# 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 118.82 4.44 11.31 17.27 113.86 -152.42 -89.32 133.24 99.91 0.07 0.02 99.85 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 A C C 71.57 4.35 8.67 14.74 111.66 -126.38 -83.13 135.94 81.43 1.47 17.10 72.75 1.54 8.63 10.99 4.52 0.00 0.79 0.78 2 D C C 106.13 2.53 9.42 13.46 108.71 -143.46 -89.02 103.29 76.50 1.75 21.75 43.33 16.50 17.05 13.54 7.80 0.01 0.84 0.93 3 D C C 99.12 3.42 9.25 14.26 104.45 61.52 -87.27 45.24 70.55 1.84 27.61 45.97 13.22 11.19 18.94 8.81 0.01 0.88 1.00 4 V C H 92.22 4.36 9.09 15.10 103.55 113.92 -81.38 4.12 54.03 1.78 44.19 31.80 10.77 12.51 32.64 10.53 0.03 0.90 0.82 5 D C H 103.90 2.61 10.61 14.51 101.62 59.68 -82.68 8.89 54.76 1.33 43.90 31.92 9.98 13.69 33.14 9.94 0.02 0.67 0.64 6 Q C H 116.57 3.65 9.84 15.08 103.14 68.93 -84.63 21.76 55.18 1.42 43.40 32.74 11.28 12.09 33.49 9.02 0.02 0.68 0.68 7 Q C C 116.59 3.80 10.17 15.67 105.99 85.51 -84.85 51.34 61.81 2.02 36.18 40.23 11.41 10.43 30.16 5.88 0.02 0.99 0.88 8 Q C C 118.10 3.87 10.57 16.11 108.22 71.77 -88.01 93.69 71.11 2.66 26.23 50.37 11.30 8.47 23.16 4.22 0.01 1.42 1.06 9 T C C 87.70 4.71 10.40 16.73 110.18 75.01 -91.92 108.13 75.89 3.17 20.95 56.46 9.17 9.03 18.32 3.96 0.00 1.87 1.19 10 T C C 87.33 4.88 10.91 17.43 110.36 -149.13 -96.11 109.17 75.62 3.36 21.01 47.54 14.00 13.38 17.27 4.61 0.01 1.86 1.32 11 N C C 105.19 4.50 11.58 17.61 105.73 -159.44 -90.55 60.93 76.98 3.44 19.59 43.92 18.86 14.10 14.77 5.14 0.02 1.82 1.38 12 T C C 82.69 5.39 11.92 18.77 108.57 116.17 -92.96 57.24 72.30 4.75 22.96 44.71 16.27 11.17 17.40 6.00 0.02 2.63 1.80 13 V C C 77.69 7.82 10.16 19.36 109.58 120.12 -88.51 114.11 71.15 5.14 23.71 43.51 15.65 11.88 18.26 5.86 0.03 2.81 2.00 14 E C C 125.11 3.62 13.57 18.48 101.20 61.00 -81.55 -20.16 73.15 2.17 24.67 41.18 21.55 10.18 20.88 4.27 0.01 0.95 0.98 15 E C C 100.00 4.46 14.41 19.99 112.11 46.51 -89.93 129.06 70.69 0.60 28.72 43.00 21.21 4.03 30.00 1.30 0.00 0.19 0.27 16 P H H 57.65 10.00 13.60 24.72 94.79 -104.47 -63.29 -38.20 21.10 0.23 78.67 10.67 2.77 7.68 76.26 2.40 0.01 0.11 0.09 17 L H H 72.49 9.25 15.26 25.35 93.16 52.85 -65.42 -38.07 9.74 0.15 90.11 3.57 1.31 4.91 87.35 2.70 0.02 0.08 0.06 18 D H H 75.55 3.39 17.63 21.44 92.51 52.37 -65.38 -39.44 5.26 0.14 94.60 2.95 0.68 1.90 91.80 2.54 0.00 0.09 0.03 19 L H H 55.39 9.09 16.47 26.90 92.30 51.35 -64.50 -41.87 2.03 0.07 97.91 0.81 0.23 1.00 96.00 1.88 0.00 0.05 0.01 20 I H H 35.92 