# 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 N C C 85.72 4.61 14.25 19.90 103.25 -123.93 -84.77 89.34 99.77 0.05 0.18 99.69 0.06 0.06 0.16 0.00 0.00 0.01 0.01 1 L H H 99.59 4.54 10.40 16.61 93.75 144.47 -65.88 -35.91 10.23 0.09 89.67 6.94 0.50 2.60 89.19 0.70 0.00 0.03 0.04 2 M H H 126.83 1.38 12.18 13.69 92.32 53.64 -65.36 -40.09 3.57 0.02 96.40 1.04 0.42 1.87 95.93 0.73 0.00 0.01 0.01 3 L H H 102.48 1.48 13.33 14.60 92.39 49.84 -65.33 -40.62 1.28 0.01 98.70 0.37 0.13 0.65 98.14 0.70 0.00 0.01 0.00 4 A H H 50.12 4.01 11.97 17.70 91.86 50.60 -64.08 -41.08 0.58 0.01 99.41 0.16 0.05 0.29 99.11 0.39 0.00 0.00 0.00 5 L H H 87.70 3.57 13.60 18.28 91.96 50.54 -64.69 -41.06 0.50 0.00 99.50 0.10 0.04 0.27 99.38 0.21 0.00 0.00 0.00 6 L H H 100.64 1.44 15.94 16.38 91.94 49.71 -64.93 -41.53 0.54 0.00 99.46 0.10 0.04 0.31 99.40 0.14 0.00 0.00 0.00 7 T H H 74.37 2.05 15.91 17.66 92.13 48.88 -64.95 -41.51 0.65 0.00 99.35 0.13 0.05 0.37 99.35 0.10 0.00 0.00 0.00 8 N H H 67.71 5.87 14.03 21.40 92.15 50.16 -65.03 -40.70 0.92 0.00 99.08 0.18 0.06 0.54 99.10 0.11 0.00 0.00 0.00 9 F H H 111.54 3.67 15.74 20.17 91.88 50.32 -65.12 -40.85 0.84 0.00 99.15 0.14 0.06 0.52 99.15 0.12 0.00 0.00 0.00 10 T H H 80.16 1.60 17.45 17.83 92.09 50.29 -64.83 -41.51 0.75 0.00 99.25 0.14 0.05 0.45 99.23 0.13 0.00 0.00 0.00 11 L H H 86.25 2.95 16.71 19.85 91.85 49.53 -65.00 -41.53 0.62 0.00 99.38 0.11 0.04 0.37 99.31 0.16 0.00 0.00 0.00 12 A H H 39.70 6.88 13.89 22.52 91.84 51.02 -63.64 -41.10 0.78 0.00 99.21 0.14 0.05 0.47 99.13 0.20 0.00 0.00 0.00 13 T H H 73.54 2.68 16.59 19.48 91.83 50.64 -64.27 -40.80 1.00 0.00 98.99 0.13 0.06 0.67 98.88 0.26 0.00 0.00 0.00 14 L H H 96.29 1.88 17.14 18.17 92.02 50.49 -64.82 -41.17 0.76 0.00 99.23 0.09 0.04 0.51 99.08 0.27 0.00 0.00 0.00 15 L H H 78.36 5.21 15.08 21.42 92.07 49.92 -64.59 -40.90 0.61 0.00 99.38 0.06 0.03 0.42 99.13 0.35 0.00 0.00 0.00 16 V H H 70.60 5.29 14.83 21.40 91.90 50.40 -64.59 -41.17 0.68 0.00 99.32 0.06 0.04 0.50 98.83 0.57 0.00 0.00 0.00 17 I H H 97.80 1.90 16.59 17.91 91.96 49.70 -64.68 -41.35 0.79 0.00 99.21 0.06 0.04 0.60 98.34 0.96 0.00 0.00 0.00 18 I H H 87.34 3.14 15.31 18.94 91.97 49.48 -65.22 -40.71 0.91 0.00 99.08 0.06 0.04 0.71 96.46 2.72 0.00 0.00 0.00 19 A H H 42.44 7.42 12.12 21.31 91.65 53.42 -65.29 -36.84 2.79 0.00 97.21 0.10 0.08 2.55 90.94 6.32 0.00 0.00 0.00 20 F H H 131.87 2.77 14.11 17.65 92.85 52.54 -70.38 -29.37 14.01 0.01 85.98 0.22 0.32 14.19 78.40 6.84 0.01 0.00 0.00 21 W H H 169.24 2.06 13.78 16.01 96.18 50.42 -82.87 -18.90 24.15 0.04 75.81 0.93 1.68 21.35 69.81 6.14 0.04 0.01 0.03 22 L H H 80.88 6.98 9.69 18.28 