# 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 101.25 6.00 12.42 19.78 109.85 -147.72 -84.57 123.94 99.87 0.05 0.08 99.82 0.06 0.04 0.05 0.00 0.00 0.02 0.01 1 N C C 93.98 3.28 11.16 15.71 106.64 -155.06 -82.23 103.11 51.63 3.04 45.33 45.92 0.77 4.14 45.36 0.91 0.00 0.80 2.10 2 L H H 107.32 3.69 9.65 14.85 93.92 92.13 -65.68 -36.48 11.29 0.10 88.61 5.34 1.66 3.73 88.28 0.90 0.00 0.04 0.05 3 M H H 123.22 1.39 12.33 13.73 92.47 52.65 -65.44 -39.98 3.98 0.05 95.97 1.62 0.52 1.74 95.13 0.94 0.00 0.03 0.01 4 I H H 96.89 1.88 13.29 15.37 92.27 49.71 -65.65 -40.91 1.61 0.03 98.36 0.63 0.19 0.73 97.64 0.78 0.00 0.02 0.00 5 T H H 57.10 5.25 12.10 19.08 92.18 50.56 -64.86 -41.37 0.93 0.01 99.06 0.33 0.10 0.43 98.78 0.35 0.00 0.01 0.00 6 L H H 85.30 3.98 14.16 19.17 92.05 50.46 -64.54 -41.26 0.58 0.01 99.41 0.15 0.05 0.30 99.33 0.16 0.00 0.00 0.00 7 L H H 99.63 1.51 16.57 17.02 92.15 49.42 -64.82 -41.48 0.54 0.00 99.45 0.13 0.05 0.30 99.40 0.13 0.00 0.00 0.00 8 T H H 70.08 2.74 15.98 18.94 92.06 49.14 -65.20 -41.42 0.64 0.00 99.35 0.14 0.05 0.36 99.35 0.09 0.00 0.00 0.00 9 N H H 64.03 6.88 14.24 22.55 92.10 50.67 -64.89 -40.41 0.91 0.00 99.08 0.20 0.07 0.53 99.09 0.11 0.00 0.00 0.00 10 F H H 112.40 3.71 16.27 20.50 91.92 50.33 -65.09 -40.78 0.85 0.00 99.15 0.13 0.06 0.55 99.14 0.11 0.00 0.00 0.00 11 T H H 79.19 1.72 17.60 18.23 92.05 49.92 -64.69 -41.59 0.79 0.00 99.20 0.13 0.06 0.49 99.18 0.13 0.00 0.00 0.00 12 L H H 84.67 3.32 16.62 20.32 91.94 49.59 -65.01 -41.66 0.71 0.00 99.29 0.12 0.05 0.44 99.21 0.18 0.00 0.00 0.00 13 A H H 40.59 6.62 14.00 22.36 91.72 51.19 -63.73 -41.09 0.90 0.00 99.09 0.15 0.06 0.58 98.98 0.22 0.00 0.00 0.00 14 T H H 74.19 2.70 16.41 19.31 91.73 50.61 -64.44 -40.67 0.98 0.00 99.02 0.13 0.06 0.68 98.87 0.25 0.00 0.00 0.00 15 L H H 95.67 1.97 16.72 18.00 91.94 50.43 -64.67 -41.30 0.59 0.00 99.41 0.07 0.03 0.40 99.25 0.25 0.00 0.00 0.00 16 L H H 80.12 4.99 14.84 21.03 92.01 49.89 -64.80 -40.82 0.53 0.00 99.46 0.05 0.03 0.38 99.21 0.33 0.00 0.00 0.00 17 V H H 72.77 5.01 14.54 20.68 91.83 49.91 -64.96 -40.87 0.66 0.00 99.34 0.05 0.03 0.50 98.98 0.42 0.00 0.00 0.00 18 T H H 78.86 1.79 15.99 17.23 91.98 49.73 -64.95 -40.57 0.97 0.00 99.02 0.07 0.05 0.77 98.27 0.84 0.00 0.00 0.00 19 I H H 90.11 2.74 14.66 17.86 92.08 49.73 -65.57 -40.12 1.21 0.00 98.79 0.07 0.06 0.97 96.39 2.51 0.00 0.00 0.00 20 A H H 44.74 7.20 11.10 20.10 91.77 53.25 -65.58 -34.51 3.49 0.00 96.51 0.13 0.12 3.13 90.67 5.95 0.00 0.00 0.00 21 F H H 140.77 2.34 12.99 16.08 92.93 52.28 -71.98 -27.77 16.59 0.01 83.40 0.34 0.49 16.24 76.49 6.40 0.01 0.00 0.01 22 W H H 188.41 1.31 12.90 13.86 97.07 49.24 -88.03 -14.87 28.98 0.07 70.95 1.36 2.63 24.88 66.60 4.39 0.06 0.03 0.06 23 L C S 85.46 6.17 8.27 16.31 113.58 89.24 -88.97 126.97 77.76 1.08 21.16 30.08 41.35 7.26 