71 -41.39 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 73 D H H 83.11 2.36 24.95 25.81 91.58 49.87 -64.33 -41.58 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 74 C H H 17.78 13.52 19.68 34.35 91.73 49.78 -63.87 -42.85 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 75 S H H 16.78 15.89 18.79 35.04 91.69 49.81 -63.52 -42.30 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 76 S H H 56.62 3.18 23.11 25.59 91.57 50.50 -63.89 -41.78 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 77 R H H 119.27 3.94 22.53 26.33 91.98 49.11 -65.05 -41.19 0.24 0.00 99.76 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 78 A H H 15.55 15.00 16.31 32.25 91.98 50.88 -63.88 -41.64 0.34 0.00 99.66 0.04 0.02 0.20 99.69 0.05 0.00 0.00 0.00 79 Q H H 84.37 5.88 20.55 27.00 91.93 50.60 -64.41 -41.01 0.48 0.00 99.51 0.07 0.03 0.28 99.55 0.07 0.00 0.00 0.00 80 E H H 103.05 2.23 21.21 22.17 91.78 49.86 -64.87 -41.50 0.61 0.00 99.39 0.09 0.04 0.35 99.43 0.09 0.00 0.00 0.00 81 A H H 30.96 8.15 16.17 26.31 92.00 50.93 -64.63 -40.43 0.94 0.00 99.06 0.16 0.07 0.53 99.09 0.15 0.00 0.00 0.00 82 R H H 105.00 7.32 17.06 25.43 92.10 51.42 -64.76 -40.35 1.60 0.00 98.39 0.30 0.12 0.95 98.31 0.31 0.00 0.00 0.00 83 K H H 120.22 2.10 18.67 20.06 92.09 50.59 -65.14 -40.44 3.14 0.02 96.85 0.64 0.27 1.92 96.63 0.52 0.00 0.01 0.00 84 M H H 91.78 3.95 16.58 21.31 92.52 49.80 -66.42 -39.12 6.20 0.04 93.76 1.60 0.73 3.57 93.18 0.88 0.01 0.02 0.02 85 R H H 107.98 6.88 14.75 22.90 92.53 52.86 -65.41 -39.55 9.94 0.11 89.95 3.70 1.45 4.79 88.27 1.68 0.01 0.05 0.05 86 S H H 60.68 2.92 15.86 19.19 92.59 51.78 -65.64 -39.40 16.29 0.22 83.49 6.91 2.27 7.36 80.64 2.60 0.01 0.11 0.10 87 I H H 94.70 2.74 14.95 18.01 93.04 49.96 -67.72 -38.64 19.93 0.38 79.69 9.49 3.30 7.95 75.65 3.25 0.02 0.18 0.15 88 Q H H 84.77 6.01 11.97 19.63 93.67 52.13 -68.87 -34.74 23.87 0.52 75.61 12.90 4.01 8.13 70.71 3.76 0.02 0.25 0.22 89 E H H 120.45 3.60 12.25 17.28 94.12 57.29 -68.14 -33.27 29.29 0.57 70.14 14.19 4.68 11.46 63.57 5.53 0.03 0.30 0.24 90 S H H 87.75 1.40 12.54 13.99 95.15 54.02 -75.34 -19.42 38.98 0.75 60.27 14.70 6.66 18.96 53.04 5.85 0.05 0.36 0.37 91 L C H 110.36 3.28 10.23 14.97 100.55 55.41 -88.03 -2.46 60.74 0.89 38.38 16.14 16.06 29.57 31.93 5.29 0.08 0.34 0.59 92 G C T 50.09 2.53 12.26 15.95 113.53 -111.71 85.95 -175.14 91.19 0.66 8.15 34.23 20.61 36.96 3.78 3.73 0.00 0.29 0.40 93 Q C C 132.19 3.18 11.07 15.88 108.25 -33.70 -86.10 92.86 91.27 1.43 7.29 58.24 17.13 15.80 2.10 5.19 0.00 0.71 0.83 94 S C C 72.01 5.06 10.79 17.57 112.43 151.01 -94.93 131.91 91.18 2.14 6.68 59.88 17.60 13.42 1.62 5.24 0.00 