17.02 14.82 31.69 92.09 50.23 -64.75 -40.93 1.67 0.05 98.29 0.45 0.16 0.98 96.27 2.09 0.00 0.03 0.01 21 R H H 130.30 5.72 18.44 25.30 91.57 52.86 -63.70 -38.66 3.57 0.05 96.37 0.54 0.28 2.54 93.45 3.14 0.02 0.03 0.01 22 L H H 96.37 3.99 19.76 23.99 91.68 53.41 -68.19 -27.46 14.87 0.05 85.08 0.74 0.79 13.07 82.15 3.16 0.03 0.02 0.03 23 S C H 19.30 16.17 14.83 31.60 95.91 47.65 -93.64 -7.29 50.76 0.67 48.57 5.16 3.01 40.63 46.28 4.20 0.06 0.33 0.34 24 L C T 51.87 15.47 13.97 29.53 108.46 114.91 -66.28 127.18 92.61 2.23 5.16 3.01 3.35 87.23 3.05 1.37 0.01 1.18 0.80 25 D C T 107.64 3.36 20.95 24.61 94.78 21.63 64.71 10.41 96.47 1.69 1.83 1.93 5.46 89.65 0.42 0.92 0.00 1.46 0.16 26 E C S 73.76 9.88 16.74 27.70 124.88 109.19 -95.62 151.37 92.67 6.99 0.34 43.63 47.83 1.05 0.09 0.18 0.00 6.95 0.28 27 R E E 119.06 8.06 20.81 29.59 114.01 -113.89 -82.65 131.85 13.33 86.62 0.05 13.12 0.36 0.05 0.02 0.02 0.00 85.94 0.49 28 I E E 8.46 22.97 14.99 38.28 129.25 -173.75 -125.49 147.08 1.31 98.69 0.00 1.30 0.03 0.00 0.00 0.00 0.00 98.63 0.03 29 Y E E 64.09 9.57 24.74 35.30 116.67 -137.35 -102.09 127.75 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 30 V E E 5.74 23.83 17.12 41.52 120.59 -167.20 -115.26 130.47 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 31 K E E 77.42 8.06 23.34 32.03 114.61 -151.54 -102.13 121.81 0.94 99.05 0.01 0.87 0.03 0.00 0.00 0.00 0.00 99.07 0.02 32 M E E 21.50 18.48 12.34 30.79 124.57 -164.04 -100.16 163.59 27.54 72.26 0.21 25.37 1.23 0.24 0.04 0.13 0.00 72.58 0.40 33 R C T 126.75 6.90 15.83 23.47 104.28 -90.29 -66.25 137.98 75.28 13.19 11.53 3.65 9.19 63.61 0.38 11.44 0.00 10.94 0.78 34 N C T 106.27 3.70 15.18 19.81 95.53 24.96 15.31 14.69 89.99 0.44 9.57 1.69 7.25 79.31 0.23 11.11 0.00 0.28 0.13 35 D C T 106.55 4.13 15.18 20.61 95.22 -91.07 67.70 19.14 90.33 1.10 8.57 8.52 30.64 49.71 0.24 9.89 0.00 0.75 0.25 36 R E E 81.66 9.85 14.48 25.83 119.89 140.23 -89.55 142.71 43.01 56.91 0.08 39.34 1.39 0.37 0.01 0.05 0.00 58.45 0.38 37 E E E 70.97 12.21 18.78 31.52 126.26 -160.61 -120.97 140.06 1.45 98.54 0.00 1.26 0.07 0.00 0.00 0.00 0.00 98.64 0.02 38 L E E 12.56 20.71 18.13 39.10 126.11 -169.14 -123.34 137.85 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 39 R E E 92.76 10.67 25.13 35.86 122.67 -159.86 -113.31 135.82 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.76 0.00 40 G E E 5.25 18.16 20.59 39.17 143.57 127.84 -157.47 -171.30 0.84 99.16 0.00 0.66 0.08 0.00 0.00 0.00 0.00 