13.89 6.22 0.02 0.34 0.83 24 P C C 92.99 3.10 11.39 16.02 109.54 -121.52 -69.17 140.09 70.96 1.00 28.04 48.80 7.13 14.26 11.08 17.69 0.00 0.54 0.50 25 Q C C 125.88 3.60 11.32 16.60 109.39 -109.73 -85.44 116.35 67.43 2.51 30.07 40.23 10.23 16.92 11.42 18.67 0.01 1.33 1.19 26 L C C 94.84 7.00 10.47 18.94 110.90 -158.25 -92.48 123.04 74.52 3.27 22.22 48.76 14.37 10.92 10.49 12.12 0.01 1.70 1.63 27 N C C 98.92 4.80 12.98 19.23 107.85 -158.48 -96.61 98.32 83.34 3.36 13.30 63.09 11.55 8.21 7.90 5.76 0.00 1.87 1.61 28 V C C 78.75 7.59 11.74 20.71 109.16 157.63 -92.50 90.45 74.58 2.87 22.55 39.53 18.55 17.10 14.09 7.89 0.02 1.37 1.44 29 Y C C 118.84 7.04 12.50 20.86 109.69 82.17 -93.23 105.08 71.90 2.49 25.61 38.49 16.22 17.85 15.55 9.33 0.02 1.14 1.38 30 S C C 58.71 6.50 13.26 21.13 102.90 64.15 -82.35 -4.09 65.15 1.94 32.90 38.58 12.92 13.75 18.61 14.13 0.01 0.93 1.07 31 E C C 105.46 7.41 12.33 20.93 98.26 70.50 -77.34 -13.29 58.27 2.00 39.72 27.90 12.50 18.22 19.34 19.91 0.05 0.98 1.11 32 K C C 129.31 4.84 13.63 19.84 97.39 65.36 -76.78 -21.07 62.07 2.28 35.64 27.32 13.83 21.65 16.61 18.12 0.07 1.10 1.30 33 T C C 83.43 5.18 13.91 20.29 101.11 54.76 -93.64 -4.02 71.72 2.80 25.47 31.95 21.40 19.62 11.63 12.30 0.06 1.17 1.88 34 S C C 39.32 9.64 11.94 23.02 116.70 96.99 -102.26 136.58 95.23 2.46 2.32 57.46 35.41 2.30 1.28 0.90 0.00 0.81 1.85 35 P C T 74.66 7.19 14.31 22.80 95.62 -140.66 -66.68 -19.17 83.75 1.17 15.08 21.69 21.63 41.30 5.21 8.83 0.01 0.52 0.81 36 Y C T 109.39 9.13 12.85 22.84 102.53 58.50 -88.93 6.66 74.17 5.70 20.14 22.02 16.84 36.39 6.38 12.26 0.14 2.71 3.25 37 E C T 103.78 7.26 14.28 22.55 102.11 78.07 -78.02 -3.70 62.59 8.25 29.16 18.67 15.07 30.20 6.26 21.21 0.19 3.79 4.61 38 C C T 71.21 7.86 13.84 22.60 98.06 40.36 -87.85 5.83 74.40 2.39 23.21 8.19 11.90 53.41 4.45 19.31 0.03 1.31 1.41 39 G C T 45.68 5.41 15.32 21.90 98.58 -96.05 85.19 4.88 86.63 2.83 10.54 21.76 21.29 43.55 1.59 9.03 0.01 1.46 1.31 40 F C C 85.21 9.45 11.50 22.42 116.92 131.58 -92.77 137.14 85.06 13.56 1.37 60.41 21.15 2.51 0.57 0.83 0.00 4.47 10.06 41 D C C 85.48 5.18 14.41 21.04 110.25 -126.19 -88.72 117.40 94.15 5.22 0.62 82.91 9.52 1.53 0.22 0.41 0.00 2.86 2.56 42 P C T 79.53 8.38 10.71 20.49 98.14 -153.18 -69.19 -13.40 91.98 2.03 5.99 32.62 19.27 40.31 1.09 4.83 0.00 1.12 0.78 43 M C T 132.47 2.84 11.66 15.60 101.72 67.11 -88.71 13.54 90.30 2.63 7.07 21.48 23.04 45.87 1.60 5.29 0.01 1.31 1.40 44 G C C 49.92 3.65 11.29 16.38 109.35 -8.29 93.51 0.41 86.86 2.95 10.19 35.98 28.91 22.02 1.91 8.17 0.00 1.33 1.67 45 S C C 77.25 3.88 11.00 16.44 107.56 18.16 -90.36 71.20 75.55 3.07 21.38 40.03 16.79 18.59 3.51 18.09 0.00 1.53 1.46 46 A C C 66.20 5.89 10.13 17.66 112.94 87.43 -87.91 133.36 74.16 4.03 21.80 33.12 20.45 21.30 3.35 18.01 0.02 2.06 1.70 47 R C C 157.70 