# 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 150.57 2.51 11.64 15.76 114.83 -156.18 -95.33 131.70 99.88 0.10 0.01 99.78 0.11 0.03 0.01 0.00 0.00 0.05 0.01 1 K C C 143.77 3.19 8.79 14.00 117.22 -153.74 -98.98 135.10 90.72 7.40 1.88 89.17 0.82 1.54 0.71 0.68 0.00 5.68 1.41 2 K C C 147.86 2.50 9.23 13.65 117.91 -152.81 -103.94 134.57 81.88 15.53 2.59 70.62 7.79 2.99 1.01 1.57 0.00 12.92 3.09 3 I C C 104.39 5.74 8.23 15.81 116.01 -153.06 -100.60 130.34 77.10 19.45 3.45 67.50 6.41 2.50 1.37 2.08 0.00 16.95 3.19 4 R C C 151.71 3.79 10.29 15.93 113.94 -149.99 -94.36 127.12 78.70 17.30 3.99 67.20 6.83 3.94 1.59 2.39 0.00 14.92 3.12 5 T C C 97.84 3.73 10.29 15.80 107.53 -174.33 -101.54 27.23 87.35 9.28 3.37 63.12 18.64 5.47 1.29 2.09 0.00 6.90 2.49 6 S C C 55.73 5.12 9.60 16.66 119.65 102.79 -97.54 143.52 94.89 3.23 1.88 66.89 25.73 2.47 0.83 0.94 0.00 1.85 1.29 7 P C C 96.79 3.84 10.71 16.16 98.73 -118.24 -66.13 -21.16 75.94 1.46 22.60 35.84 13.62 26.59 4.70 17.80 0.00 0.81 0.62 8 T C T 90.65 4.13 11.65 16.97 97.68 65.21 -83.00 -9.96 71.03 3.06 25.90 26.54 15.61 30.07 5.15 19.64 0.01 1.72 1.25 9 F C C 100.14 8.84 9.35 19.16 107.44 79.33 -90.05 68.62 68.58 6.09 25.33 34.53 18.99 16.12 5.05 19.41 0.02 3.42 2.44 10 R C C 151.99 3.13 12.97 17.59 114.73 122.65 -93.46 132.03 83.21 5.48 11.31 55.52 19.41 8.26 4.10 7.09 0.00 2.99 2.63 11 R C C 131.55 6.54 11.15 19.38 116.23 -121.17 -83.97 137.51 96.21 2.20 1.59 70.68 24.41 1.19 1.12 0.48 0.00 0.98 1.14 12 P C C 59.75 8.98 9.98 20.35 111.43 -106.94 -65.11 148.65 84.24 1.83 13.93 72.95 4.64 6.90 8.70 4.88 0.00 1.02 0.90 13 K C C 156.09 1.87 13.12 15.62 94.98 -130.13 -68.96 -25.72 69.65 3.06 27.28 35.87 18.55 15.62 16.45 10.52 0.02 1.69 1.27 14 T C C 72.57 5.06 11.63 18.19 103.55 57.55 -86.44 -4.90 59.85 7.41 32.74 33.38 15.19 11.91 20.21 12.21 0.07 4.65 2.37 15 L C C 81.36 7.18 10.61 19.24 97.95 75.95 -72.30 -26.07 53.66 7.59 38.75 34.49 11.42 7.87 24.45 14.55 0.04 5.32 1.86 16 R C C 139.09 3.81 12.92 18.03 97.82 74.88 -72.90 -22.18 52.12 9.56 38.32 34.87 8.93 8.02 23.85 15.07 0.04 7.18 2.05 17 L C C 84.32 7.17 10.12 18.80 101.55 72.12 -79.22 -11.84 50.22 10.27 39.52 33.83 8.54 7.98 20.68 19.13 0.05 7.62 2.17 18 R C C 155.39 3.31 11.78 16.55 98.85 74.32 -75.25 -18.03 60.76 8.97 30.26 34.27 13.29 13.59 15.50 14.73 0.08 6.27 2.27 19 R C C 157.06 3.05 11.49 15.95 107.64 51.36 -91.67 72.13 71.40 7.89 20.70 