99.25 0.00 41 R E E 84.32 9.07 26.38 36.57 125.15 -92.73 -121.63 139.98 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 42 L E E 9.10 24.23 15.93 40.89 110.33 -115.31 -74.94 127.27 1.73 98.27 0.01 1.58 0.06 0.00 0.00 0.00 0.00 98.32 0.03 43 H E E 74.21 8.60 23.82 33.16 101.62 174.76 -101.16 -27.72 4.03 95.95 0.02 3.14 0.61 0.05 0.00 0.01 0.00 96.14 0.04 44 A E E 27.42 9.64 23.63 34.36 143.36 -7.33 -160.12 158.35 3.13 96.85 0.02 2.57 0.34 0.03 0.00 0.01 0.00 96.98 0.06 45 Y E E 71.01 18.68 13.53 31.39 134.36 -165.31 -143.92 149.81 4.40 95.55 0.05 3.92 0.35 0.05 0.02 0.02 0.00 94.44 1.20 46 D C C 54.82 6.46 17.24 24.86 131.77 -164.16 -122.63 176.74 71.49 28.34 0.17 66.43 2.71 0.71 0.03 0.12 0.00 29.10 0.90 47 Q C T 142.78 2.56 14.70 18.49 91.72 -88.84 -65.31 -22.46 98.48 0.22 1.30 0.79 8.97 88.61 0.05 1.39 0.00 0.14 0.06 48 H C T 120.61 3.67 16.17 20.52 94.53 51.13 -91.90 2.01 98.78 0.11 1.11 1.00 9.43 88.22 0.04 1.21 0.00 0.06 0.04 49 L C S 48.82 15.14 14.76 29.89 94.73 -107.83 69.46 24.29 96.00 2.58 1.42 30.74 33.91 31.25 0.11 1.66 0.00 1.70 0.63 50 N C C 42.84 9.69 21.09 32.02 115.39 150.61 -82.48 140.51 84.45 15.43 0.12 68.17 7.75 6.32 0.02 0.11 0.00 17.17 0.47 51 M E E 14.29 22.96 17.70 40.61 122.01 -152.08 -112.29 134.30 1.67 98.32 0.00 1.62 0.06 0.00 0.00 0.00 0.00 98.03 0.28 52 I E E 34.11 12.28 25.90 38.96 120.91 -165.28 -116.28 132.02 0.15 99.85 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.80 0.04 53 L E E 17.98 22.08 18.33 40.25 116.12 -150.39 -96.22 128.47 1.68 98.31 0.01 1.50 0.15 0.02 0.00 0.01 0.00 98.27 0.05 54 G E E 16.49 10.71 21.89 33.30 131.08 167.95 -127.00 -168.55 14.30 85.65 0.06 9.43 3.85 0.30 0.00 0.04 0.00 86.30 0.07 55 D E E 81.11 6.15 23.93 30.21 109.56 -39.80 -77.68 121.13 15.20 84.76 0.04 12.48 1.57 0.12 0.00 0.03 0.00 85.70 0.10 56 V E E 19.51 22.61 12.36 34.38 121.65 -167.67 -111.67 136.00 6.02 93.95 0.02 5.78 0.16 0.01 0.01 0.01 0.00 93.88 0.15 57 E E E 88.31 6.04 23.61 30.11 123.33 -167.89 -120.14 137.08 1.20 98.78 0.02 1.03 0.08 0.01 0.01 0.01 0.00 98.77 0.09 58 E E E 59.28 17.27 14.33 31.09 123.94 -163.28 -117.19 135.93 2.08 97.69 0.23 1.76 0.24 0.11 0.08 0.11 0.00 97.62 0.08 59 T E E 54.35 7.49 18.97 27.77 121.95 -166.89 -118.39 135.10 6.46 92.85 0.68 5.45 0.74 0.35 0.34 0.35 0.00 92.48 0.29 60 V E E 56.57 12.72 13.60 27.21 119.55 -158.67 -108.55 129.28 19.72 79.01 1.27 16.55 2.22 0.65 0.72 0.58 0.00 78.70 0.57 61 T E E 58.05 7.47 15.34 24.47 122.76 -168.69 -113.76 139.47 35.91 62.46 1.64 29.20 5.03 1.27 0.72 0.79 0.00 62.36 0.64 62 T E E 79.61 6.67 13.51 21.73 117.29 -140.92 -103.43 131.83 38.68 59.49 1.83 32.73 4.37 1.25 0.69 0.93 0.00 59.15 0.87 63 I E E 76.00 8.49 11.11 21.30 120.38 -162.58 -111.97 134.50 38.50 59.59 1.91 32.58 4.65 1.36 0.80 0.94 0.00 58.03 1.63 64 E E E 130.56 2.91 13.45 17.69 114.16 -135.17 -89.96 128.06 47.60 50.89 1.51 41.12 4.57 1.28 0.61 0.76 0.00 50.24 1.41 65 I C C 76.91 9.29 8.27 18.71 118.04 -165.58 -107.43 135.28 73.43 25.08 1.50 59.82 10.06 2.24 0.71 0.78 0.00 24.77 1.62 66 D C C 92.27 2.40 12.04 15.25 115.01 -155.73 -98.44 147.30 93.63 5.14 1.22 80.76 10.40 2.47 0.65 0.53 0.00 4.41 0.77 67 E C T 138.72 2.92 9.93 14.41 95.86 -106.54 -65.13 -32.13 62.22 0.68 37.10 10.55 12.73 38.72 24.68 12.53 0.05 0.35 0.40 68 E C T 142.75 1.24 11.62 12.90 96.89 50.82 -75.29 -25.69 61.80 0.61 37.60 7.65 9.92 43.62 25.02 13.00 0.08 0.32 0.39 69 T C T 64.77 4.91 10.50 17.13 102.84 45.77 -90.86 -11.45 56.41 3.03 40.56 14.57 9.36 32.24 27.07 13.58 0.21 1.89 1.09 70 Y H H 101.19 8.90 9.34 19.26 97.19 105.38 -68.64 -25.36 30.08 7.18 62.75 18.76 5.76 7.45 49.97 10.75 0.13 6.04 1.12 71 E H H 122.46 2.78 13.20 17.01 95.36 68.84 -70.84 -32.10 22.92 12.30 64.77 12.06 4.35 7.41 51.31 11.69 0.19 12.02 0.97 72 E H H 115.60 3.12 14.16 18.11 96.06 56.57 -75.90 -23.13 20.84 17.14 62.02 10.91 3.61 6.51 49.92 10.45 0.13 17.53 0.93 73 I H H 66.21 10.32 11.97 23.14 100.75 55.88 -86.75 -23.12 20.40 24.27 55.33 11.53 3.42 5.47 47.51 6.56 0.09 24.19 1.22 74 Y H H 102.92 10.44 12.01 23.11 112.18 75.30 -94.16 112.22 27.56 34.55 37.88 17.24 4.21 5.65 33.84 4.55 0.08 32.48 1.95 75 K C E 127.52 3.86 14.80 19.87 113.66 98.25 -100.54 127.53 42.89 34.74 22.36 26.36 7.11 7.80 19.57 3.84 0.05 33.68 1.60 76 S C E 62.99 8.87 11.73 21.53 119.76 -132.67 -102.97 144.25 46.72 40.71 12.57 30.33 7.83 7.52 9.08 3.34 0.02 40.36 1.52 77 T E E 67.32 7.09 13.13 21.79 122.87 -168.08 -120.54 141.81 43.02 53.62 3.36 32.25 7.13 3.23 1.98 1.19 0.00 52.76 1.45 78 K E E 133.99 5.44 12.99 20.48 117.95 -144.90 -103.80 132.14 33.59 65.59 0.82 24.98 7.40 1.29 0.35 0.38 0.00 64.84 0.77 79 R E E 107.20 8.61 12.98 22.99 124.29 -174.40 -119.63 139.65 22.50 77.17 0.33 15.66 6.29 0.72 0.13 0.19 0.00 75.93 1.09 80 N E E 108.53 4.30 15.98 21.84 112.92 -136.35 -93.91 126.98 22.75 77.14 0.11 19.81 2.03 0.27 0.05 0.07 0.00 72.93 4.84 81 I E E 39.23 16.20 11.81 28.13 119.91 -169.31 -115.87 126.87 43.39 56.58 0.03 