# 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 102.60 8.34 13.60 22.96 113.77 -161.09 -93.69 125.30 99.61 0.36 0.03 99.52 0.16 0.06 0.01 0.00 0.00 0.19 0.05 1 L C C 108.10 5.76 11.54 18.86 111.61 -155.37 -89.84 123.40 85.00 7.36 7.64 75.36 2.14 7.81 3.95 2.99 0.00 5.00 2.74 2 G C C 47.57 5.44 11.95 18.86 114.46 -131.57 -94.41 153.18 82.60 7.91 9.49 47.05 16.46 20.01 3.67 5.38 0.02 5.05 2.36 3 G C C 46.50 5.69 13.26 20.22 116.33 -91.74 -62.22 155.09 79.46 8.38 12.16 47.80 18.31 13.73 6.40 5.73 0.02 5.30 2.72 4 L C C 94.40 8.71 12.31 21.97 112.69 -82.69 -89.08 128.17 74.12 8.05 17.83 53.07 15.00 5.57 14.70 3.92 0.02 4.54 3.18 5 R C C 125.66 7.67 14.56 23.35 116.06 -147.61 -92.09 135.14 69.79 3.47 26.74 55.74 9.47 3.68 25.85 2.27 0.00 2.06 0.92 6 P C H 76.05 8.76 14.87 24.52 109.07 -111.82 -69.78 135.45 49.82 3.49 46.68 40.41 4.62 5.36 42.43 3.92 0.00 2.51 0.73 7 L H H 80.53 10.31 14.68 25.56 110.67 -126.86 -82.59 131.85 35.27 3.93 60.80 26.26 5.02 6.02 52.76 6.10 0.03 3.03 0.79 8 A H H 51.08 9.61 15.26 25.71 109.61 -126.87 -79.11 136.85 27.65 3.46 68.89 19.14 4.73 6.18 58.80 7.68 0.04 2.74 0.68 9 A H H 55.48 8.61 15.40 24.86 109.66 -129.47 -82.64 111.49 26.11 3.04 70.86 15.80 5.14 7.46 59.45 9.10 0.07 2.33 0.65 10 A H H 56.77 8.34 15.64 24.79 106.30 -105.28 -78.41 103.93 30.04 3.61 66.35 17.05 5.62 9.41 55.88 8.37 0.10 2.77 0.79 11 T H H 67.46 9.37 14.74 24.85 108.79 51.49 -91.10 94.40 36.92 6.11 56.98 21.20 6.47 11.03 47.82 7.41 0.11 4.68 1.27 12 R H H 124.57 8.52 14.27 23.65 106.29 -138.73 -83.81 76.67 41.40 9.63 48.98 24.19 7.55 11.46 40.73 6.71 0.15 7.25 1.96 13 R C H 142.65 5.61 14.69 21.52 105.85 52.62 -88.07 32.89 50.75 10.17 39.08 26.92 9.32 15.03 32.48 6.29 0.13 7.84 1.98 14 T C C 80.75 6.92 13.55 21.60 112.16 49.36 -96.60 117.68 59.96 11.27 28.77 29.87 12.17 18.43 22.72 6.00 0.15 8.08 2.58 15 V C C 86.75 8.12 12.37 21.50 110.66 -155.87 -92.31 114.86 72.12 9.27 18.62 33.97 18.63 20.41 12.70 5.64 0.11 5.86 2.67 16 G C C 48.66 5.44 14.52 21.12 112.06 -122.57 -75.76 133.34 80.18 5.16 14.66 33.24 17.99 30.08 6.93 7.02 0.03 3.14 1.59 17 G C C 47.57 6.24 14.65 21.91 111.59 -51.83 -102.03 109.68 75.03 7.18 17.79 33.68 20.11 22.43 7.75 9.37 0.05 4.45 2.17 18 A C C 61.81 8.85 13.82 23.48 114.16 -113.58 -94.44 129.59 66.94 13.90 19.16 40.79 14.62 12.04 9.49 9.77 0.07 9.83 3.40 19 L C C 92.98 8.88 14.72 24.45 112.66 -148.88 -93.76 123.78 59.76 21.88 18.35 36.94 13.42 9.92 10.84 7.87 0.15 16.41 4.44 20 V C C 76.52 10.63 14.43 25.63 114.25 -171.13 -99.33 127.86 59.44 22.13 18.44 37.42 14.66 7.51 13.40 5.86 0.20 16.59 4.34 21 S C C 56.03 9.51 16.66 26.84 118.52 -154.99 -101.09 141.46 58.69 16.76 24.55 38.87 13.44 6.36 17.93 7.16 0.11 13.75 2.37 22 P C C 70.31 10.88 16.80 28.00 114.07 -118.10 -77.38 138.26 46.56 18.48 34.96 30.97 7.76 7.84 22.27 12.65 0.09 16.52 1.89 23 A C E 49.10 12.83 15.40 28.33 115.70 -135.24 -91.66 131.80 38.38 26.78 34.84 23.71 7.33 8.32 21.60 12.75 0.16 23.81 2.32 24 L C E 76.85 11.45 16.05 27.96 115.72 -147.70 -101.46 126.04 35.51 33.52 30.97 20.93 7.66 8.43 20.84 10.35 0.29 28.45 3.05 25 I C C 78.47 11.62 15.67 27.74 117.75 -158.52 -105.66 128.33 48.56 31.87 19.57 29.11 11.95 8.23 14.51 5.87 0.32 26.13 3.90 26 T C C 63.68 10.28 16.70 27.58 119.30 -159.77 -108.98 135.18 73.06 20.13 6.81 43.98 22.67 6.62 4.56 2.58 0.05 17.09 2.45 27 P C C 63.68 11.92 15.74 27.85 109.21 -125.79 -75.66 136.48 73.97 14.45 11.58 40.54 20.16 13.68 6.88 4.61 0.04 12.25 1.83 28 S C C 61.55 9.82 17.47 27.44 109.27 -149.60 -93.82 72.58 65.18 20.29 14.54 35.40 18.70 12.39 7.76 6.32 0.11 16.73 2.58 29 R C C 96.46 12.68 17.66 30.09 111.56 123.13 -96.53 112.06 53.40 30.65 15.95 32.76 12.96 9.00 9.14 6.57 0.12 26.70 2.76 30 A C E 46.70 13.01 19.52 32.13 113.96 -136.60 -96.56 126.76 45.08 41.39 13.53 32.51 7.45 5.54 8.49 5.27 0.06 37.90 2.79 31 L E E 31.40 20.07 17.02 36.30 118.34 -163.73 -104.37 130.69 41.27 47.49 11.24 30.10 7.16 4.54 7.75 4.03 0.06 43.60 2.75 32 S E E 44.16 11.64 22.39 33.85 120.74 -163.74 -107.87 141.02 44.38 46.76 8.86 32.42 7.59 4.57 5.89 3.23 0.05 43.83 2.43 33 V C C 35.97 18.84 16.05 34.08 113.40 -155.04 -100.30 123.52 52.47 37.26 10.27 35.34 11.23 6.09 6.89 3.61 0.10 34.08 2.68 34 R C C 113.54 9.58 19.44 29.06 106.46 -147.17 -91.29 70.39 67.26 22.81 9.94 42.33 16.04 8.76 6.31 3.75 0.05 20.41 2.35 35 T C C 48.49 13.22 15.82 29.10 115.85 102.39 -100.81 136.43 68.85 13.12 18.02 42.54 16.59 10.01 11.94 6.32 0.06 9.89 2.65 36 E C T 108.68 8.45 17.89 26.76 98.26 -133.33 -73.20 -21.84 65.46 5.79 28.76 20.62 19.26 26.56 17.30 10.50 0.17 3.97 1.60 37 D C C 70.36 9.91 18.81 28.79 101.35 56.18 -82.87 18.03 66.36 5.85 27.78 27.61 14.70 25.06 15.83 11.25 0.10 3.76 1.69 38 F C T 37.63 18.75 16.96 34.71 97.56 98.71 -75.37 -24.94 60.34 9.28 30.38 