39.13 17.55 15.45 8.44 11.73 0.05 4.88 2.77 20 Q C C 108.93 5.29 10.60 17.81 116.04 119.92 -92.91 134.13 96.83 2.71 0.47 66.99 29.44 0.70 0.21 0.21 0.00 1.63 0.82 21 P C C 72.97 7.57 9.58 18.74 113.61 -108.85 -64.88 147.90 95.64 2.31 2.06 81.62 6.10 7.92 0.55 1.43 0.00 1.39 0.99 22 K C C 156.70 2.10 12.93 15.90 98.79 -133.35 -79.08 -17.40 95.89 2.87 1.24 48.63 38.21 9.08 0.26 1.05 0.00 1.40 1.37 23 Y C S 109.42 7.49 9.83 18.90 117.13 39.17 -115.08 123.76 97.00 2.66 0.34 40.68 55.83 0.91 0.12 0.17 0.00 1.26 1.04 24 P C C 81.64 4.89 12.12 18.72 110.51 -124.53 -68.26 144.27 93.52 2.39 4.08 81.21 6.40 5.96 1.07 2.88 0.00 1.41 1.08 25 R C C 138.10 6.57 10.03 18.02 112.77 -114.36 -83.92 133.98 85.36 5.39 9.25 58.00 14.13 12.53 2.31 7.35 0.00 2.72 2.97 26 K C C 153.62 2.56 11.94 15.78 102.59 -147.14 -79.82 -10.67 85.87 4.04 10.08 37.98 26.78 21.57 1.97 7.87 0.01 2.22 1.60 27 S C C 78.02 3.42 11.55 16.50 113.16 39.17 -98.04 120.57 86.97 4.64 8.39 42.46 27.35 17.37 1.85 6.44 0.00 2.37 2.16 28 A C C 53.46 8.37 9.41 19.17 119.08 -141.58 -93.95 142.01 96.21 2.65 1.14 57.88 37.49 1.25 0.55 0.49 0.00 1.25 1.09 29 P C C 80.78 5.30 11.46 18.48 112.83 -104.34 -66.10 148.37 92.59 2.29 5.12 79.75 7.43 5.56 1.91 2.88 0.00 1.32 1.15 30 R C C 153.34 4.27 10.63 16.75 111.90 -115.78 -81.40 132.42 87.37 4.09 8.54 70.85 9.00 7.16 3.37 5.11 0.00 2.09 2.42 31 R C C 155.16 4.49 10.29 16.39 104.54 -135.96 -81.78 15.65 78.46 4.05 17.49 44.01 16.81 18.12 5.25 11.70 0.01 2.10 1.98 32 N C C 109.77 4.14 10.84 16.44 106.05 56.37 -89.08 72.16 77.59 2.83 19.58 34.85 21.00 22.76 5.55 13.09 0.01 1.43 1.32 33 K C C 143.97 3.05 12.82 17.24 105.00 108.21 -88.38 23.23 75.12 3.42 21.46 44.35 16.48 14.46 8.35 12.92 0.01 1.72 1.70 34 L C C 72.28 11.46 10.32 22.18 112.44 133.00 -88.45 122.70 78.67 3.60 17.74 56.93 14.40 7.23 10.88 6.85 0.00 1.75 1.95 35 D C C 74.34 6.48 16.01 23.42 109.23 -151.35 -87.07 115.47 80.77 2.64 16.59 68.62 6.87 5.39 10.87 5.56 0.00 1.45 1.24 36 H H G 88.42 12.54 14.09 26.86 94.97 -136.21 -67.04 -23.50 41.59 2.06 56.35 10.31 8.37 21.83 27.46 29.98 0.10 1.29 0.66 37 Y H G 111.27 9.62 16.99 27.10 94.52 64.77 -77.03 -14.55 37.68 3.10 59.22 7.79 6.60 21.82 29.16 31.54 0.15 2.23 0.71 38 A H G 38.63 10.52 17.32 28.88 95.74 70.31 -74.18 -16.45 35.89 6.01 58.09 12.85 9.55 14.10 27.70 29.86 0.14 4.89 0.91 39 I C E 44.30 16.63 17.59 33.81 101.02 64.80 -87.81 -20.59 35.92 