105.65 83.37 -77.47 120.69 39.87 0.59 59.54 16.20 11.87 11.98 30.93 28.39 0.03 0.25 0.35 23 P H G 86.08 3.85 12.45 17.69 100.36 61.74 -68.68 -15.89 39.33 0.56 60.10 19.86 4.87 13.92 26.56 34.24 0.01 0.30 0.25 24 Q H G 120.47 3.59 12.74 17.68 101.89 56.86 -81.11 0.63 39.24 1.17 59.59 19.23 5.96 13.74 25.32 34.62 0.02 0.63 0.48 25 L C C 89.74 7.40 11.06 19.85 105.52 76.19 -84.56 48.65 60.38 2.47 37.16 34.54 13.43 12.66 22.81 14.09 0.04 1.16 1.27 26 N C C 96.28 5.17 13.24 19.82 106.24 84.04 -91.67 80.04 77.99 2.77 19.24 54.02 11.30 12.00 13.46 6.38 0.00 1.50 1.34 27 V C C 78.25 7.30 12.08 20.84 109.22 143.98 -93.29 100.56 74.35 3.36 22.28 42.20 16.93 15.50 15.11 6.97 0.02 1.65 1.61 28 Y C C 121.39 6.76 12.54 20.67 109.51 80.20 -92.94 92.42 74.73 3.54 21.73 43.08 15.98 15.89 14.03 7.44 0.02 1.68 1.87 29 S C C 59.65 6.66 12.75 20.79 104.86 97.83 -83.70 15.85 71.35 2.59 26.07 41.23 14.96 15.40 14.60 11.16 0.01 1.24 1.40 30 E C C 110.18 6.62 12.20 20.14 99.67 71.73 -78.24 -16.33 67.45 2.36 30.19 28.80 16.63 22.91 14.26 14.88 0.04 1.09 1.37 31 K C C 132.46 4.33 13.49 19.18 99.55 63.38 -79.27 -17.59 71.05 2.64 26.32 28.99 18.13 24.90 11.94 13.27 0.05 1.24 1.49 32 T C C 81.22 5.37 13.76 20.35 102.64 57.07 -93.93 -0.77 78.42 3.67 17.92 35.67 25.35 18.32 8.30 8.49 0.04 1.56 2.26 33 S C C 39.51 9.28 12.39 23.24 115.87 72.74 -105.18 133.04 94.17 3.64 2.19 59.98 31.52 2.58 1.10 0.98 0.00 1.35 2.49 34 P C T 70.26 7.92 14.26 23.52 96.14 -142.34 -66.58 -20.07 85.16 1.71 13.13 26.12 22.68 37.31 3.94 8.15 0.01 0.78 1.01 35 Y C T 109.10 9.12 13.25 23.26 102.30 58.54 -87.05 0.11 75.29 6.59 18.13 24.40 18.52 33.68 5.25 11.31 0.13 3.06 3.65 36 E C T 105.46 6.81 14.87 22.69 101.55 79.37 -78.60 -8.72 66.29 8.63 25.08 18.78 17.25 31.51 5.20 18.31 0.16 4.00 4.78 37 C C T 66.31 8.49 13.83 23.21 99.03 44.55 -88.16 6.45 77.73 2.80 19.47 9.66 14.18 53.24 3.71 16.02 0.03 1.54 1.62 38 G C T 44.52 5.74 15.74 22.59 98.54 -97.46 84.03 5.81 88.67 3.81 7.53 26.94 23.49 38.38 1.16 6.43 0.00 1.93 1.67 39 F C C 82.15 9.99 11.58 22.96 116.67 133.57 -92.68 136.61 84.84 13.88 1.29 62.75 18.63 2.47 0.53 0.82 0.00 4.94 9.88 40 D C C 84.32 5.39 14.55 21.39 110.44 -130.65 -91.41 116.71 93.66 5.75 0.59 82.20 9.85 1.44 0.21 0.39 0.00 3.27 2.64 41 P C C 78.32 8.52 10.83 20.75 98.40 -156.04 -69.39 -12.24 91.93 2.48 5.59 37.69 18.16 36.34 1.02 4.51 0.00 1.41 0.87 42 M C T 132.31 2.82 11.67 15.63 102.55 71.49 -88.31 6.09 90.20 2.72 7.08 25.10 22.95 42.38 1.57 5.24 0.00 1.31 1.44 43 G C C 50.00 3.51 11.41 16.35 111.14 -28.32 94.29 -36.42 86.07 2.68 11.25 35.06 29.04 22.12 2.19 8.85 0.00 1.22 1.53 44 S C C 79.49 3.54 11.15 16.21 