# 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 99.90 9.29 14.17 24.18 114.50 -160.67 -90.68 132.02 99.94 0.06 0.00 99.90 0.05 0.01 0.00 0.00 0.00 0.03 0.01 1 R C C 126.22 8.31 14.98 24.29 115.92 -151.64 -96.90 133.70 93.47 5.99 0.54 91.42 1.00 1.76 0.15 0.28 0.00 3.77 1.63 2 T C C 62.75 11.03 18.09 29.14 114.78 -156.15 -94.42 131.19 88.00 11.34 0.66 58.39 25.33 4.81 0.18 0.59 0.00 7.25 3.45 3 V C C 11.60 23.47 12.80 35.90 124.48 -135.33 -116.44 136.75 86.68 13.09 0.23 81.02 5.72 0.53 0.09 0.16 0.00 7.15 5.34 4 R C C 119.64 5.15 24.38 30.18 127.93 -161.22 -119.08 152.17 92.21 7.67 0.12 91.21 1.71 0.15 0.05 0.06 0.00 4.15 2.68 5 L C T 79.44 13.64 16.17 29.74 110.29 -85.77 -60.87 134.10 98.47 1.39 0.14 0.35 1.71 97.06 0.00 0.08 0.00 0.62 0.18 6 G C T 29.07 8.98 20.74 30.83 96.90 24.64 90.47 -7.01 99.68 0.28 0.04 0.32 1.98 97.47 0.00 0.03 0.00 0.19 0.01 7 R C C 65.67 13.48 21.10 34.85 119.94 122.65 -83.14 148.55 94.34 5.65 0.01 90.21 3.86 0.09 0.00 0.01 0.00 5.66 0.18 8 I E E 32.24 17.35 23.00 40.11 115.80 -128.30 -93.38 129.74 1.51 98.49 0.00 1.59 0.04 0.00 0.00 0.00 0.00 97.16 1.21 9 V E E 4.75 23.96 21.09 44.97 130.57 -172.29 -125.58 148.33 1.14 98.86 0.00 1.10 0.03 0.00 0.00 0.00 0.00 98.78 0.09 10 T E E 24.48 14.25 25.16 39.82 119.92 -139.71 -110.14 132.75 9.69 90.29 0.02 9.61 0.21 0.02 0.00 0.01 0.00 89.87 0.28 11 P E E 11.49 20.16 16.58 37.48 111.53 -115.75 -69.83 132.86 42.71 56.25 1.04 38.55 3.23 0.74 0.21 0.83 0.00 55.03 1.41 12 A C S 47.02 9.23 20.07 30.26 99.08 -169.61 -96.60 -7.38 95.82 3.05 1.13 46.11 46.47 3.44 0.13 1.14 0.00 2.18 0.54 13 L C S 70.11 8.00 14.92 24.50 123.29 83.31 -107.79 142.01 96.06 2.29 1.65 19.75 73.06 3.40 0.37 1.00 0.00 0.91 1.52 14 K C G 138.63 2.61 15.86 19.25 114.99 -11.18 56.87 -157.29 59.90 0.65 39.45 4.72 23.81 29.53 1.39 39.83 0.00 0.27 0.44 15 E C G 152.85 1.59 15.25 17.02 93.73 -10.07 -69.33 -16.60 54.16 0.20 45.64 1.35 6.29 43.02 0.98 48.16 0.00 0.09 0.10 16 R C G 80.47 12.78 11.37 24.56 97.42 51.10 -100.04 5.69 55.02 0.67 44.31 4.71 6.00 40.41 1.23 47.03 0.00 0.38 0.24 17 R C T 109.39 9.76 13.16 24.14 111.50 127.78 -65.64 134.29 96.98 0.80 2.22 1.99 2.62 92.73 0.37 1.44 0.00 0.34 0.51 18 H C T 133.70 4.12 19.77 24.53 93.26 17.00 72.85 5.41 98.56 0.35 1.09 1.47 3.76 93.40 0.08 0.97 0.00 0.26 0.06 19 T C C 39.43 12.54 17.73 31.22 119.64 127.96 -86.07 143.53 91.27 8.40 0.33 79.79 9.99 1.25 0.05 0.34 0.00 8.16 0.42 20 Y E E 72.60 13.33 23.82 37.02 118.07 -129.40 -91.55 135.54 3.39 96.56 0.04 3.22 0.20 0.03 0.03 0.02 0.00 