31.07 33.01 15.23 11.18 12.13 21.20 11.18 0.90 25.45 2.74 40 I E E 37.51 17.44 17.23 34.65 115.67 70.79 -104.03 120.80 22.11 66.03 11.86 14.72 4.93 3.69 9.38 3.96 0.21 58.46 4.65 41 K E E 94.27 11.61 20.02 31.44 118.01 -165.87 -105.49 126.57 29.12 66.72 4.17 22.54 5.03 1.84 3.63 1.31 0.03 61.97 3.63 42 F C E 73.34 13.07 18.83 32.05 126.56 27.00 -129.40 134.45 49.86 49.66 0.48 40.36 8.74 0.53 0.32 0.21 0.00 48.25 1.59 43 P C C 54.85 12.43 19.41 31.84 113.53 -108.91 -68.87 145.13 64.89 34.40 0.71 58.97 4.16 0.94 0.26 0.42 0.00 32.97 2.29 44 L C C 47.26 17.29 17.04 33.73 102.71 -135.74 -82.63 16.00 84.24 11.66 4.11 51.65 22.48 10.88 1.35 2.71 0.01 8.15 2.76 45 T C C 51.97 14.51 16.05 30.12 110.54 80.22 -101.91 76.11 89.16 6.31 4.54 49.89 28.99 11.00 1.80 2.57 0.01 3.41 2.34 46 T C C 54.32 7.27 16.41 24.90 127.10 145.62 -106.50 162.69 88.13 3.72 8.15 51.95 33.23 3.02 6.57 1.69 0.00 1.16 2.37 47 E H H 136.79 3.00 15.32 19.54 92.07 -107.43 -60.60 -37.30 15.40 0.25 84.35 4.15 4.69 8.01 78.88 3.94 0.08 0.11 0.14 48 S H H 63.68 2.94 18.22 21.24 92.08 53.23 -64.96 -39.80 12.33 0.22 87.45 3.08 2.16 7.61 82.02 4.82 0.08 0.13 0.10 49 A H H 11.40 17.04 13.46 31.09 92.33 50.18 -65.84 -40.42 7.53 0.23 92.24 3.06 1.29 3.71 86.57 5.11 0.03 0.16 0.07 50 M H H 58.21 13.02 15.95 29.35 92.00 53.28 -63.77 -40.77 6.15 0.24 93.61 2.78 1.12 2.80 89.47 3.58 0.02 0.16 0.06 51 K H H 119.70 1.86 21.04 21.41 91.98 51.90 -64.31 -40.93 9.30 0.50 90.20 3.79 1.69 4.64 86.63 2.73 0.06 0.33 0.14 52 K H H 79.84 7.38 17.79 26.28 92.29 50.56 -66.08 -39.71 10.78 0.98 88.24 4.87 2.04 4.99 84.65 2.44 0.09 0.65 0.27 53 I H H 26.19 18.50 12.47 30.52 92.69 50.40 -66.00 -41.26 9.37 1.19 89.43 4.93 1.72 3.75 85.89 2.55 0.06 0.81 0.28 54 E H H 121.16 4.42 17.12 22.64 93.35 49.75 -66.83 -38.28 10.82 0.59 88.59 3.62 1.61 6.14 84.50 3.43 0.11 0.40 0.18 55 D H H 109.86 1.45 17.29 17.82 95.69 45.50 -78.26 -29.57 18.05 0.33 81.62 2.81 2.45 13.26 77.97 2.98 0.18 0.17 0.16 56 N H H 77.62 8.18 15.45 24.55 99.99 28.76 -98.78 4.42 43.85 0.33 55.82 5.73 8.41 29.66 53.39 2.35 0.09 0.11 0.25 57 N C T 80.12 9.35 18.16 28.40 95.98 -127.89 57.97 39.30 98.40 1.03 0.58 32.64 12.08 53.87 0.15 0.32 0.00 0.82 0.12 58 T C E 19.29 17.08 18.77 36.20 128.05 135.60 -117.35 148.26 52.71 47.23 0.06 46.36 4.75 0.21 0.01 0.05 0.00 47.85 0.76 59 L E E 13.74 20.33 23.07 43.26 115.87 -132.48 -93.99 130.68 11.67 88.32 0.01 11.38 