# 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 140.46 3.12 12.72 17.53 119.77 -171.61 -111.68 137.60 99.44 0.55 0.01 99.43 0.13 0.03 0.00 0.00 0.00 0.37 0.03 1 K C C 145.99 3.15 10.16 15.35 116.84 -144.07 -98.75 132.25 80.45 18.34 1.21 79.46 0.87 0.76 0.56 0.42 0.00 14.85 3.09 2 I C C 103.57 5.54 8.39 15.83 116.85 -155.44 -101.64 131.17 77.36 20.50 2.13 70.54 4.45 1.72 0.84 1.20 0.00 18.51 2.74 3 R C C 155.18 3.54 10.41 15.88 114.70 -147.39 -93.50 129.50 79.47 18.57 1.97 71.33 4.95 2.46 0.66 1.28 0.00 16.49 2.83 4 T C C 94.07 4.45 10.16 16.41 112.52 -170.71 -105.92 112.29 87.62 10.53 1.85 68.84 15.21 3.41 0.65 1.28 0.00 7.73 2.86 5 S C C 58.27 5.24 9.77 16.88 119.66 74.25 -97.49 143.12 96.03 2.56 1.42 73.38 20.91 1.89 0.57 0.78 0.00 1.43 1.04 6 P C C 93.45 4.47 10.79 16.84 103.61 -113.91 -66.14 98.68 76.61 1.23 22.15 40.98 12.00 22.91 3.78 19.11 0.00 0.69 0.52 7 T C C 91.76 4.35 12.09 17.56 98.48 60.09 -84.50 -6.45 71.34 2.67 26.00 29.07 15.41 27.65 4.44 20.87 0.01 1.44 1.12 8 F C C 99.30 9.32 9.43 19.60 111.37 86.26 -92.58 115.26 69.28 5.37 25.36 35.78 18.61 15.67 4.53 20.27 0.02 2.88 2.24 9 R C C 151.58 3.16 13.31 17.98 116.90 -145.80 -96.87 135.26 84.33 5.06 10.61 57.25 19.92 7.11 3.77 6.68 0.00 2.65 2.62 10 R C C 133.60 6.65 11.43 19.74 115.79 -117.11 -83.30 136.41 96.50 1.98 1.52 73.64 21.75 1.13 1.05 0.47 0.00 0.89 1.07 11 P C C 58.53 9.82 9.87 20.86 112.18 -107.30 -65.39 148.68 84.59 1.87 13.54 72.71 4.82 7.20 8.51 4.78 0.00 1.01 0.98 12 K C C 157.30 1.83 13.36 15.70 95.39 -132.13 -71.67 -23.31 71.55 2.78 25.67 38.53 18.69 14.57 15.68 9.80 0.02 1.38 1.34 13 T C C 74.12 5.00 11.79 18.26 106.99 56.36 -93.21 36.60 62.65 6.17 31.18 35.70 16.00 11.40 19.25 11.72 0.06 3.55 2.33 14 L C C 80.99 7.78 10.39 19.47 99.93 78.76 -74.48 -19.05 56.22 6.74 37.04 36.57 11.84 7.84 23.07 14.25 0.04 4.54 1.86 15 R C C 138.67 4.07 13.01 18.42 101.65 88.08 -79.37 -9.07 54.49 8.47 37.04 37.16 9.07 7.91 22.20 15.39 0.04 6.19 2.04 16 L C C 82.21 7.87 9.94 19.15 103.75 76.50 -80.73 19.48 51.80 8.59 39.61 35.15 8.65 8.15 19.18 20.64 0.04 6.18 2.02 17 R C C 159.05 3.02 12.03 16.44 99.77 82.14 -76.38 -17.49 61.47 7.27 31.26 33.90 13.33 14.60 14.62 16.52 0.08 4.88 2.09 18 R C C 157.46 3.00 11.70 16.11 107.84 50.53 -92.80 83.07 71.61 6.16 22.23 38.44 17.19 16.64 8.12 13.50 0.04 3.66 2.40 19 Q C C 104.52 6.19 10.37 18.35 116.63 -132.59 -89.80 137.03 