95.72 0.79 21 A E E 2.54 24.25 20.94 45.36 138.46 175.22 -141.75 161.31 0.65 99.34 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 22 I E E 19.70 16.10 27.10 43.78 119.77 -124.86 -107.68 132.78 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 23 I E E 5.69 24.65 19.63 45.14 109.81 -125.90 -78.93 122.78 0.14 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 24 V E E 41.37 12.81 23.82 36.79 102.74 174.82 -102.00 -23.81 1.58 98.39 0.03 1.18 0.22 0.04 0.01 0.01 0.00 98.52 0.02 25 G E E 23.13 7.55 25.44 33.92 144.09 -19.77 -166.72 163.57 3.98 95.97 0.05 2.26 1.21 0.19 0.01 0.03 0.00 96.26 0.03 26 I E E 52.35 18.40 13.33 30.94 112.21 -119.70 -94.63 119.02 4.08 95.87 0.05 3.76 0.36 0.06 0.02 0.03 0.00 95.43 0.34 27 I E E 88.95 5.26 17.37 23.93 100.37 176.72 -91.45 -35.79 31.22 68.59 0.19 20.18 10.14 1.89 0.04 0.17 0.00 66.78 0.80 28 D C E 71.77 2.59 20.45 22.40 138.87 -18.22 -158.82 173.93 57.35 42.40 0.25 13.30 34.69 9.70 0.03 0.27 0.00 40.85 1.16 29 V C T 98.13 8.56 15.27 24.83 91.96 -83.09 -66.35 -19.99 99.42 0.39 0.19 1.37 35.72 62.41 0.01 0.18 0.00 0.26 0.06 30 T C T 68.97 8.91 17.16 26.70 103.14 34.30 -110.86 -6.67 99.08 0.82 0.11 1.29 33.11 64.76 0.00 0.11 0.00 0.69 0.04 31 F E E 58.70 10.44 20.47 32.25 131.52 59.69 -131.47 144.53 2.81 97.18 0.00 2.40 0.24 0.01 0.00 0.00 0.00 97.23 0.12 32 V E E 4.84 23.19 16.57 40.51 129.78 -173.47 -129.61 146.56 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 33 L E E 29.67 10.46 25.27 37.38 115.81 -135.91 -98.57 129.22 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 34 L E E 6.55 22.84 16.62 40.04 126.52 -171.96 -120.15 142.23 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 35 Q E E 61.97 8.21 20.65 30.14 115.15 -138.41 -102.22 126.26 0.82 99.18 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.14 0.06 36 R C C 58.98 12.22 12.37 25.67 122.53 -149.09 -87.67 167.10 83.18 16.78 0.03 82.53 0.66 0.08 0.00 0.02 0.00 16.20 0.49 37 K C T 147.31 3.68 12.33 17.75 91.95 -97.49 -62.15 -27.39 98.93 0.45 0.62 1.26 7.57 90.10 0.02 0.66 0.00 0.33 0.07 38 D C T 120.55 0.84 12.80 12.75 94.02 52.50 -86.83 2.32 99.31 0.13 0.57 0.90 6.86 91.53 0.02 0.58 0.00 0.08 0.03 39 G C S 45.83 4.61 11.49 17.88 98.53 -101.32 88.38 3.98 97.96 1.60 0.44 17.56 79.03 1.64 0.05 0.32 0.00 0.97 0.43 40 E C C 110.57 2.54 15.19 18.68 117.91 135.03 -80.07 143.42 96.33 3.64 0.03 93.77 2.66 0.15 0.00 0.02 0.00 3.12 0.27 41 R E E 106.76 13.53 11.19 24.72 121.68 -139.96 -103.47 136.29 29.36 70.63 0.01 28.19 0.72 0.03 0.00 0.01 0.00 70.65 