0.30 0.02 0.00 0.01 0.00 88.01 0.29 60 V E E 16.16 20.28 24.72 44.32 121.80 -162.16 -114.31 130.97 3.68 96.32 0.00 3.58 0.06 0.00 0.00 0.00 0.00 96.30 0.05 61 F E E 9.36 23.23 23.68 46.23 126.28 -170.46 -121.76 138.79 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.01 62 I E E 34.06 16.17 26.90 42.91 115.81 -149.18 -103.11 124.49 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.75 0.01 63 V E E 5.13 24.38 19.08 43.59 129.19 -174.69 -125.01 145.82 1.46 98.54 0.00 1.47 0.03 0.00 0.00 0.00 0.00 98.43 0.07 64 D E E 39.15 11.03 23.90 35.59 110.59 -109.76 -71.88 131.23 32.78 67.18 0.03 32.53 0.55 0.04 0.00 0.02 0.00 66.36 0.48 65 V C T 47.53 17.36 16.51 33.75 91.75 -134.88 -64.58 -22.92 97.72 1.37 0.92 0.90 5.14 92.05 0.04 0.78 0.00 0.96 0.12 66 K C T 139.46 2.78 22.25 25.38 92.80 61.62 -86.82 -3.37 98.78 0.47 0.75 0.90 4.53 93.45 0.03 0.71 0.00 0.33 0.06 67 A C C 10.66 21.22 10.29 31.36 117.10 118.47 -69.59 144.07 98.22 1.37 0.40 58.87 39.08 0.46 0.12 0.23 0.00 0.58 0.66 68 N C C 79.60 3.66 23.81 26.39 122.35 -126.79 -84.17 160.50 96.04 3.79 0.17 95.62 0.63 0.04 0.12 0.01 0.00 0.69 2.90 69 K H H 93.56 14.83 14.45 28.79 91.46 -108.61 -58.50 -38.47 0.98 0.00 99.02 0.09 0.09 0.68 99.02 0.13 0.00 0.00 0.00 70 H H H 126.29 2.17 21.58 23.06 91.60 53.55 -64.11 -40.53 0.47 0.00 99.53 0.03 0.03 0.36 99.46 0.12 0.00 0.00 0.00 71 Q H H 66.20 9.10 20.50 30.21 91.90 49.08 -65.44 -40.82 0.12 0.00 99.88 0.01 0.01 0.08 99.81 0.08 0.00 0.00 0.00 72 I H H 2.48 26.28 15.25 42.23 91.24 49.71 -63.57 -43.55 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 73 K H H 78.05 13.54 21.78 34.49 91.46 51.26 -62.14 -42.27 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 74 Q H H 95.30 2.61 25.99 27.35 91.56 49.77 -64.10 -42.12 0.16 0.00 99.84 0.00 0.00 0.14 99.84 0.01 0.00 0.00 0.00 75 A H H 8.99 15.89 20.51 37.36 91.39 50.13 -63.84 -43.06 0.13 0.00 99.87 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 76 V H H 2.71 25.74 16.60 42.82 91.71 49.46 -64.63 -42.73 0.11 0.00 99.89 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 77 K H H 98.99 9.05 19.87 29.30 91.87 51.56 -63.74 -40.52 0.15 0.00 99.85 0.01 0.01 0.12 99.78 0.09 0.00 0.00 0.00 78 K H H 130.22 3.00 21.74 24.57 92.91 48.92 -68.49 -38.23 0.47 0.00 99.53 0.01 0.01 0.45 99.34 0.18 0.00 0.00 0.00 79 L H H 39.79 16.18 17.43 33.29 98.53 37.51 -82.72 -36.03 2.29 0.00 97.71 0.04 0.07 2.21 97.52 0.15 