97.47 1.97 0.56 66.81 30.18 0.74 0.26 0.24 0.00 1.02 0.74 20 P C C 71.45 7.71 9.80 19.11 113.90 -106.86 -64.97 147.90 95.94 1.73 2.33 81.33 6.07 8.50 0.61 1.64 0.00 0.96 0.89 21 K C C 158.04 2.01 13.10 15.96 98.87 -134.10 -78.38 -20.82 96.19 2.40 1.41 49.30 37.24 9.58 0.28 1.20 0.00 1.10 1.29 22 Y C S 111.24 7.29 9.90 18.80 117.17 38.38 -117.36 126.55 97.35 2.29 0.37 42.22 54.63 0.86 0.13 0.18 0.00 1.00 0.99 23 P C C 81.48 5.08 11.99 18.79 112.20 -119.22 -68.40 148.59 93.65 2.05 4.30 81.63 6.06 6.02 1.11 3.04 0.00 1.18 0.95 24 R C C 140.00 6.41 10.02 17.94 111.23 -110.33 -79.99 134.25 86.61 4.72 8.67 59.78 14.20 11.98 2.24 6.77 0.00 2.38 2.65 25 K C C 153.20 2.56 11.89 15.79 102.04 -139.61 -81.01 -2.53 86.40 4.14 9.46 43.11 25.99 17.55 2.03 7.30 0.00 2.22 1.79 26 S C C 78.01 3.47 11.18 16.28 114.95 34.58 -96.71 133.28 88.62 4.04 7.34 47.88 27.55 13.19 1.85 5.44 0.00 1.94 2.14 27 A C C 56.70 7.74 9.37 18.58 118.57 -123.16 -93.28 143.41 96.26 2.17 1.57 61.60 33.43 1.53 0.80 0.66 0.00 0.97 1.02 28 P C C 82.81 5.09 11.25 18.07 112.33 -103.88 -66.24 148.24 91.11 2.01 6.88 76.68 7.85 6.76 2.60 3.92 0.00 1.13 1.05 29 R C C 155.41 4.05 10.41 16.33 111.85 -116.65 -81.42 132.33 85.07 3.46 11.47 66.12 9.87 8.72 4.49 6.99 0.00 1.77 2.03 30 R C C 153.61 4.51 10.08 16.27 106.04 -132.33 -83.50 77.47 77.23 3.51 19.27 42.53 16.55 18.71 6.05 12.61 0.01 1.77 1.78 31 N C C 109.82 4.20 10.78 16.45 106.46 56.17 -89.46 73.83 77.01 2.61 20.38 36.09 19.43 22.34 6.09 13.47 0.01 1.28 1.29 32 K C C 143.58 3.11 12.68 17.18 104.86 126.97 -88.61 28.27 75.30 3.06 21.63 43.95 16.93 14.56 8.76 12.69 0.01 1.50 1.60 33 L C C 73.74 11.06 10.36 21.92 111.36 114.62 -88.66 125.02 79.53 3.16 17.31 54.87 16.46 8.08 10.57 6.73 0.00 1.45 1.83 34 D C C 75.43 6.20 16.14 23.25 109.51 -146.40 -86.50 119.60 83.18 2.13 14.69 69.77 7.80 5.52 10.25 4.46 0.00 1.08 1.11 35 H H H 84.72 13.07 14.06 27.26 95.23 -136.62 -66.75 -24.39 39.39 1.67 58.94 10.06 8.07 20.25 34.41 25.50 0.13 1.00 0.58 36 Y H H 107.97 10.12 16.89 27.45 94.47 65.36 -75.92 -17.33 34.49 2.51 63.00 7.26 6.27 19.45 36.46 27.98 0.19 1.74 0.64 37 A H H 39.43 9.96 17.70 28.76 95.43 69.22 -74.51 -18.73 31.21 4.82 63.97 11.06 8.24 11.94 36.30 27.69 0.13 3.88 0.76 38 I H H 41.84 16.79 17.80 34.18 99.26 60.80 -83.95 -22.70 32.75 24.17 43.08 13.14 9.29 12.30 29.34 12.80 0.86 19.83 2.44 39 I E E 34.97 18.37 17.12 35.32 115.04 64.31 -101.94 119.09 23.56 57.73 18.70 13.87 5.54 5.38 15.56 5.29 0.38 47.76 6.23 40 K E E 94.18 11.26 20.49 31.55 116.34 -162.44 -104.86 121.38 35.54 58.06 6.40 25.85 7.05 2.94 5.67 1.93 0.08 51.68 4.79 41 F C C 72.32 13.53 18.67 32.21 124.24 44.32 -123.48 134.26 61.87 37.61 0.52 47.55 13.65 0.68 0.34 0.25 0.00 35.71 1.81 42 P C C 53.43 12.52 19.61 32.13 113.54 -110.67 -68.95 145.23 74.15 24.93 0.92 67.29 4.87 1.28 0.33 0.56 0.00 23.34 2.34 43 L C C 47.08 17.36 16.82 33.56 103.24 -128.45 -81.13 28.98 86.01 9.85 4.14 55.10 20.17 11.23 1.34 2.78 0.01 6.67 2.70 44 T C C 57.78 13.60 16.38 29.57 105.59 92.16 -101.75 20.45 90.07 5.44 4.49 52.02 27.66 10.97 1.71 2.61 0.00 2.86 2.17 45 T C C 54.65 7.12 16.18 24.58 126.73 106.79 -107.56 161.85 89.42 3.68 6.91 49.35 37.59 2.65 5.51 1.39 0.00 1.05 2.46 46 E H H 136.94 2.92 15.22 19.36 92.16 -108.10 -60.35 -37.21 13.96 0.20 85.83 3.62 4.60 7.08 81.47 2.96 0.07 0.08 0.11 47 S H H 63.44 2.99 18.09 21.24 92.03 53.25 -64.95 -40.07 10.69 0.17 89.14 2.60 1.87 6.68 84.92 3.70 0.06 0.09 0.07 48 A H H 11.25 17.04 13.43 31.09 92.31 50.17 -65.83 -40.45 5.90 0.16 93.93 2.38 0.99 2.96 89.63 3.86 0.02 0.11 0.04 49 M H H 57.97 12.87 15.94 29.24 92.00 53.12 -63.60 -40.82 4.43 0.16 95.41 1.93 0.77 2.08 92.43 2.62 0.02 0.11 0.04 50 K H H 119.58 1.89 21.15 21.57 92.08 51.57 -64.33 -40.97 6.87 0.33 92.79 2.77 1.18 3.49 90.19 2.03 0.04 0.21 0.09 51 K H H 79.34 7.51 17.85 26.45 92.28 50.46 -65.96 -39.78 8.26 0.67 91.07 3.55 1.50 4.06 88.29 1.92 0.07 0.44 0.18 52 I H H 26.07 18.53 12.57 30.66 92.66 50.49 -65.95 -41.29 7.55 0.82 91.62 3.78 1.35 3.21 88.71 2.16 0.05 0.56 0.19 53 E H H 120.95 4.48 17.21 22.79 93.22 49.98 -66.56 -38.10 9.31 0.36 90.33 2.77 1.28 5.61 87.09 2.83 0.08 0.24 0.11 54 D H H 109.47 1.49 17.39 18.01 95.58 45.61 -78.83 -28.01 16.83 0.22 82.95 2.27 2.09 12.76 80.15 2.38 0.13 0.10 0.12 55 N H H 77.53 8.44 15.50 24.81 100.14 28.85 -98.65 5.19 45.80 0.31 53.89 5.93 8.54 30.97 52.07 2.08 0.07 0.10 0.24 56 N C T 79.54 9.46 18.31 28.57 96.53 -128.75 56.95 38.94 98.45 1.00 0.55 32.59 11.37 54.67 0.15 0.30 0.00 0.80 0.12 57 T C E 19.46 17.25 18.77 36.30 128.06 134.50 -116.39 148.31 51.22 48.72 0.06 44.91 4.79 0.22 0.01 0.05 0.00 49.22 0.79 58 L E E 14.59 20.18 23.13 43.15 116.08 -131.94 -94.27 131.08 11.81 88.18 0.01 11.50 0.31 0.02 0.00 0.01 0.00 87.84 0.33 59 V E E 16.81 20.31 24.60 44.19 121.32 -161.84 -113.51 