0.39 42 E E E 79.35 7.33 19.19 27.79 132.71 178.05 -136.32 151.19 0.97 99.03 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.07 0.03 43 I E E 88.98 10.97 17.97 29.41 116.27 -122.77 -89.47 131.81 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 44 C E E 15.18 16.99 15.66 33.48 133.84 175.15 -136.84 154.24 1.24 98.76 0.00 1.14 0.03 0.00 0.00 0.00 0.00 98.81 0.02 45 S E E 41.05 6.19 23.29 29.97 114.17 -106.33 -71.66 142.40 7.82 92.17 0.01 7.80 0.15 0.01 0.00 0.00 0.00 91.84 0.19 46 V H G 23.88 22.53 12.86 34.90 91.57 -125.27 -60.84 -31.17 9.60 0.67 89.74 1.18 1.21 6.21 0.67 90.05 0.00 0.65 0.02 47 A H G 76.41 4.01 21.11 26.21 89.59 65.66 -68.09 -17.68 10.26 0.64 89.11 0.53 1.03 7.71 0.49 89.64 0.00 0.58 0.02 48 N H G 69.97 8.90 19.49 29.41 95.83 54.91 -96.15 1.78 10.33 0.88 88.79 1.13 1.43 6.89 0.47 89.22 0.00 0.82 0.03 49 L E E 9.33 25.43 11.31 36.49 120.47 94.29 -94.49 138.94 14.74 85.18 0.08 13.53 1.17 0.08 0.02 0.05 0.00 84.65 0.50 50 H E E 96.95 5.68 25.94 32.41 128.18 -172.36 -129.50 142.13 1.60 98.39 0.01 1.54 0.05 0.01 0.00 0.00 0.00 98.15 0.24 51 L E E 50.44 19.21 15.76 34.16 114.60 -118.43 -76.74 134.97 6.55 93.42 0.03 6.25 0.22 0.03 0.01 0.01 0.00 92.97 0.51 52 E C C 46.31 13.64 14.90 29.17 126.19 -155.17 -104.05 157.82 68.97 30.66 0.37 65.68 2.14 0.33 0.07 0.25 0.00 31.00 0.53 53 D C S 118.14 2.42 17.79 21.01 94.94 -131.71 -79.99 -11.20 80.91 18.47 0.62 15.24 61.11 3.41 0.10 0.39 0.00 19.29 0.46 54 E E E 97.57 6.11 16.78 24.29 120.40 80.62 -101.40 137.35 36.27 62.35 1.39 21.23 12.86 3.55 0.31 0.96 0.01 60.00 1.08 55 A E E 54.05 13.03 14.45 27.73 123.24 -160.17 -115.17 137.35 29.04 69.42 1.54 25.10 2.98 1.03 0.59 0.91 0.00 65.97 3.41 56 F E E 44.35 15.52 14.35 30.53 121.48 -160.83 -114.98 133.60 38.90 60.42 0.68 34.17 3.45 0.79 0.33 0.37 0.00 59.26 1.63 57 D C C 105.90 2.79 21.53 24.53 109.46 -129.26 -84.39 117.98 55.77 43.68 0.55 49.34 4.45 0.99 0.19 0.33 0.00 43.73 0.97 58 I C C 26.64 20.75 9.53 29.02 107.53 175.70 -108.86 54.31 89.24 9.64 1.11 85.37 2.95 1.10 0.34 0.66 0.00 8.28 1.29 59 K C C 148.54 2.51 16.38 20.22 112.66 144.85 -78.23 131.89 95.66 2.99 1.35 50.86 16.14 28.80 0.29 1.04 0.00 2.37 0.49 60 G C C 61.05 1.47 16.72 17.81 96.11 13.59 80.11 7.68 96.96 1.78 1.26 47.38 17.79 31.97 0.23 1.02 0.00 1.24 0.38 61 L C C 34.98 16.99 7.89 24.07 119.51 134.84 -89.60 141.29 97.83 1.54 0.63 90.36 7.04 0.63 0.31 0.23 0.00 0.85 0.58 62 S C C 56.03 2.49 19.84 21.31 121.33 -127.62 -82.57 160.94 96.38 1.85 1.78 94.40 1.67 0.56 1.46 0.23 0.00 0.67 1.01 63 