23.87 13.24 24.42 18.10 11.49 0.22 5.98 2.68 39 F C C 49.59 17.59 17.40 34.08 102.08 54.79 -92.90 3.96 63.33 10.19 26.48 25.80 15.45 23.59 16.87 8.62 0.32 6.46 2.88 40 S C C 37.74 10.14 18.29 29.16 118.07 101.62 -87.63 151.58 72.70 5.70 21.60 36.93 30.37 5.88 18.80 3.08 0.04 2.81 2.09 41 K H H 126.78 6.41 17.69 25.32 93.57 -102.85 -62.50 -34.95 21.50 1.43 77.07 6.72 5.38 11.54 68.14 6.54 0.25 0.99 0.45 42 E H H 99.69 6.19 20.85 27.40 93.09 52.62 -67.60 -38.75 18.93 3.19 77.89 6.16 3.45 10.46 68.52 7.63 0.29 2.88 0.62 43 A H H 12.28 18.91 16.93 35.69 94.15 49.96 -67.11 -40.13 16.93 6.58 76.50 7.89 3.16 7.26 66.92 7.46 0.17 6.38 0.76 44 V H H 27.09 17.81 18.64 35.79 94.01 51.12 -66.79 -40.35 16.93 11.56 71.51 9.46 3.26 5.71 64.27 5.15 0.15 10.95 1.03 45 S H H 52.21 6.86 23.43 30.33 93.63 54.32 -66.88 -38.79 25.95 11.05 63.00 12.43 4.32 10.18 56.56 5.01 0.14 10.35 1.01 46 H H H 62.58 12.60 21.64 34.03 94.19 51.39 -72.26 -32.21 33.06 10.93 56.01 14.08 6.00 13.92 49.38 5.35 0.20 9.96 1.10 47 A H H 13.05 21.79 17.47 38.46 95.19 65.87 -69.42 -31.67 33.98 13.42 52.60 20.32 6.34 8.58 45.59 5.78 0.11 11.93 1.37 48 R H H 99.62 12.53 22.65 34.30 97.02 66.67 -71.54 -26.78 32.39 20.40 47.22 18.68 5.77 8.57 40.21 6.24 0.17 18.55 1.81 49 R H H 101.87 11.08 22.67 33.12 99.90 56.33 -79.02 -12.67 29.59 26.42 43.99 17.56 5.19 7.34 37.11 6.53 0.19 23.88 2.20 50 V H H 33.11 18.63 19.04 36.38 101.87 71.58 -82.58 -13.20 32.71 27.43 39.86 18.92 6.18 8.32 32.43 7.21 0.26 24.23 2.45 51 S C C 37.64 15.43 20.60 34.93 104.39 62.60 -89.10 18.29 46.33 23.39 30.27 24.44 8.53 13.77 23.98 6.66 0.25 19.73 2.65 52 W C C 90.37 14.59 19.67 33.61 103.89 68.37 -94.82 10.39 62.69 18.64 18.66 32.43 17.64 13.87 13.29 5.36 0.20 13.51 3.70 53 A C C 34.70 13.53 18.84 32.71 118.72 117.55 -93.35 139.74 86.44 10.34 3.22 52.58 30.95 3.61 1.97 1.28 0.00 7.39 2.22 54 P C C 58.13 12.98 18.74 31.50 108.27 -104.65 -69.12 138.66 88.31 5.15 6.53 56.46 19.22 12.94 2.70 3.67 0.00 3.72 1.28 55 H C C 72.76 14.09 16.49 30.27 109.84 -133.80 -93.22 109.88 83.90 7.53 8.57 57.52 13.84 12.34 4.22 4.31 0.02 4.22 3.53 56 T C C 61.93 11.94 15.49 27.59 106.06 157.10 -98.56 36.19 86.91 5.07 8.02 53.98 25.46 7.73 4.52 3.41 0.01 2.64 2.26 57 T C C 59.63 5.94 16.87 23.83 121.89 105.44 -97.75 161.45 85.26 5.45 9.29 44.17 38.90 2.69 8.16 1.38 0.01 1.75 2.93 58 E H H 128.60 5.31 15.10 22.04 92.60 -111.10 -60.54 -36.01 12.23 0.38 87.38 4.40 3.16 5.73 82.64 3.69 0.05 0.21 0.13 59 K H H 127.29 3.83 18.64 23.26 92.29 53.60 -65.58 -38.82 10.00 0.41 89.58 3.40 1.58 5.54 84.78 4.25 0.04 0.29 0.11 60 K H H 45.17 16.33 17.07 33.02 92.96 48.75 -67.46 -39.14 7.10 0.58 92.33 3.45 1.19 3.23 86.99 4.53 0.02 0.46 0.12 61 V H H 32.54 17.46 18.99 35.85 92.02 53.11 -63.16 -42.44 2.95 0.18 96.87 1.57 0.48 1.17 95.73 0.91 0.00 0.11 0.03 62 G H H 26.16 7.26 23.80 31.72 92.00 51.34 -63.63 -41.99 2.52 0.08 97.40 1.04 0.30 1.22 96.92 0.44 0.00 0.04 0.02 63 A H H 22.16 10.92 23.94 35.79 91.73 50.25 -64.34 -42.46 1.40 0.06 98.54 0.60 0.18 0.67 98.17 0.33 0.00 0.04 0.01 64 F H H 11.59 22.93 22.43 44.69 91.66 49.64 -64.02 -43.07 0.86 0.04 99.10 0.34 0.10 0.43 98.86 0.24 0.00 0.02 0.01 65 A H H 16.99 17.35 23.09 39.99 91.53 50.93 -63.17 -42.41 0.82 0.03 99.15 0.30 0.09 0.44 98.91 0.23 0.00 0.02 0.01 66 K H H 102.68 5.43 27.18 33.14 91.70 50.20 -64.48 -41.62 1.26 0.04 98.70 0.34 0.12 0.82 98.36 0.33 0.00 0.02 0.01 67 L H H 24.86 15.56 22.89 38.52 91.87 49.59 -64.96 -42.14 2.27 0.05 97.69 0.49 0.21 1.61 97.04 0.59 0.01 0.03 0.01 68 S H H 7.77 21.60 18.90 40.34 92.06 51.10 -64.42 -41.42 5.31 0.13 94.56 1.21 0.58 3.69 93.08 1.29 0.03 0.07 0.05 69 R H H 96.80 10.82 21.09 31.80 92.56 51.08 -65.89 -37.82 10.05 0.23 89.72 1.83 1.09 7.35 85.59 3.82 0.09 0.13 0.11 70 S H H 58.24 6.10 21.27 27.61 93.10 52.19 -69.83 -30.84 20.23 0.19 79.58 1.99 1.70 16.44 75.26 4.32 0.09 0.09 0.11 71 N H H 50.34 14.36 16.96 31.05 98.65 45.94 -89.87 -16.68 37.36 0.37 62.27 3.89 3.83 29.18 59.00 3.63 0.09 0.17 0.21 72 F C H 54.20 16.56 13.63 29.61 104.22 54.39 -100.82 10.04 64.89 3.13 31.98 22.60 17.86 26.21 26.71 3.51 0.14 1.14 1.82 73 N C C 119.44 3.10 18.34 22.28 100.26 -133.96 4.72 35.66 94.50 2.12 3.37 50.24 18.05 26.65 1.59 1.41 0.00 1.07 0.98 74 D C C 67.16 9.76 14.12 24.86 120.77 106.44 -104.93 138.08 97.45 2.15 0.40 62.59 33.63 1.51 0.13 0.24 0.00 1.13 0.77 75 P C C 75.22 7.35 18.07 26.12 113.26 -103.15 -68.82 148.41 94.92 4.52 0.56 78.35 14.44 2.10 0.19 0.38 0.00 2.69 1.85 76 L C C 55.99 16.99 13.90 30.20 115.99 -113.73 -82.29 137.97 88.35 11.16 0.50 78.63 8.90 0.59 0.28 0.24 0.00 6.67 4.69 77 P C C 35.90 13.62 14.16 28.75 112.40 -105.88 -65.27 146.60 85.79 9.28 4.93 81.37 2.87 1.85 2.11 2.40 0.00 6.54 2.86 78 V H G 107.05 3.71 16.41 21.32 94.88 -127.81 -65.02 -31.28 43.46 