130.44 4.16 95.84 0.00 4.06 0.07 0.00 0.00 0.00 0.00 95.80 0.06 60 F E E 9.83 23.12 23.66 46.10 125.55 -170.58 -120.75 138.01 0.64 99.36 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.38 0.01 61 I E E 35.52 16.08 26.81 42.69 115.75 -147.46 -102.30 124.63 0.38 99.62 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 62 V E E 5.28 24.33 18.77 43.25 129.37 -174.96 -125.79 146.21 1.93 98.07 0.00 1.95 0.04 0.00 0.00 0.00 0.00 97.91 0.10 63 D E E 41.64 10.61 24.03 35.27 110.43 -109.12 -72.38 130.76 33.10 66.86 0.04 32.93 0.55 0.04 0.01 0.03 0.00 65.89 0.55 64 V C T 47.47 17.46 16.23 33.58 91.74 -135.13 -64.68 -22.77 97.83 1.23 0.94 0.89 5.16 92.15 0.04 0.80 0.00 0.84 0.12 65 K C T 141.01 2.64 22.10 24.99 92.74 61.52 -87.08 -3.44 98.85 0.40 0.75 0.90 4.50 93.54 0.03 0.70 0.00 0.27 0.05 66 A C C 11.23 20.87 10.22 30.94 117.22 118.45 -69.65 144.34 98.40 1.20 0.39 57.91 40.22 0.45 0.12 0.22 0.00 0.49 0.59 67 N C C 79.86 3.57 23.65 26.09 122.13 -128.14 -84.39 160.92 95.90 3.94 0.16 95.48 0.64 0.04 0.11 0.01 0.00 0.67 3.04 68 K H H 94.60 14.61 14.36 28.54 91.50 -107.96 -58.41 -38.56 0.97 0.00 99.03 0.08 0.08 0.68 99.02 0.13 0.00 0.00 0.00 69 H H H 126.97 2.11 21.39 22.78 91.58 53.16 -64.07 -40.48 0.49 0.00 99.51 0.03 0.03 0.38 99.44 0.12 0.00 0.00 0.00 70 Q H H 67.97 8.82 20.44 29.87 91.93 48.98 -65.50 -40.77 0.12 0.00 99.88 0.01 0.01 0.08 99.82 0.08 0.00 0.00 0.00 71 I H H 2.60 26.15 15.11 41.95 91.30 49.77 -63.55 -43.61 0.05 0.00 99.95 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 72 K H H 78.76 13.41 21.75 34.35 91.50 51.14 -62.06 -42.29 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 73 Q H H 95.65 2.55 25.98 27.22 91.53 49.65 -64.08 -42.16 0.14 0.00 99.86 0.00 0.00 0.12 99.86 0.01 0.00 0.00 0.00 74 A H H 9.13 15.76 20.44 37.21 91.39 50.20 -63.84 -43.01 0.10 0.00 99.89 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 75 V H H 2.79 25.68 16.57 42.70 91.78 49.57 -64.64 -42.92 0.09 0.00 99.91 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 76 K H H 99.95 8.90 19.91 29.23 91.79 51.45 -63.68 -40.46 0.12 0.00 99.88 0.01 0.00 0.10 99.83 0.06 0.00 0.00 0.00 77 K H H 130.52 2.98 21.73 24.47 92.90 48.67 -68.77 -38.08 0.41 0.00 99.59 0.01 0.01 0.40 99.42 0.15 0.00 0.00 0.00 78 L H H 39.92 16.12 17.40 33.23 98.38 37.82 -82.69 -35.81 2.06 0.00 97.93 0.03 0.06 1.99 97.78 0.13 0.00 0.00 0.00 79 Y H H 33.66 19.16 15.30 34.15 