107.60 -18.20 -90.38 48.46 74.57 2.81 22.63 39.17 16.84 18.51 3.82 18.91 0.00 1.39 1.36 45 A C C 64.75 6.07 10.08 17.80 114.59 84.29 -88.66 135.04 72.94 3.83 23.23 33.50 19.39 20.77 3.78 18.95 0.02 1.93 1.65 46 R C C 155.56 3.87 12.14 17.88 115.08 -150.14 -95.80 129.82 74.29 5.63 20.09 42.86 17.35 14.21 4.47 15.59 0.02 2.80 2.70 47 L C C 79.31 8.61 10.17 20.15 117.51 -149.71 -100.08 133.06 88.74 3.14 8.12 59.20 26.09 3.50 5.68 2.39 0.00 1.26 1.87 48 P C C 88.71 3.99 13.76 19.04 103.44 -119.36 -67.52 60.08 77.02 2.06 20.92 41.20 15.79 20.45 14.00 6.51 0.01 1.03 1.00 49 F C C 115.81 6.80 11.83 19.85 108.91 35.12 -92.42 98.17 69.51 2.95 27.54 34.46 15.20 20.80 19.15 7.37 0.05 1.27 1.70 50 S C C 49.98 7.13 12.21 20.87 108.34 83.30 -79.95 136.30 59.71 2.04 38.25 44.10 7.09 8.39 33.10 5.27 0.01 0.90 1.15 51 M H H 117.68 2.92 14.12 17.84 94.06 -113.42 -64.62 -34.23 14.40 0.20 85.40 5.53 3.24 6.62 82.07 2.33 0.03 0.08 0.11 52 K H H 110.42 4.66 15.63 21.32 92.59 56.39 -65.19 -39.30 6.35 0.05 93.59 1.65 0.88 3.86 92.01 1.53 0.01 0.02 0.02 53 F H H 63.38 11.80 13.59 26.17 92.37 51.30 -65.27 -40.75 1.40 0.01 98.59 0.36 0.16 0.80 98.01 0.67 0.00 0.00 0.00 54 F H H 103.21 5.21 16.90 23.07 92.12 51.12 -64.22 -41.42 0.31 0.00 99.69 0.08 0.03 0.16 99.58 0.16 0.00 0.00 0.00 55 L H H 85.88 3.41 18.96 22.37 92.01 49.94 -64.80 -41.32 0.23 0.00 99.77 0.05 0.01 0.13 99.71 0.09 0.00 0.00 0.00 56 V H H 43.00 10.63 17.05 28.70 92.10 49.76 -64.83 -42.03 0.16 0.00 99.84 0.03 0.01 0.09 99.82 0.05 0.00 0.00 0.00 57 A H H 30.93 10.93 16.60 28.68 91.56 51.57 -63.49 -41.48 0.15 0.00 99.85 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 58 I H H 89.93 3.14 20.95 23.62 91.72 49.40 -64.41 -41.59 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 59 T H H 50.58 6.87 18.94 26.63 91.78 49.91 -64.58 -41.76 0.29 0.00 99.71 0.02 0.01 0.20 99.68 0.08 0.00 0.00 0.00 60 F H H 52.97 14.15 16.77 31.19 91.82 50.56 -64.04 -41.63 0.31 0.00 99.69 0.02 0.01 0.23 99.62 0.11 0.00 0.00 0.00 61 L H H 75.61 6.93 19.13 26.50 91.67 50.96 -64.01 -41.14 0.27 0.00 99.73 0.02 0.01 0.20 99.60 0.17 0.00 0.00 0.00 62 L H H 88.16 3.02 20.79 23.25 91.82 49.66 -64.73 -41.53 0.48 0.00 99.52 0.03 0.02 0.39 99.30 0.27 0.00 0.00 0.00 63 F H H 56.72 11.25 17.57 29.63 92.07 49.54 -65.16 -41.36 0.82 0.00 99.18 0.07 0.04 0.62 99.00 0.27 0.00 0.00 0.00 64 D H H 46.05 12.65 16.81 29.90 91.78 51.34 -63.53 -41.51 0.72 0.00 99.28 0.09 0.04 0.46 99.13 0.27 0.00 0.00 0.00 65 L H H 88.45 3.42 20.26 23.29 91.94 50.38 -64.54 -40.82 0.62 0.00 99.38 0.05 0.03 0.45 99.02 0.45 0.00 0.00 0.00 66 E H H 81.65 5.91 18.86 25.41 92.22 50.13 -65.39 -40.47 