3.33 53.21 15.94 9.34 19.98 11.04 40.57 0.05 2.02 1.06 79 S H G 65.54 4.66 16.90 22.32 95.86 56.88 -73.08 -12.92 40.21 2.28 57.51 13.39 7.62 20.26 12.42 44.19 0.03 1.38 0.73 80 F H G 25.39 20.02 9.55 28.60 96.79 72.13 -82.90 -8.20 33.22 1.77 65.01 18.74 6.09 9.44 12.97 51.20 0.00 1.09 0.47 81 Q C T 104.21 8.13 14.46 23.82 94.00 82.04 -67.39 -24.99 55.83 1.47 42.70 12.53 8.66 34.36 11.06 31.76 0.03 0.81 0.79 82 S C T 91.80 1.27 16.56 16.98 96.29 53.18 -89.47 -1.53 65.07 0.87 34.07 10.21 11.96 42.92 7.09 26.75 0.02 0.43 0.61 83 E C C 53.14 13.86 9.19 23.35 116.46 104.89 -85.81 136.25 94.67 0.92 4.41 48.07 44.54 1.89 3.68 0.77 0.00 0.24 0.81 84 P C T 91.07 2.99 17.26 20.62 94.78 -124.30 -62.27 -27.76 61.43 0.40 38.17 9.82 6.36 43.95 34.91 4.51 0.02 0.19 0.23 85 Y C H 78.81 10.80 15.72 27.38 95.71 53.97 -76.77 -16.42 50.37 0.78 48.85 10.58 4.93 34.77 43.93 4.90 0.06 0.42 0.40 86 F H H 23.44 19.54 13.73 33.03 93.85 73.48 -65.70 -39.71 9.67 0.49 89.84 7.01 1.41 2.48 85.89 2.75 0.01 0.35 0.11 87 E H H 94.69 8.05 19.40 28.01 92.25 54.82 -64.51 -40.96 2.16 0.35 97.49 1.29 0.34 0.82 96.04 1.14 0.00 0.33 0.03 88 E H H 103.07 3.16 22.18 24.69 92.37 50.22 -66.38 -40.63 1.07 0.29 98.64 0.59 0.17 0.47 97.58 0.88 0.00 0.29 0.02 89 E H H 43.81 14.23 19.02 33.34 92.71 50.00 -65.94 -41.01 0.85 0.22 98.93 0.43 0.12 0.41 98.16 0.65 0.00 0.22 0.01 90 I H H 16.19 19.81 17.11 36.86 92.20 50.12 -64.37 -42.53 0.97 0.23 98.79 0.43 0.13 0.50 98.12 0.56 0.00 0.23 0.02 91 E H H 91.43 5.33 21.79 27.48 91.77 51.08 -63.88 -40.65 1.64 0.23 98.13 0.53 0.17 1.01 97.35 0.69 0.00 0.23 0.02 92 A H H 41.03 5.66 20.00 26.73 92.27 51.47 -64.91 -40.31 4.57 0.21 95.22 0.89 0.38 3.38 94.06 1.05 0.02 0.18 0.04 93 Y H H 40.69 16.03 16.51 32.61 93.73 49.46 -69.10 -37.15 12.04 0.38 87.58 2.58 1.24 8.50 85.71 1.56 0.05 0.24 0.13 94 R H H 81.57 14.25 15.19 29.14 93.44 57.55 -66.26 -34.11 25.67 0.98 73.35 7.18 3.17 16.07 69.89 2.61 0.11 0.55 0.43 95 A H H 75.52 3.22 17.58 21.31 93.98 57.47 -71.88 -24.20 44.25 0.93 54.81 7.20 4.90 31.95 51.80 3.14 0.09 0.49 0.42 96 H C H 114.74 5.04 16.13 22.13 101.92 38.97 -100.59 -5.59 57.65 1.64 40.70 12.32 9.59 35.67 37.59 3.23 0.09 0.81 0.70 97 H C C 71.07 13.68 12.87 26.49 117.05 69.82 -106.91 131.18 81.62 5.81 12.57 46.95 23.10 11.24 10.81 2.37 0.02 2.76 2.76 98 R C C 126.19 7.61 18.04 26.59 115.65 -148.62 -100.95 128.15 94.12 4.58 1.30 