A H H 60.70 10.36 11.98 23.19 91.79 -107.78 -58.08 -38.36 8.50 0.15 91.35 3.50 1.86 3.74 87.19 3.58 0.02 0.08 0.05 64 E H H 137.78 1.23 17.27 17.43 92.24 54.19 -65.10 -39.02 5.90 0.13 93.97 2.19 0.92 2.99 89.65 4.12 0.01 0.08 0.03 65 E H H 86.92 5.79 16.65 23.51 93.03 49.00 -67.46 -38.66 4.13 0.19 95.68 1.97 0.62 1.81 90.91 4.49 0.01 0.16 0.03 66 I H H 16.12 20.22 11.67 31.46 92.55 51.44 -64.56 -41.56 3.22 0.11 96.67 1.22 0.48 1.62 93.72 2.85 0.01 0.08 0.02 67 G H H 33.42 8.35 16.91 26.27 91.91 54.87 -64.42 -33.94 7.70 0.11 92.19 1.39 0.68 5.50 88.24 4.07 0.02 0.08 0.02 68 K H H 141.20 1.67 20.20 20.68 93.78 52.02 -73.62 -26.81 19.27 0.11 80.63 1.65 1.36 16.30 76.24 4.30 0.04 0.06 0.05 69 L H H 51.15 12.59 15.99 28.92 96.46 51.24 -75.74 -30.19 28.28 0.29 71.44 3.98 3.89 20.98 67.18 3.59 0.09 0.13 0.16 70 I C H 31.52 18.99 12.25 30.33 109.49 64.70 -95.46 100.33 53.42 1.78 44.80 27.25 15.71 11.99 33.76 9.52 0.06 0.77 0.93 71 P C C 73.70 6.77 15.87 23.69 103.79 -111.63 -69.88 82.59 59.21 1.04 39.75 27.46 6.99 24.40 24.16 15.89 0.01 0.56 0.52 72 E C T 133.54 3.90 15.19 20.29 101.92 -32.56 -82.86 3.80 61.29 1.12 37.59 22.98 10.85 28.18 19.12 17.64 0.03 0.51 0.68 73 D C C 72.19 8.74 12.24 21.98 108.96 104.63 -89.34 108.20 75.56 0.86 23.58 54.12 14.17 6.74 17.88 6.26 0.00 0.37 0.46 74 T C C 84.14 6.51 13.28 21.09 100.29 -162.31 -79.99 -10.99 62.49 1.77 35.74 42.17 10.44 9.57 29.58 6.62 0.01 0.95 0.66 75 Y C C 122.23 5.75 14.86 21.65 99.02 65.99 -78.39 -21.65 55.42 3.51 41.07 41.90 6.68 7.14 34.63 6.41 0.01 2.33 0.91 76 I H H 53.30 11.41 13.03 25.39 98.52 67.95 -75.80 -30.58 40.03 3.70 56.27 30.61 5.07 5.70 45.15 10.05 0.02 2.61 0.81 77 E H H 80.57 11.24 13.09 24.71 95.13 55.18 -67.25 -32.63 31.17 2.36 66.47 19.04 4.56 7.76 46.26 20.13 0.02 1.69 0.53 78 D H H 109.72 2.58 15.47 18.64 94.68 57.20 -74.95 -16.81 36.06 1.22 62.73 12.18 6.20 16.67 41.56 22.11 0.08 0.74 0.47 79 T C H 96.76 2.91 15.02 18.65 97.99 51.52 -94.15 -2.41 49.88 1.04 49.08 13.23 9.10 27.45 29.46 19.52 0.10 0.52 0.63 80 T C C 36.65 14.77 8.18 22.69 120.32 97.50 -92.08 146.88 90.42 1.76 7.82 52.58 34.23 3.54 6.51 1.37 0.00 0.50 1.27 81 N C C 75.30 3.39 16.79 20.48 123.28 -132.37 -86.73 170.08 93.78 2.00 4.21 86.34 5.57 1.43 4.09 0.50 0.00 0.64 1.44 82 D H H 97.08 4.71 14.33 20.49 91.69 -95.95 -60.42 -37.18 6.01 0.05 93.94 1.89 1.54 2.77 93.05 0.70 0.01 0.02 0.02 83 F H H 107.40 5.49 15.87 21.85 92.38 52.28 -65.22 -40.42 3.25 0.02 96.74 0.52 0.39 2.21 96.07 0.79 0.01 0.01 0.00 84 D H H 55.97 6.46 15.64 23.74 