108.57 19.68 -118.68 9.78 22.64 0.12 77.24 1.69 3.90 16.48 77.32 0.43 0.05 0.03 0.09 80 D C T 110.57 2.60 22.37 25.04 96.46 -121.23 44.02 49.79 99.61 0.13 0.26 29.33 11.26 59.09 0.12 0.09 0.00 0.08 0.03 81 I C C 16.24 21.39 11.61 32.88 128.38 138.24 -117.61 148.75 90.05 9.92 0.03 80.97 8.86 0.15 0.01 0.02 0.00 9.46 0.54 82 D C C 82.14 4.11 25.48 29.55 111.33 -128.58 -91.87 121.68 78.69 21.28 0.02 78.38 0.71 0.06 0.00 0.01 0.00 20.47 0.37 83 V E E 19.18 23.41 12.20 35.08 112.64 -150.86 -89.32 124.23 17.11 82.85 0.04 17.97 0.24 0.02 0.01 0.02 0.00 80.71 1.02 84 A E E 52.86 5.99 21.48 28.19 99.14 -174.74 -84.06 -35.57 16.00 83.93 0.06 8.15 7.36 0.70 0.00 0.07 0.00 83.59 0.13 85 K E E 95.24 5.00 24.09 29.78 138.77 -3.70 -152.17 151.39 4.77 95.21 0.02 2.93 1.26 0.20 0.00 0.02 0.00 95.55 0.04 86 V E E 32.49 22.09 13.40 34.52 123.68 -159.29 -125.30 129.49 5.06 94.93 0.01 4.62 0.16 0.01 0.00 0.00 0.00 95.17 0.04 87 N E E 58.98 7.92 23.17 31.54 127.91 -174.94 -126.19 143.99 1.85 98.15 0.00 1.62 0.08 0.00 0.00 0.00 0.00 98.28 0.02 88 T E E 44.02 16.05 16.04 31.97 122.60 -150.65 -111.70 135.65 0.83 99.17 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.22 0.01 89 L E E 47.75 10.63 18.04 30.10 124.51 -169.66 -121.30 139.33 0.35 99.65 0.00 0.30 0.02 0.00 0.00 0.00 0.00 99.67 0.01 90 I E E 80.83 8.28 15.10 25.01 114.88 -141.96 -101.94 122.91 0.98 99.01 0.00 0.95 0.03 0.00 0.00 0.00 0.00 98.80 0.22 91 R C C 73.37 9.30 10.36 21.37 122.36 -147.24 -85.00 161.83 96.60 3.38 0.01 96.91 0.25 0.03 0.00 0.01 0.00 2.63 0.17 92 P C T 117.64 1.72 10.79 13.67 90.69 -103.17 -59.62 -27.57 98.69 0.20 1.11 0.46 2.59 95.59 0.02 1.19 0.00 0.12 0.03 93 D C T 116.66 1.06 11.63 12.57 92.48 55.85 -86.07 0.21 98.87 0.05 1.08 0.26 2.15 96.44 0.02 1.09 0.00 0.02 0.01 94 G C S 44.35 3.94 12.34 17.92 98.37 -102.19 88.34 6.03 98.55 0.41 1.04 14.26 82.39 2.11 0.06 0.83 0.00 0.20 0.16 95 E C C 77.99 6.69 13.13 21.85 118.40 136.29 -78.09 145.69 95.97 4.01 0.02 94.97 1.52 0.08 0.01 0.01 0.00 2.86 0.55 96 K E E 77.30 11.57 15.17 27.80 119.98 -133.57 -100.75 137.98 1.56 98.44 0.00 1.47 0.05 0.00 0.00 0.00 0.00 98.27 0.22 97 K E E 61.74 12.70 19.54 32.66 131.02 -173.05 -130.14 148.76 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 98 A E E 12.01 19.20 18.78 38.27 126.06 -158.12 -119.88 141.19 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 99 Y E E 41.29 14.36 23.45 