1.12 1.12 95 E C C 120.03 5.29 12.65 19.40 112.31 -146.37 -94.49 122.26 91.66 3.11 5.23 56.91 21.84 12.68 1.06 4.47 0.00 1.71 1.34 96 S C C 72.52 5.79 14.32 21.62 116.97 -141.18 -98.61 132.56 93.05 4.36 2.59 66.66 21.03 5.26 0.76 1.85 0.00 2.20 2.23 97 L C C 36.87 17.13 9.58 26.19 116.43 -128.31 -88.78 136.70 95.57 4.04 0.39 82.18 12.45 0.37 0.24 0.14 0.00 1.27 3.35 98 S C C 52.73 3.32 18.74 22.12 118.07 -115.21 -71.68 155.76 99.54 0.25 0.20 99.06 0.54 0.06 0.14 0.01 0.00 0.07 0.11 99 P H H 80.35 8.42 12.62 22.30 91.72 -108.88 -58.08 -37.31 2.08 0.00 97.91 0.29 0.19 1.37 97.51 0.64 0.00 0.00 0.00 100 H H H 136.25 1.63 17.16 18.29 92.31 53.38 -64.34 -39.57 1.21 0.00 98.79 0.11 0.07 0.91 98.17 0.73 0.00 0.00 0.00 101 K H H 79.59 7.67 16.78 25.52 92.08 48.96 -65.67 -40.62 0.51 0.00 99.49 0.07 0.03 0.35 98.95 0.60 0.00 0.00 0.00 102 M H H 26.06 17.38 14.22 31.92 91.59 50.80 -63.55 -42.93 0.17 0.00 99.83 0.02 0.01 0.10 99.76 0.11 0.00 0.00 0.00 103 T H H 52.27 7.65 18.11 26.77 91.63 50.41 -64.09 -40.79 0.20 0.00 99.80 0.02 0.01 0.13 99.74 0.11 0.00 0.00 0.00 104 K H H 108.49 2.75 20.52 22.72 92.01 50.55 -64.71 -41.60 0.22 0.00 99.78 0.01 0.01 0.18 99.60 0.20 0.00 0.00 0.00 105 L H H 32.29 13.06 16.70 30.73 91.80 50.22 -63.92 -42.62 0.41 0.00 99.59 0.02 0.01 0.35 99.22 0.40 0.00 0.00 0.00 106 L H H 38.54 16.13 14.91 31.19 91.58 50.85 -65.58 -35.22 2.90 0.00 97.10 0.08 0.09 2.74 95.10 1.98 0.00 0.00 0.00 107 Q H H 116.22 4.03 17.03 21.96 91.85 56.36 -67.23 -27.53 29.16 0.01 70.82 0.39 0.61 28.98 66.22 3.76 0.01 0.01 0.01 108 R H H 137.42 4.54 17.07 22.18 93.80 55.92 -75.54 -24.11 47.14 0.05 52.81 1.19 3.05 42.56 49.57 3.52 0.03 0.02 0.05 109 F C S 74.94 12.04 13.28 25.84 108.54 35.36 -121.61 71.28 95.65 0.63 3.72 22.62 69.80 2.99 3.35 0.49 0.00 0.15 0.59 110 P C C 56.73 11.32 12.52 24.74 114.43 130.33 -71.64 144.86 94.58 1.18 4.24 75.02 8.88 10.83 1.72 2.24 0.00 0.57 0.74 111 N C C 95.03 6.26 13.81 21.47 110.17 -129.80 -88.84 116.09 92.86 2.49 4.65 70.25 12.34 10.06 1.72 2.79 0.00 1.13 1.71 112 K C C 118.76 7.41 11.23 20.04 110.22 -153.69 -76.75 121.03 86.45 2.66 10.89 63.80 11.75 10.64 2.99 8.13 0.00 1.57 1.12 113 S C C 82.81 3.20 11.23 15.97 101.82 -129.98 -85.80 -0.21 86.03 3.23 10.75 52.67 18.66 14.81 2.25 8.60 0.00 2.09 0.91 114 H C C 123.24 4.51 10.17 16.41 114.87 80.64 -101.36 127.29 76.60 11.63 11.77 49.76 15.44 11.96 2.61 9.13 0.01 8.96 2.14 115 L C C 105.13 5.88 9.66 17.14 112.03 -152.83 -94.32 119.55 79.51 16.40 4.10 73.28 2.76 3.53 1.64 1.91 0.00 13.06 3.82 116 I C C 96.09 7.72 11.56 20.49 113.60 -165.37 -101.49 123.02 99.40 0.58 0.02 99.37 0.13 0.05 0.01 0.00 0.00 0.41 0.03