0.98 0.00 99.02 0.08 0.04 0.75 98.41 0.72 0.00 0.00 0.00 67 I H H 40.38 13.81 15.40 29.79 92.22 50.29 -65.46 -40.48 1.14 0.00 98.85 0.07 0.05 0.90 97.40 1.57 0.00 0.00 0.00 68 A H H 48.53 8.50 16.08 25.51 91.47 54.04 -65.11 -36.01 2.57 0.00 97.43 0.12 0.10 2.22 92.81 4.73 0.00 0.00 0.00 69 L H H 109.44 2.67 18.01 20.75 92.53 52.22 -72.98 -26.21 12.62 0.01 87.37 0.24 0.37 12.50 81.48 5.38 0.02 0.00 0.01 70 L H H 78.39 8.30 15.02 24.19 96.03 51.21 -82.21 -17.40 26.41 0.09 73.50 1.18 1.94 23.41 68.70 4.58 0.08 0.04 0.07 71 L C S 65.53 12.29 12.94 25.48 111.31 85.05 -81.57 118.67 70.19 1.15 28.65 15.89 29.62 25.31 22.50 5.36 0.06 0.41 0.85 72 P C C 70.60 6.52 15.24 22.81 104.44 13.17 -71.40 85.10 68.01 0.76 31.23 33.82 10.56 24.58 22.13 8.05 0.01 0.33 0.53 73 L H H 87.56 6.86 14.35 22.25 100.02 71.97 -70.70 -33.83 38.28 0.55 61.17 14.40 8.89 14.97 41.19 19.93 0.04 0.24 0.34 74 P H H 74.52 4.94 14.95 21.00 95.59 50.02 -66.93 -31.19 33.68 0.41 65.91 11.26 4.74 16.34 44.99 22.20 0.03 0.22 0.22 75 W H H 128.42 6.69 13.88 21.70 95.83 53.63 -70.84 -29.90 25.27 0.62 74.11 7.36 4.07 12.55 48.29 27.05 0.08 0.34 0.26 76 A H H 50.87 8.73 12.08 21.99 95.22 62.75 -69.48 -29.82 31.34 1.33 67.32 11.47 6.36 13.73 47.05 19.95 0.15 0.72 0.57 77 S H H 69.31 4.47 14.13 19.73 97.75 58.86 -75.35 -18.79 46.31 2.28 51.41 17.60 9.38 20.11 34.28 16.19 0.17 1.19 1.08 78 Q C C 119.43 3.91 13.60 18.76 98.66 60.01 -82.88 -13.19 60.41 2.70 36.88 28.26 13.89 19.28 25.25 10.64 0.08 1.33 1.27 79 T C C 70.04 7.75 11.03 20.02 110.33 80.47 -95.48 99.52 72.05 3.00 24.94 43.79 12.88 15.19 18.87 6.32 0.02 1.48 1.45 80 A C C 76.41 4.29 12.29 18.08 103.47 110.30 -88.68 4.47 80.15 1.69 18.16 44.00 20.55 15.56 13.59 4.65 0.01 0.75 0.89 81 N C C 86.81 4.26 12.37 18.03 114.79 109.05 -90.65 139.18 77.56 1.34 21.09 48.19 17.96 10.77 18.12 3.64 0.00 0.51 0.81 82 L H H 116.45 2.83 12.08 16.33 94.30 -127.04 -62.67 -34.83 24.04 0.24 75.72 8.53 5.29 11.20 70.81 3.91 0.03 0.10 0.13 83 N H H 102.57 2.43 14.55 17.34 93.12 55.59 -66.60 -36.84 19.00 0.20 80.79 5.86 3.00 10.53 76.54 3.84 0.03 0.10 0.10 84 T H H 45.24 8.49 12.55 22.51 93.18 51.47 -67.77 -38.23 12.59 0.19 87.22 5.22 1.76 5.92 83.55 3.35 0.01 0.10 0.07 85 M H H 85.79 6.24 14.89 22.44 92.12 53.19 -64.18 -40.96 3.38 0.03 96.59 1.24 0.48 1.55 95.91 0.80 0.00 0.01 0.01 86 L H H 94.32 2.44 18.14 20.19 92.37 50.25 -64.87 -41.19 1.16 0.01 98.84 0.42 0.12 0.54 98.60 0.32 0.00 0.00 0.00 87 T H H 57.27 5.88 17.18 23.90 92.17 49.95 -64.75 -41.73 0.66 0.00 99.33 0.21 0.05 0.34 99.17 0.24 0.00 0.00 0.00 88 M H H 60.90 9.90 16.01 26.97 91.82 50.29 -64.21 -41.17 0.31 0.00 99.69 0.07 0.02 