# 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 K C C 147.19 2.82 13.62 17.86 113.77 -153.23 -96.88 123.01 99.56 0.43 0.02 99.53 0.13 0.03 0.01 0.00 0.00 0.26 0.04 1 I C C 99.42 7.19 8.87 17.51 117.61 -163.33 -104.26 130.20 86.33 12.35 1.32 85.47 0.82 0.86 0.58 0.43 0.00 9.10 2.74 2 R C C 153.69 3.21 10.49 15.58 115.91 -150.88 -96.90 130.73 81.77 16.28 1.95 73.15 4.90 3.05 0.73 1.14 0.00 13.28 3.75 3 T C C 94.39 4.77 9.61 16.28 115.70 -169.40 -106.60 132.06 87.07 11.19 1.74 68.49 14.26 3.96 0.59 1.29 0.00 7.96 3.45 4 S C C 55.14 5.38 9.73 17.04 121.27 -125.06 -99.47 144.78 95.78 3.20 1.02 74.05 20.24 1.60 0.42 0.56 0.00 1.84 1.29 5 P C C 99.23 3.60 10.82 15.95 98.16 -110.09 -65.49 -19.63 75.53 1.20 23.27 31.80 13.22 30.59 3.78 19.43 0.00 0.65 0.53 6 T C T 92.52 3.98 11.83 17.00 97.63 64.22 -82.44 -8.56 71.77 2.27 25.96 21.81 15.44 35.56 4.28 20.64 0.01 1.24 1.01 7 F C C 94.25 9.83 9.04 19.59 111.62 80.13 -92.99 113.33 68.60 5.70 25.71 34.20 18.73 16.57 4.45 20.56 0.02 3.01 2.45 8 R C C 152.40 2.98 13.27 17.71 116.94 -149.68 -96.31 137.17 84.45 5.50 10.05 57.98 19.50 6.83 4.01 5.88 0.00 2.86 2.93 9 R C C 133.33 6.69 11.13 19.49 115.48 -115.83 -81.50 136.64 95.90 2.25 1.85 72.56 21.99 1.32 1.31 0.57 0.00 1.01 1.24 10 P C C 57.09 9.64 9.71 20.61 112.20 -107.41 -65.42 148.65 84.14 1.88 13.97 72.64 4.61 7.12 8.65 5.00 0.00 1.02 0.96 11 K C C 159.23 1.59 13.22 15.20 94.95 -129.59 -70.28 -26.61 70.27 2.29 27.44 34.69 19.97 16.09 16.76 10.24 0.02 1.10 1.13 12 T C C 72.42 4.88 11.66 18.04 105.68 56.99 -91.11 17.72 62.22 4.96 32.82 32.82 17.27 12.90 20.52 11.71 0.06 2.78 1.94 13 L C C 81.97 7.13 10.61 19.17 98.86 68.36 -72.47 -26.23 54.67 5.50 39.83 34.58 11.97 8.35 25.04 14.82 0.04 3.62 1.57 14 R C C 137.26 3.89 12.98 18.18 97.35 74.94 -73.57 -23.63 52.42 7.55 40.03 34.53 9.18 8.48 24.40 16.09 0.04 5.44 1.84 15 L C C 81.64 7.60 10.21 19.21 100.23 70.28 -76.20 -15.06 49.46 8.75 41.79 32.84 8.49 8.43 21.56 20.30 0.05 6.32 2.00 16 R C C 153.76 3.45 12.03 16.90 98.28 74.04 -74.48 -19.03 59.62 7.84 32.54 33.16 12.86 13.99 16.85 15.59 0.09 5.25 2.22 17 R C C 155.72 3.09 11.81 16.28 107.86 49.87 -92.82 79.03 70.61 6.70 22.69 37.78 17.10 16.46 9.73 12.34 0.06 3.96 2.58 18 Q C C 103.56 6.07 10.36 18.21 116.31 120.85 -91.33 135.18 97.33 2.06 0.61 66.27 30.51 0.83 0.29 0.26 0.00 1.07 0.77 19 P C C 74.27 7.09 9.94 18.68 113.81 -107.70 -64.78 148.31 95.86 1.63 2.50 77.15 7.53 11.12 0.64 1.84 0.00 0.94 0.79 20 K C C 157.21 2.12 12.79 15.82 99.40 -130.58 -77.92 -19.71 95.61 2.70 1.69 47.88 35.90 11.81 0.33 1.43 0.00 1.28 1.36 21 Y C S 111.27 7.39 9.78 18.74 116.62 36.99 -115.63 123.93 96.95 2.64 0.41 42.90 53.47 0.95 0.15 0.20 0.00 1.21 1.11 22 P C C 81.93 5.00 11.99 18.72 112.24 -117.92 -68.49 146.28 93.44 2.49 4.07 81.08 6.43 5.96 1.09 2.84 0.00 1.48 1.12 23 R C C 140.01 6.39 9.97 17.87 112.84 -113.01 -82.73 133.85 86.19 5.59 8.22 60.09 14.00 11.46 2.25 6.21 0.00 2.84 3.14 24 K C C 152.49 2.64 11.89 15.86 101.80 -142.22 -80.99 -6.66 86.66 4.53 8.81 43.41 25.99 17.58 1.97 6.70 0.00 2.53 1.82 25 S C C 77.80 3.49 11.27 16.38 114.96 29.71 -101.03 136.18 88.97 4.06 6.97 47.46 28.03 13.57 1.80 5.08 0.00 1.99 2.07 26 A C C 57.03 7.74 9.44 18.65 118.69 -138.20 -93.88 143.42 96.21 2.19 1.60 61.36 33.58 1.56 0.85 0.66 0.00 0.98 1.02 27 P C C 81.83 5.18 11.27 18.19 112.50 -103.87 -66.01 148.44 91.15 1.92 6.94 76.40 7.93 7.03 2.71 3.85 0.00 1.08 1.00 28 R C C 155.45 4.01 10.48 16.37 111.50 -115.71 -80.53 131.87 84.74 3.54 11.73 65.75 9.83 8.83 4.84 6.88 0.00 1.80 2.08 29 R C C 154.22 4.41 10.15 16.27 105.69 -143.44 -83.43 51.81 76.30 3.56 20.13 41.78 16.49 18.64 7.01 12.46 0.01 1.80 1.81 30 N C C 108.75 4.29 10.80 16.58 106.36 55.81 -88.96 81.36 75.64 2.60 21.77 35.77 18.74 21.97 7.35 13.59 0.01 1.27 1.30 31 K C C 142.34 3.18 12.79 17.39 104.56 115.67 -87.93 30.93 73.15 3.01 23.84 42.53 16.35 14.43 10.71 12.95 0.01 1.46 1.57 32 L C C 72.88 11.21 10.48 22.15 112.33 107.30 -88.81 125.54 76.68 2.93 20.39 53.12 15.04 8.38 13.02 7.43 0.00 1.35 1.67 33 D C C 74.72 6.33 16.17 23.41 110.22 -152.87 -85.81 116.03 79.38 2.02 18.60 66.50 7.21 5.54 13.73 4.97 0.00 1.02 1.02 34 H H H 85.74 12.69 14.22 27.11 95.05 -144.81 -66.13 -25.33 36.31 1.50 62.20 8.76 7.43 18.83 38.83 24.59 0.13 0.92 0.50 35 Y H H 106.21 10.22 16.70 27.35 94.00 63.89 -75.14 -19.01 30.99 2.29 66.72 6.46 5.38 17.48 41.47 26.84 0.17 1.66 0.54 36 A H H 39.16 9.81 17.39 28.41 94.60 68.65 -71.60 -21.60 28.34 3.96 67.70 9.00 7.35 11.45 40.95 27.25 0.12 3.28 0.60 37 I H H 44.69 16.12 17.69 33.51 98.20 60.05 -81.95 -24.92 32.07 19.66 48.27 10.72 8.51 14.17 33.78 13.93 0.82 15.96 2.12 38 I E E 37.80 17.83 16.90 34.60 112.56 60.01 -100.58 116.76 24.62 51.42 23.96 12.88 6.04 7.02 19.38 6.42 0.65 