0.00 0.00 0.00 80 Y H H 34.46 19.00 15.34 34.05 108.37 19.55 -118.09 10.46 24.79 0.12 75.09 1.71 4.24 18.17 75.24 0.46 0.06 0.03 0.10 81 D C T 110.22 2.62 22.40 25.13 96.30 -120.61 46.45 49.22 99.63 0.12 0.25 26.86 10.67 62.17 0.11 0.09 0.00 0.08 0.03 82 I C C 16.32 21.41 11.60 32.87 128.33 139.43 -118.69 148.89 90.28 9.69 0.03 83.11 7.12 0.10 0.01 0.02 0.00 9.15 0.49 83 D C C 81.35 4.15 25.48 29.60 111.09 -128.45 -91.23 121.21 79.42 20.56 0.02 79.26 0.62 0.05 0.00 0.01 0.00 19.73 0.33 84 V E E 19.59 23.34 12.26 35.08 112.32 -151.57 -88.59 124.34 16.87 83.09 0.04 17.77 0.23 0.02 0.01 0.02 0.00 80.80 1.14 85 A E E 52.36 6.16 21.51 28.40 99.26 -172.65 -84.75 -35.40 16.03 83.91 0.06 8.19 7.51 0.59 0.00 0.06 0.00 83.52 0.13 86 K E E 94.79 5.13 24.11 29.94 138.51 -3.66 -151.79 151.37 4.42 95.55 0.02 2.77 1.21 0.17 0.00 0.02 0.00 95.79 0.04 87 V E E 32.72 22.08 13.51 34.60 123.96 -159.66 -125.65 129.47 4.06 95.94 0.01 3.70 0.15 0.01 0.00 0.00 0.00 96.10 0.04 88 N E E 58.64 7.96 23.25 31.66 128.27 -175.71 -128.28 144.24 1.78 98.22 0.00 1.56 0.07 0.00 0.00 0.00 0.00 98.35 0.02 89 T E E 43.18 16.24 16.11 32.21 122.37 -149.38 -110.03 135.24 0.87 99.13 0.00 0.78 0.03 0.00 0.00 0.00 0.00 99.18 0.01 90 L E E 47.60 10.62 18.22 30.25 124.66 -170.08 -122.40 139.34 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 91 I E E 79.83 8.42 15.15 25.20 114.65 -141.37 -101.75 122.85 1.00 99.00 0.00 0.96 0.03 0.00 0.00 0.00 0.00 98.81 0.21 92 R C C 72.66 9.35 10.40 21.46 122.65 -147.53 -84.97 162.42 96.72 3.26 0.01 97.03 0.25 0.03 0.00 0.01 0.00 2.52 0.17 93 P C T 117.34 1.78 10.83 13.77 90.76 -103.33 -59.70 -27.35 98.82 0.18 1.00 0.43 2.55 95.80 0.02 1.06 0.00 0.12 0.03 94 D C T 116.70 1.06 11.61 12.56 92.44 55.97 -86.11 0.18 98.99 0.05 0.96 0.25 2.13 96.61 0.02 0.96 0.00 0.02 0.01 95 G C S 44.70 3.84 12.33 17.79 98.28 -102.12 88.47 6.04 98.67 0.41 0.93 13.91 83.09 1.88 0.06 0.71 0.00 0.19 0.16 96 E C C 78.54 6.58 13.07 21.69 118.31 136.51 -77.83 145.60 96.31 3.67 0.02 95.32 1.48 0.07 0.00 0.01 0.00 2.59 0.51 97 K E E 79.19 11.33 15.16 27.60 119.99 -132.83 -101.36 138.11 1.57 98.42 0.00 1.49 0.05 0.00 0.00 0.00 0.00 98.22 0.24 98 K E E 61.52 12.88 19.38 32.64 131.79 -174.03 -130.55 149.85 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 99 A E E 12.11 19.10 18.84 38.23 124.70 -153.90 -115.47 139.34 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 100 Y