74.74 17.56 1.89 0.91 0.46 0.00 3.16 1.26 99 P C C 45.66 16.05 15.14 30.72 111.20 -115.80 -69.33 145.92 88.10 4.66 7.24 67.46 11.49 9.05 4.37 2.91 0.00 3.57 1.15 100 D C C 70.62 10.71 20.25 30.86 104.59 -138.36 -85.33 81.66 69.01 17.60 13.39 43.21 16.20 9.86 8.72 4.72 0.04 14.86 2.39 101 V C E 29.85 17.92 16.83 34.39 112.27 106.93 -97.91 116.93 43.47 38.47 18.06 31.33 7.72 4.44 14.02 4.75 0.10 34.99 2.64 102 Y E E 72.76 12.68 21.49 34.11 111.01 -147.26 -88.35 120.06 35.35 46.89 17.76 27.74 3.83 3.13 14.00 4.27 0.05 45.04 1.95 103 V E E 27.93 20.12 17.05 36.12 99.66 68.97 -76.91 -27.59 29.27 48.62 22.12 21.24 4.56 4.03 16.65 5.65 0.08 46.16 1.64 104 Y E E 89.68 12.40 18.91 31.20 101.15 64.65 -80.31 -18.55 30.70 50.02 19.27 20.47 5.94 5.68 12.71 6.08 0.15 47.44 1.53 105 K E E 104.03 9.11 19.91 29.02 103.11 57.75 -90.13 0.28 33.96 49.53 16.52 22.62 6.50 6.35 9.43 6.26 0.10 47.21 1.53 106 Y E E 53.21 18.21 14.56 31.98 118.48 98.64 -108.19 137.72 38.55 52.40 9.06 27.32 7.19 5.03 5.49 3.54 0.07 49.30 2.06 107 N E E 82.55 8.26 21.35 30.01 115.95 -151.55 -103.71 123.49 42.53 53.09 4.38 32.69 6.22 3.75 2.57 1.94 0.02 50.20 2.60 108 V C C 37.19 19.12 14.03 32.44 116.86 -162.07 -104.53 126.33 56.89 40.76 2.35 42.64 11.62 2.54 1.45 1.16 0.03 36.30 4.26 109 S C C 41.68 8.66 17.96 27.73 124.14 -161.48 -100.14 154.65 84.55 14.08 1.37 68.64 13.60 1.88 0.76 0.66 0.00 12.83 1.65 110 P C C 77.26 9.35 14.76 24.95 99.05 -106.51 -67.15 -11.75 77.76 6.00 16.24 33.20 20.44 24.99 9.10 6.48 0.04 4.48 1.27 111 T C C 73.69 7.66 15.16 23.85 111.10 66.13 -95.54 110.86 73.45 6.55 20.00 31.82 18.29 24.51 11.02 8.15 0.06 4.44 1.71 112 H C C 95.64 9.77 14.90 25.44 112.25 -125.31 -90.74 124.57 61.41 11.20 27.39 41.04 10.71 9.67 14.91 12.78 0.05 8.13 2.71 113 L C C 63.03 12.99 12.78 26.17 116.09 -147.35 -97.20 132.23 56.05 12.99 30.96 35.39 10.20 11.09 15.30 15.52 0.06 10.02 2.42 114 S C C 59.12 7.20 15.39 23.77 115.14 -150.97 -97.84 131.36 52.97 17.61 29.43 32.09 9.97 12.29 13.77 15.01 0.15 13.75 2.95 115 L C C 79.20 10.71 11.04 22.40 106.61 -143.01 -88.42 77.60 56.29 18.83 24.88 34.22 11.49 11.83 12.03 12.17 0.19 14.45 3.63 116 R C C 137.83 5.55 11.37 18.50 113.94 101.43 -93.78 130.31 75.72 12.90 11.38 65.30 2.83 7.61 6.98 3.74 0.00 10.51 3.03 117 E C C 133.77 3.87 13.53 19.05 109.49 -109.46 -77.74 128.06 99.69 0.24 0.07 99.49 0.17 0.12 0.04 0.01 0.00 0.14 0.03