91.97 49.91 -65.54 -40.14 1.67 0.01 98.32 0.51 0.20 0.92 97.56 0.79 0.00 0.01 0.00 85 R H H 93.50 7.12 16.36 24.75 91.76 51.55 -63.82 -41.67 0.51 0.00 99.49 0.15 0.05 0.27 99.27 0.25 0.00 0.00 0.00 86 F H H 88.71 5.46 17.98 24.00 92.09 49.54 -64.52 -42.17 0.38 0.00 99.62 0.09 0.03 0.22 99.54 0.12 0.00 0.00 0.00 87 K H H 92.88 6.23 18.39 25.17 91.88 50.49 -64.66 -41.38 0.36 0.00 99.63 0.08 0.03 0.21 99.59 0.09 0.00 0.00 0.00 88 L H H 48.58 8.42 16.82 26.87 92.01 50.56 -64.12 -41.73 0.30 0.00 99.70 0.06 0.02 0.18 99.68 0.06 0.00 0.00 0.00 89 K H H 100.39 4.36 19.66 24.38 91.87 50.37 -64.19 -40.72 0.36 0.00 99.64 0.06 0.02 0.21 99.66 0.05 0.00 0.00 0.00 90 L H H 67.88 5.56 17.81 24.06 92.21 50.23 -64.36 -41.87 0.35 0.00 99.65 0.06 0.02 0.20 99.68 0.04 0.00 0.00 0.00 91 R H H 102.65 7.27 17.50 25.57 92.14 50.49 -64.88 -40.89 0.29 0.00 99.71 0.05 0.02 0.16 99.74 0.03 0.00 0.00 0.00 92 K H H 102.37 5.33 17.73 23.74 92.12 50.61 -64.63 -40.55 0.40 0.00 99.60 0.08 0.03 0.21 99.64 0.03 0.00 0.00 0.00 93 R H H 128.03 2.72 19.31 21.59 92.18 50.23 -64.63 -41.45 0.41 0.00 99.59 0.10 0.03 0.22 99.62 0.04 0.00 0.00 0.00 94 V H H 61.08 5.43 17.43 23.84 92.30 49.18 -64.71 -42.18 0.42 0.00 99.58 0.11 0.03 0.21 99.62 0.03 0.00 0.00 0.00 95 E H H 74.32 8.13 16.55 25.70 92.05 50.56 -63.98 -41.51 0.28 0.00 99.72 0.06 0.01 0.14 99.77 0.02 0.00 0.00 0.00 96 E H H 92.80 3.97 17.47 22.10 91.99 50.54 -64.33 -40.63 0.27 0.00 99.73 0.04 0.01 0.14 99.78 0.02 0.00 0.00 0.00 97 E H H 97.10 2.51 18.25 20.32 91.89 50.38 -64.51 -41.28 0.34 0.00 99.66 0.05 0.02 0.18 99.72 0.03 0.00 0.00 0.00 98 L H H 57.92 6.04 15.17 22.91 92.28 49.98 -64.62 -41.75 0.49 0.00 99.51 0.07 0.03 0.27 99.56 0.06 0.00 0.00 0.00 99 L H H 55.45 7.16 12.56 21.62 92.38 49.96 -64.86 -41.02 1.03 0.01 98.96 0.20 0.08 0.60 98.94 0.18 0.00 0.00 0.00 100 K H H 136.75 1.76 13.81 15.90 92.13 50.19 -65.05 -39.68 2.37 0.01 97.61 0.31 0.14 1.67 97.35 0.51 0.00 0.00 0.00 101 E H H 139.91 1.47 12.86 14.55 92.14 51.77 -67.67 -32.36 10.18 0.02 89.80 0.47 0.44 9.08 89.35 0.63 0.01 0.01 0.01 102 K C T 124.08 3.63 11.12 16.12 95.75 47.29 -87.65 -1.50 77.37 0.04 22.59 0.63 1.69 73.39 23.45 0.79 0.00 0.01 0.04 103 G C T 58.90 1.47 12.58 14.59 98.00 -110.36 76.46 11.85 98.89 0.06 1.06 3.00 2.38 93.57 0.87 0.13 0.00 0.03 0.02 104 L C C 87.39 6.68 9.74 17.97 102.97 118.82 -89.44 2.76 98.33 0.91 0.76 96.43 0.87 1.30 0.38 0.16 0.00 0.39 0.46 105 A C C 52.93 10.06 12.56 23.06 116.31 79.97 -97.01 138.08 99.91 0.08 0.01 99.84 0.08 0.03 0.00 0.00 0.00 0.04 0.01