38.26 124.61 -165.79 -122.22 137.66 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.01 100 V E E 10.05 22.10 19.55 41.72 122.56 -160.94 -117.20 133.05 1.07 98.93 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.99 0.01 101 R E E 86.43 10.97 25.90 36.94 121.49 -160.84 -111.51 133.15 2.50 97.50 0.00 2.31 0.06 0.00 0.00 0.00 0.00 97.55 0.07 102 L E E 19.57 21.75 15.09 36.63 116.78 -131.92 -83.97 137.31 16.74 83.25 0.01 16.24 0.45 0.01 0.00 0.00 0.00 80.66 2.63 103 A C C 27.60 10.16 17.06 29.04 115.50 -110.86 -67.79 149.32 97.69 2.29 0.02 96.95 0.99 0.06 0.00 0.01 0.00 1.83 0.14 104 P C T 94.25 5.36 15.10 22.00 92.43 -109.32 -60.01 -28.36 97.92 0.49 1.59 2.12 6.64 89.26 0.15 1.38 0.00 0.31 0.14 105 D C T 120.52 1.36 17.43 17.97 95.13 51.17 -87.04 6.77 97.75 0.43 1.82 4.10 5.41 88.22 0.21 1.66 0.00 0.30 0.11 106 Y C C 50.73 18.45 9.87 27.32 115.99 122.02 -85.01 134.30 90.28 5.18 4.54 73.57 12.99 3.23 1.68 2.99 0.00 2.43 3.11 107 D C C 86.81 4.82 22.41 27.34 108.39 -159.31 -100.76 105.87 89.95 4.30 5.75 82.69 3.82 3.83 3.21 2.03 0.00 2.37 2.04 108 A C C 21.78 20.84 14.35 34.19 95.24 -163.64 -69.72 -23.47 57.42 5.31 37.27 33.36 10.37 14.13 23.77 13.19 0.08 3.19 1.90 109 L C H 65.88 12.09 17.79 29.99 94.15 68.86 -70.75 -25.01 53.35 4.44 42.21 25.38 13.74 15.22 29.16 12.18 0.18 2.63 1.50 110 D C C 75.67 5.58 20.76 26.61 96.12 62.01 -82.94 -4.68 51.09 3.58 45.33 36.47 6.54 8.71 34.82 10.06 0.02 2.29 1.10 111 V H H 20.17 17.10 15.68 33.11 93.89 81.28 -66.31 -40.52 17.58 1.33 81.09 8.42 4.00 7.23 72.37 6.50 0.18 0.88 0.41 112 A H H 21.02 16.13 14.31 30.60 92.49 53.35 -63.86 -41.09 14.09 1.40 84.51 5.24 2.60 7.40 74.65 8.48 0.20 1.07 0.37 113 N H H 105.82 2.67 17.38 20.52 92.61 50.09 -67.23 -36.70 14.96 1.13 83.91 4.62 2.48 8.48 72.05 11.00 0.21 0.85 0.32 114 K H H 119.14 5.10 15.98 22.19 93.28 52.49 -70.73 -31.98 22.10 1.13 76.77 4.35 3.36 15.02 66.45 9.24 0.41 0.76 0.42 115 I C H 54.37 13.82 12.47 26.40 97.63 44.42 -93.40 -3.90 50.46 1.38 48.17 3.91 6.33 39.33 41.91 6.59 0.45 0.76 0.72 116 G C T 50.61 3.51 16.53 20.97 97.40 -113.87 73.69 17.95 96.30 1.03 2.67 16.96 7.28 72.60 1.47 0.80 0.00 0.63 0.26 117 I C C 62.83 12.42 11.47 24.41 105.86 128.66 -92.97 64.48 91.20 7.82 0.98 88.08 1.85 1.66 0.56 0.27 0.00 4.74 2.85 118 I C C 80.48 11.21 15.72 27.04 115.01 101.05 -104.62 124.57 98.47 1.50 0.03 98.51 0.22 0.05 0.01 0.00 0.00 1.06 0.13