41.62 1.31 0.07 0.00 0.03 0.00 56.25 0.72 82 P C C 67.73 5.79 19.79 26.21 108.17 -124.35 -69.21 142.75 59.23 40.73 0.04 43.68 12.57 0.30 0.00 0.04 0.00 43.23 0.18 83 M E E 71.69 13.44 16.97 30.33 126.64 -71.93 -117.45 140.45 14.84 85.12 0.04 13.09 1.00 0.07 0.00 0.03 0.00 85.64 0.17 84 L E E 30.82 16.60 18.28 35.27 124.03 -166.78 -120.87 134.23 1.61 98.39 0.00 1.44 0.09 0.00 0.00 0.00 0.00 98.43 0.03 85 F E E 79.75 11.15 23.05 34.52 116.82 -147.67 -102.41 126.18 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.71 0.02 86 V E E 13.13 21.72 16.88 38.64 121.07 -168.68 -117.87 131.44 3.38 96.62 0.00 3.34 0.05 0.00 0.00 0.00 0.00 96.48 0.12 87 R C C 107.41 7.81 22.88 31.03 119.19 -148.10 -95.86 140.79 67.09 32.86 0.06 63.31 2.21 0.13 0.01 0.04 0.00 33.90 0.41 88 G H G 28.09 12.72 18.56 30.72 107.64 -40.38 54.16 -107.74 34.69 4.06 61.25 6.99 10.02 17.36 0.90 61.32 0.00 3.07 0.33 89 D H G 103.22 4.46 22.01 26.57 94.34 14.84 -76.32 -9.27 32.07 3.10 64.83 1.57 5.04 23.71 0.65 66.52 0.00 2.27 0.23 90 G H G 15.76 15.71 17.55 33.46 96.81 60.73 -93.64 -2.75 27.31 4.94 67.75 4.32 4.71 17.29 0.67 68.09 0.00 4.75 0.16 91 V E E 16.21 22.49 15.76 37.96 121.41 90.17 -105.31 134.23 11.46 88.43 0.11 10.99 0.58 0.06 0.04 0.06 0.00 87.77 0.51 92 V E E 47.38 12.29 22.89 35.35 123.25 -169.44 -120.55 132.05 2.47 97.51 0.01 2.33 0.13 0.01 0.00 0.00 0.00 97.47 0.04 93 L E E 63.96 13.09 21.88 34.80 117.72 -142.94 -99.38 130.08 0.79 99.21 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.19 0.02 94 V E E 35.51 16.88 16.73 33.73 121.07 -167.77 -116.37 128.59 3.47 96.52 0.01 3.33 0.13 0.01 0.01 0.00 0.00 96.28 0.24 95 A E E 47.86 8.47 17.89 27.59 130.47 174.56 -132.70 146.93 46.70 53.28 0.02 42.65 2.33 0.07 0.00 0.02 0.00 54.44 0.50 96 P C C 67.50 8.23 15.01 24.46 116.81 -99.12 -68.13 152.77 87.23 12.18 0.59 72.39 11.45 2.00 0.09 0.56 0.00 13.05 0.46 97 P C C 84.70 5.91 13.75 21.20 111.91 -87.51 -65.76 146.45 92.05 4.44 3.51 68.42 13.85 9.18 0.54 3.51 0.00 3.83 0.66 98 L C C 110.09 5.67 10.46 17.93 110.10 -120.62 -82.30 126.43 83.51 11.14 5.36 60.08 13.54 9.34 1.02 4.96 0.00 8.30 2.77 99 R C C 164.10 2.94 9.73 14.60 114.76 -146.41 -97.64 128.34 78.73 17.93 3.34 62.15 10.00 5.45 1.05 2.49 0.00 12.67 6.19 100 V C C 115.56 2.70 7.77 12.55 114.58 -161.90 -102.70 126.58 90.05 9.02 0.94 85.07 2.46 2.73 0.37 0.45 0.00 6.88 2.03 101 G C C 58.93 1.65 11.90 14.36 110.66 -1.67 78.21 16.53 99.91 0.08 0.01 99.75 0.13 0.06 0.00 0.00 0.00 0.04 0.01