0.17 99.61 0.13 0.00 0.00 0.00 89 A H H 50.69 4.76 18.17 23.68 91.84 51.22 -64.12 -41.26 0.19 0.00 99.81 0.03 0.01 0.11 99.79 0.06 0.00 0.00 0.00 90 L H H 86.37 3.56 19.37 22.76 91.98 50.52 -64.95 -41.23 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 91 F H H 80.69 8.33 17.52 26.53 91.93 50.32 -64.48 -41.63 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.02 0.00 0.00 0.00 92 L H H 66.50 8.50 17.73 27.07 91.73 50.33 -64.14 -41.74 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 93 I H H 90.40 3.72 20.01 23.77 92.03 49.70 -64.75 -42.00 0.08 0.00 99.92 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 94 I H H 75.08 6.13 19.25 25.68 91.97 49.44 -65.10 -41.96 0.13 0.00 99.87 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 95 L H H 58.89 10.03 17.92 28.66 91.78 49.74 -64.26 -41.85 0.17 0.00 99.83 0.01 0.01 0.13 99.81 0.05 0.00 0.00 0.00 96 L H H 76.00 6.82 19.41 26.74 91.98 49.94 -64.71 -41.25 0.42 0.00 99.58 0.02 0.02 0.34 99.55 0.07 0.00 0.00 0.00 97 A H H 53.29 4.19 20.26 24.66 91.94 50.32 -64.54 -41.80 0.60 0.00 99.40 0.04 0.03 0.46 99.38 0.09 0.00 0.00 0.00 98 V H H 59.35 7.50 19.56 27.48 92.04 49.84 -64.76 -42.03 0.51 0.00 99.49 0.05 0.03 0.35 99.48 0.09 0.00 0.00 0.00 99 S H H 32.89 9.66 17.65 28.59 91.75 51.02 -63.72 -41.68 0.53 0.00 99.47 0.07 0.03 0.35 99.45 0.11 0.00 0.00 0.00 100 L H H 79.76 5.07 19.99 25.41 91.97 50.10 -64.68 -41.23 0.36 0.00 99.64 0.03 0.02 0.25 99.61 0.09 0.00 0.00 0.00 101 A H H 48.97 4.56 18.99 24.07 91.60 50.70 -63.72 -42.32 0.32 0.00 99.68 0.03 0.01 0.21 99.65 0.09 0.00 0.00 0.00 102 Y H H 88.00 6.97 17.53 25.44 92.04 49.69 -64.77 -41.76 0.44 0.00 99.56 0.04 0.02 0.30 99.50 0.13 0.00 0.00 0.00 103 E H H 66.08 6.90 15.54 23.98 91.73 50.60 -63.87 -41.51 0.78 0.00 99.22 0.08 0.05 0.56 99.07 0.24 0.00 0.00 0.00 104 W H H 121.45 3.70 15.15 19.88 92.14 49.96 -64.23 -41.47 1.91 0.01 98.08 0.24 0.15 1.36 97.68 0.55 0.01 0.00 0.00 105 T H H 75.04 3.80 13.91 18.60 92.75 49.41 -66.52 -39.45 5.17 0.02 94.81 0.60 0.42 3.92 94.17 0.86 0.01 0.01 0.01 106 Q H H 109.46 3.80 12.70 17.76 93.66 50.04 -70.12 -31.46 15.80 0.06 84.15 1.09 1.25 13.31 83.13 1.13 0.03 0.02 0.04 107 K C T 130.41 2.97 11.64 15.67 97.06 46.83 -89.05 -4.19 65.10 0.18 34.73 2.52 4.55 56.26 34.79 1.68 0.02 0.06 0.13 108 G C T 53.69 2.47 11.17 14.93 100.17 -106.29 75.11 11.34 91.29 0.71 8.00 14.29 6.80 70.53 6.37 1.39 0.00 0.31 0.31 109 L C C 101.34 5.03 8.00 14.79 103.94 113.07 -85.36 39.50 94.04 2.12 3.85 87.37 1.27 6.08 2.36 0.79 0.00 1.09 1.04 110 E C C 132.11 3.24 12.42 17.26 109.85 91.89 -90.78 113.22 99.88 0.11 0.02 99.84 0.06 0.03 0.01 0.00 0.00 0.06 0.01