E E 41.88 14.40 23.30 38.12 124.98 -165.02 -120.87 137.43 0.55 99.45 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.01 101 V E E 10.30 22.10 19.39 41.57 122.91 -159.60 -117.52 133.81 1.21 98.79 0.00 1.13 0.02 0.00 0.00 0.00 0.00 98.84 0.01 102 R E E 87.30 10.93 25.88 36.89 121.07 -158.54 -110.49 134.24 2.54 97.46 0.00 2.36 0.07 0.00 0.00 0.00 0.00 97.48 0.09 103 L E E 20.16 21.73 15.17 36.67 116.51 -129.27 -84.97 136.39 17.78 82.21 0.01 17.25 0.51 0.01 0.00 0.00 0.00 79.03 3.19 104 A C C 27.16 10.45 17.04 29.25 115.42 -110.38 -68.38 149.51 97.48 2.50 0.02 96.68 1.07 0.07 0.00 0.01 0.00 2.00 0.17 105 P C T 93.13 5.56 15.25 22.27 92.37 -110.87 -60.82 -29.20 97.95 0.55 1.50 2.35 7.22 88.47 0.15 1.31 0.00 0.35 0.16 106 D C T 119.44 1.45 17.42 18.16 95.25 51.84 -87.36 6.98 97.77 0.47 1.77 4.79 5.73 87.23 0.22 1.59 0.00 0.32 0.12 107 Y C C 52.44 18.31 9.75 27.01 115.81 123.63 -85.58 133.35 89.68 5.17 5.15 73.44 12.23 3.49 1.93 3.35 0.00 2.46 3.11 108 D C C 89.90 4.61 21.73 26.58 108.76 -157.78 -99.43 98.92 88.61 4.38 7.02 80.09 4.45 4.42 3.91 2.60 0.00 2.46 2.08 109 A C C 26.27 19.74 14.42 33.04 96.35 141.34 -71.58 -23.81 61.43 5.28 33.29 35.08 12.57 14.44 20.40 12.38 0.08 3.07 1.97 110 L C C 65.49 12.29 17.45 29.80 94.82 68.64 -74.29 -21.73 58.36 5.11 36.54 30.38 15.01 13.89 24.69 11.14 0.14 3.01 1.74 111 D C C 72.92 6.14 20.18 26.78 96.65 64.49 -81.16 0.48 58.42 4.02 37.55 44.94 6.43 7.31 29.16 8.32 0.01 2.50 1.33 112 V H H 23.05 16.60 15.56 32.53 93.96 90.76 -66.70 -39.71 17.69 1.28 81.03 7.99 4.07 7.72 72.16 6.62 0.20 0.82 0.42 113 A H H 22.58 15.65 14.11 30.00 92.48 53.28 -63.92 -41.02 13.83 1.11 85.07 4.45 2.46 7.86 75.02 8.85 0.21 0.83 0.31 114 N H H 106.37 2.62 17.08 20.16 92.72 50.08 -67.38 -36.46 14.38 0.91 84.71 3.98 2.29 8.54 72.60 11.44 0.20 0.67 0.26 115 K H H 119.27 5.06 15.68 21.87 93.42 52.13 -71.07 -31.69 21.58 0.99 77.44 3.89 3.21 14.91 67.13 9.38 0.43 0.66 0.38 116 I C H 56.52 13.32 12.32 25.85 97.51 44.75 -93.22 -3.79 49.93 1.42 48.66 3.84 6.28 38.96 42.42 6.49 0.49 0.77 0.75 117 G C T 51.29 3.26 16.30 20.48 97.24 -114.06 73.57 19.03 96.48 1.01 2.51 17.32 7.01 72.70 1.35 0.75 0.00 0.63 0.25 118 I C C 64.01 12.17 11.17 23.91 106.47 127.55 -93.63 49.76 91.61 7.51 0.87 88.91 1.67 1.48 0.48 0.24 0.00 4.52 2.69 119 I C C 83.01 10.59 15.62 26.51 115.83 108.65 -104.72 126.05 98.55 1.43 0.03 98.59 0.22 0.05 0.01 0.00 0.00 1.01 0.12