40.52 7.08 39 K E E 96.73 10.83 20.09 30.81 111.61 -161.69 -102.31 84.20 41.85 50.42 7.73 28.92 9.44 3.84 6.84 2.22 0.11 43.26 5.37 40 F C C 76.22 12.85 18.64 31.57 123.34 34.79 -123.88 133.94 67.55 31.88 0.57 49.48 17.74 0.80 0.37 0.28 0.00 29.30 2.02 41 P C C 53.62 12.81 19.27 32.03 113.61 -110.29 -69.09 145.64 77.40 21.60 1.00 70.92 4.66 1.32 0.36 0.59 0.00 19.52 2.63 42 L C C 47.92 17.14 17.13 33.69 102.52 -130.44 -81.15 24.69 86.83 9.37 3.80 53.21 22.78 11.47 1.22 2.53 0.01 6.01 2.77 43 T C C 53.96 14.30 16.08 29.94 107.03 93.59 -101.78 51.03 89.99 5.91 4.10 50.86 28.51 11.21 1.56 2.39 0.00 3.04 2.42 44 T C C 55.04 7.11 16.32 24.66 126.97 125.20 -104.66 162.03 90.02 3.80 6.19 52.11 35.60 2.41 4.98 1.25 0.00 1.10 2.55 45 E H H 137.44 2.88 15.27 19.38 92.16 -108.46 -60.25 -37.38 13.77 0.20 86.02 3.44 4.54 7.11 81.77 2.87 0.07 0.08 0.12 46 S H H 63.42 2.97 18.11 21.22 92.03 53.09 -64.89 -40.08 10.59 0.16 89.25 2.42 1.84 6.75 85.13 3.64 0.07 0.09 0.07 47 A H H 11.25 17.03 13.46 31.11 92.29 49.92 -65.82 -40.61 5.91 0.16 93.93 2.30 0.98 3.03 89.69 3.82 0.02 0.11 0.04 48 M H H 57.51 13.00 15.92 29.33 91.99 53.07 -63.65 -40.83 4.58 0.17 95.24 1.95 0.80 2.19 92.17 2.72 0.02 0.11 0.04 49 K H H 119.23 1.89 21.17 21.59 92.07 51.56 -64.32 -41.01 7.41 0.36 92.23 2.86 1.25 3.87 89.47 2.18 0.04 0.23 0.10 50 K H H 79.97 7.42 17.96 26.45 92.25 50.45 -65.93 -39.89 9.00 0.70 90.30 3.73 1.62 4.51 87.38 2.03 0.07 0.46 0.19 51 I H H 25.03 18.71 12.55 30.82 92.59 50.51 -65.90 -41.23 8.12 0.85 91.03 4.06 1.47 3.44 87.85 2.35 0.05 0.57 0.21 52 E H H 120.37 4.58 17.22 22.91 93.23 50.01 -66.66 -38.16 9.73 0.39 89.88 2.98 1.34 5.80 86.35 3.07 0.08 0.26 0.12 53 D H H 109.94 1.47 17.40 17.97 95.61 45.28 -78.23 -28.76 16.99 0.23 82.77 2.38 2.15 12.79 79.74 2.57 0.14 0.11 0.12 54 N H H 77.07 8.33 15.54 24.74 100.79 28.58 -99.63 4.53 44.25 0.32 55.44 5.82 8.47 29.75 53.37 2.16 0.08 0.11 0.24 55 N C T 79.57 9.57 18.21 28.60 96.35 -128.52 57.64 39.09 98.44 1.01 0.55 32.62 12.05 53.95 0.15 0.31 0.00 0.80 0.12 56 T C E 19.60 17.11 18.88 36.31 127.49 135.90 -116.40 147.66 51.32 48.62 0.06 45.08 4.65 0.21 0.01 0.05 0.00 49.22 0.77 57 L E E 13.78 20.38 23.11 43.33 116.10 -133.19 -94.39 131.04 11.40 88.59 0.01 11.12 0.30 0.02 0.00 0.00 0.00 88.24 0.31 58 V E E 16.41 20.38 24.70 44.35 121.71 -162.68 -114.35 130.92 3.86 96.14 0.00 3.78 0.06 0.00 0.00 0.00 0.00 96.09 0.06 59 F E E 9.87 23.10 23.71 46.11 126.16 -170.76 -121.88 138.94 0.62 99.38 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.40 0.02 60 I E E 35.59 16.07 26.78 42.66 115.67 -146.72 -102.17 124.52 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 61 V E E 5.26 24.36 18.66 43.18 129.77 -175.26 -125.85 146.89 2.34 97.66 0.00 2.36 0.05 0.00 0.00 0.00 0.00 97.48 0.11 62 D E E 42.75 10.43 24.11 35.17 110.56 -109.02 -72.13 131.08 36.48 63.48 0.04 36.32 0.59 0.05 0.01 0.03 0.00 62.45 0.56 63 V C T 47.38 17.50 16.17 33.55 91.75 -134.52 -64.59 -22.97 97.89 1.22 0.88 0.87 5.05 92.34 0.04 0.75 0.00 0.83 0.12 64 K C T 141.17 2.63 22.11 24.97 92.79 61.48 -87.11 -3.53 98.91 0.40 0.69 0.89 4.39 93.72 0.03 0.65 0.00 0.27 0.05 65 A C C 11.21 20.88 10.26 31.00 117.23 118.27 -69.55 144.41 98.41 1.23 0.36 58.86 39.30 0.42 0.11 0.20 0.00 0.51 0.59 66 N C C 80.18 3.59 23.71 26.17 121.92 -126.73 -83.59 160.05 95.79 4.05 0.16 95.43 0.59 0.04 0.11 0.01 0.00 0.71 3.12 67 K H H 93.11 14.88 14.32 28.70 91.48 -108.37 -58.51 -38.61 0.92 0.00 99.08 0.08 0.08 0.64 99.08 0.13 0.00 0.00 0.00 68 H H H 126.78 2.14 21.46 22.89 91.58 53.39 -64.12 -40.52 0.45 0.00 99.55 0.02 0.03 0.35 99.48 0.12 0.00 0.00 0.00 69 Q H H 68.66 8.66 20.54 29.82 91.92 48.98 -65.53 -40.79 0.11 0.00 99.88 0.01 0.01 0.07 99.83 0.08 0.00 0.00 0.00 70 I H H 2.50 26.22 15.11 42.03 91.24 49.77 -63.54 -43.61 0.05 0.00 99.95 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 71 K H H 78.27 13.53 21.72 34.43 91.49 51.26 -62.07 -42.32 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 72 Q H H 96.21 2.50 26.02 27.16 91.53 49.70 -64.10 -42.16 0.13 0.00 99.87 0.00 0.00 0.11 99.88 0.01 0.00 0.00 0.00 73 A H H 9.27 15.66 20.50 37.16 91.38 50.17 -63.86 -43.01 0.10 0.00 99.90 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 74 V H H 2.62 25.84 16.50 42.85 91.67 49.55 -64.60 -42.91 0.09 0.00 99.91 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 75 K H H 99.76 8.94 19.93 29.28 91.77 51.51 -63.72 -40.48 0.12 0.00 99.88 0.01 0.00 0.10 99.82 0.07 0.00 0.00 0.00 76 K H H 131.30 2.85 21.83 24.43 92.91 48.86 -68.52 -38.25 0.40 0.00 99.60 0.01 0.01 0.40 99.41 0.17 0.00 0.00 0.00 77 L H H 39.70 16.14 17.43 33.25 98.27 38.10 -82.32 -36.09 2.00 0.00 98.00 0.03 0.06 1.95 97.83 0.13 0.00 0.00 0.00 78 Y H H 33.11 19.22 15.27 34.19 108.87 19.62 -118.02 11.10 22.25 0.11 77.64 1.58 3.88 16.22 77.73 0.41 0.05 0.02 0.09 79 D C T 111.01 2.53 22.38 24.97 96.24 -121.04 46.46 49.00 99.62 0.12 0.26 28.43 11.06 60.20 0.11 0.09 0.00 0.08 0.03 80 I C C 16.12 21.46 11.53 32.85 128.15 138.88 -118.41 148.30 91.39 8.58 0.03 82.97 8.30 0.13 0.01 0.02 0.00 8.04 0.52 81 D C C 83.11 3.96 25.46 29.36 110.92 -128.94 -91.99 120.81 82.55 17.43 0.02 82.26 0.72 0.06 0.00 0.01 0.00 16.61 0.33 82 V E E 18.99 23.44 12.11 35.01 112.78 -153.05 -89.44 124.48 21.40 78.54 0.05 22.35 0.30 0.03 0.02 0.03 0.00 75.89 1.38 83 A E E 53.22 5.97 21.50 28.16 99.19 -170.86 -84.43 -35.17 19.74 80.17 0.09 9.70 9.54 0.91 0.00 0.10 0.00 79.57 0.17 84 K E E 95.87 4.98 24.09 29.75 138.25 -3.29 -151.33 151.34 5.96 94.01 0.04 3.69 1.71 0.29 0.00 0.03 0.00 94.23 0.05 85 V E E 32.63 22.12 13.36 34.48 123.93 -159.48 -125.36 129.67 5.46 94.54 0.01 4.99 0.20 0.01 0.00 0.00 0.00 94.75 0.05 86 N E E 59.51 7.81 23.21 31.47 127.72 -175.24 -126.79 143.88 1.88 98.12 0.00 1.66 0.08 0.00 0.00 0.00 0.00 98.23 0.02 87 T E E 43.89 16.17 15.96 31.97 122.43 -150.21 -110.61 135.79 0.86 99.14 0.00 0.77 0.03 0.00 0.00 0.00 0.00 99.19 0.01 88 L E E 48.08 10.56 18.07 30.05 124.58 -169.88 -122.09 139.49 0.36 99.64 0.00 0.32 0.02 0.00 0.00 0.00 0.00 99.66 0.01 89 I E E 81.07 8.22 15.03 24.89 114.70 -141.38 -101.96 123.15 1.01 98.99 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.77 0.23 90 R C C 73.07 9.30 10.26 21.26 122.42 -147.40 -84.83 162.51 96.83 3.16 0.01 97.12 0.24 0.03 0.00 0.01 0.00 2.43 0.17 91 P C T 118.22 1.65 10.74 13.52 90.77 -102.82 -59.79 -27.43 98.76 0.19 1.05 0.44 2.57 95.70 0.02 1.12 0.00 0.12 0.03 92 D C T 116.95 1.03 11.56 12.44 92.44 56.00 -86.13 0.08 98.93 0.05 1.02 0.25 2.15 96.52 0.02 1.02 0.00 0.02 0.01 93 G C S 44.72 3.84 12.26 17.73 98.21 -102.31 88.40 6.06 98.65 0.38 0.96 14.00 82.91 1.95 0.06 0.75 0.00 0.18 0.15 94 E C C 79.07 6.49 13.08 21.61 118.29 136.77 -78.00 145.70 96.46 3.52 0.03 95.35 1.57 0.08 0.01 0.01 0.00 2.48 0.50 95 K E E 79.38 11.37 15.07 27.54 120.00 -132.26 -99.52 138.05 1.53 98.47 0.00 1.45 0.05 0.00 0.00 0.00 0.00 98.25 0.25 96 K E E 62.13 12.79 19.36 32.55 131.59 -174.06 -130.55 149.14 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 97 A E E 12.44 18.96 18.86 38.14 125.11 -156.31 -116.48 140.27 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 98 Y E E 41.56 14.62 23.16 38.15 124.55 -165.09 -120.97 137.25 0.51 99.49 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 99 V E E 10.66 21.86 19.55 41.49 122.41 -159.73 -116.84 133.09 1.41 98.59 0.00 1.31 0.02 0.00 0.00 0.00 0.00 98.66 0.01 100 R E E 87.85 11.04 25.77 36.87 119.84 -155.56 -105.83 132.63 2.85 97.15 0.00 2.63 0.08 0.00 0.00 0.00 0.00 97.19 0.09 101 L E E 19.44 21.83 15.08 36.69 116.74 -131.07 -84.69 137.07 19.01 80.98 0.01 18.46 0.54 0.01 0.00 0.00 0.00 77.64 3.34 102 A C C 28.26 10.16 17.21 29.13 115.40 -110.51 -68.69 149.01 97.71 2.27 0.02 96.96 1.01 0.07 0.00 0.01 0.00 1.79 0.16 103 P C T 93.02 5.72 15.06 22.27 92.69 -109.24 -60.18 -28.61 98.24 0.51 1.25 2.16 6.87 89.32 0.12 1.07 0.00 0.32 0.14 104 D C T 120.91 1.35 17.55 18.00 95.41 50.63 -87.44 6.64 98.14 0.42 1.44 4.30 5.50 88.34 0.17 1.29 0.00 0.29 0.11 105 Y C C 50.60 18.38 9.98 27.42 115.30 123.11 -84.09 134.21 91.60 4.58 3.82 75.35 13.06 2.80 1.55 2.27 0.00 2.05 2.92 106 D C C 82.69 5.06 22.81 27.86 108.82 -156.02 -102.12 104.31 91.35 3.48 5.16 85.70 3.05 3.09 3.28 1.39 0.00 1.74 1.76 107 A H H 18.10 21.57 14.18 35.03 94.67 -168.38 -68.60 -25.64 43.95 2.83 53.21 22.95 8.27 13.95 39.25 12.78 0.10 1.74 0.97 108 L H H 68.40 11.23 18.36 29.87 92.84 64.31 -67.66 -27.72 36.50 2.41 61.09 14.39 8.24 14.92 47.44 12.54 0.19 1.53 0.76 109 D H H 77.54 4.56 21.22 25.80 94.59 53.73 -75.12 -25.73 31.51 2.24 66.25 19.11 5.13 8.55 53.36 11.67 0.04 1.55 0.60 110 V H H 18.00 17.19 15.94 33.49 93.05 58.43 -66.01 -41.12 14.83 1.32 83.85 7.16 3.29 6.25 75.70 6.16 0.16 0.93 0.35 111 A H H 19.00 16.57 14.47 31.19 92.34 52.69 -64.00 -41.43 13.09 1.48 85.43 5.50 2.45 6.38 77.06 6.92 0.16 1.14 0.39 112 N H H 106.79 2.54 17.66 20.58 92.71 50.11 -66.72 -36.99 15.66 1.20 83.14 5.00 2.61 8.89 72.86 9.18 0.21 0.90 0.35 113 K H H 119.76 4.97 16.23 22.27 93.26 52.76 -70.53 -32.23 22.95 1.05 76.00 4.25 3.35 16.04 66.87 8.01 0.39 0.68 0.41 114 I C H 52.94 14.16 12.52 26.72 97.53 44.15 -93.17 -4.67 51.41 1.22 47.37 3.77 6.26 40.51 41.92 5.87 0.37 0.67 0.63 115 G C T 50.56 3.57 16.74 21.22 97.61 -113.86 73.40 18.28 96.08 1.02 2.90 16.54 7.20 72.90 1.66 0.82 0.00 0.63 0.26 116 I C C 61.87 12.71 11.63 24.76 106.16 127.92 -93.66 66.34 91.50 7.47 1.02 88.18 1.94 1.75 0.59 0.28 0.00 4.52 2.74 117 I C C 78.19 11.70 15.76 27.48 115.35 96.82 -104.62 124.52 98.55 1.42 0.03 98.60 0.21 0.05 0.01 0.00 0.00 1.00 0.12