3.70 12.06 17.59 114.65 -149.50 -95.58 130.16 75.79 6.13 18.08 43.26 18.40 14.19 3.78 14.38 0.02 3.07 2.89 48 L C C 80.95 8.38 10.08 19.86 117.42 -153.21 -100.04 132.80 90.37 3.86 5.78 59.91 27.45 3.08 3.64 2.02 0.00 1.55 2.34 49 P C C 88.84 4.00 13.65 18.94 104.91 -118.12 -68.46 125.70 82.97 2.26 14.78 41.93 19.95 21.78 8.70 5.43 0.01 1.10 1.10 50 F C C 117.85 6.95 11.33 19.47 108.39 -57.10 -86.52 106.17 76.01 3.51 20.49 36.57 18.58 21.85 13.04 6.41 0.04 1.47 2.03 51 S C C 50.16 6.62 12.25 20.46 112.89 -145.79 -86.11 138.89 65.99 2.71 31.30 50.83 7.83 6.95 27.38 4.28 0.01 1.10 1.63 52 M H H 120.58 2.88 13.62 17.51 93.49 -115.51 -63.86 -35.05 11.22 0.12 88.67 3.41 2.45 5.93 86.08 1.98 0.03 0.05 0.06 53 K H H 113.20 4.36 15.34 20.77 92.07 56.89 -65.01 -39.36 5.07 0.04 94.89 1.07 0.62 3.31 93.56 1.38 0.01 0.02 0.02 54 F H H 62.86 11.46 13.60 25.96 92.20 51.33 -65.28 -40.92 0.98 0.00 99.02 0.23 0.10 0.57 98.50 0.60 0.00 0.00 0.00 55 F H H 98.13 6.14 16.66 23.71 92.03 51.09 -63.96 -41.18 0.21 0.00 99.79 0.05 0.02 0.11 99.71 0.12 0.00 0.00 0.00 56 L H H 84.52 3.68 18.91 22.68 91.92 50.05 -64.80 -41.20 0.16 0.00 99.83 0.03 0.01 0.09 99.80 0.07 0.00 0.00 0.00 57 V H H 46.78 9.75 17.37 28.18 92.16 49.83 -64.90 -41.99 0.12 0.00 99.88 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 58 A H H 30.07 11.00 16.70 28.83 91.69 51.57 -63.87 -41.34 0.11 0.00 99.89 0.01 0.01 0.06 99.89 0.03 0.00 0.00 0.00 59 I H H 87.00 3.75 20.70 24.29 91.86 49.57 -64.56 -41.67 0.17 0.00 99.83 0.02 0.00 0.11 99.82 0.04 0.00 0.00 0.00 60 T H H 50.79 6.75 18.88 26.41 91.79 50.20 -64.63 -41.68 0.29 0.00 99.71 0.02 0.01 0.21 99.69 0.07 0.00 0.00 0.00 61 F H H 59.87 12.68 17.07 30.23 92.01 50.67 -64.48 -41.40 0.29 0.00 99.71 0.02 0.01 0.21 99.65 0.10 0.00 0.00 0.00 62 L H H 72.95 7.35 18.75 26.44 91.77 50.79 -64.14 -41.26 0.28 0.00 99.72 0.02 0.01 0.21 99.60 0.16 0.00 0.00 0.00 63 L H H 85.59 3.47 20.19 23.50 91.87 49.69 -64.89 -41.60 0.54 0.00 99.46 0.04 0.02 0.43 99.24 0.27 0.00 0.00 0.00 64 F H H 63.15 10.14 17.50 28.55 92.13 49.83 -65.26 -41.26 1.05 0.00 98.95 0.10 0.06 0.78 98.77 0.30 0.00 0.00 0.00 65 D H H 50.50 11.32 16.87 28.77 91.82 51.39 -64.27 -41.06 1.15 0.00 98.85 0.18 0.07 0.73 98.70 0.32 0.00 0.00 0.00 66 L H H 85.95 3.97 19.52 23.33 91.90 50.58 -64.72 -40.93 0.85 0.00 99.15 0.08 0.05 0.60 98.70 0.56 0.00 0.00 0.00 67 E H H 82.32 6.28 18.38 25.37 92.19 50.37 -65.39 -40.58 1.32 0.00 98.68 0.12 0.07 0.99 97.85 0.97 0.00 0.00 0.00 68 I H H 48.86 12.28 15.73 28.71 92.33 49.57 -66.01 -39.75 1.85 0.01 98.14 0.13 0.10 1.50 96.23 2.04 0.00 0.00 0.00 69 A H H 49.61 8.10 16.13 25.03 91.71 54.80 -65.50 -35.84 4.83 0.02 95.16 0.26 0.24 4.17 89.22 6.09 0.01 0.01 0.01 70 L H H 103.62 3.50 17.44 21.43 93.08 53.63 -72.17 -24.61 19.67 0.04 80.28 0.56 0.79 18.46 73.12 6.96 0.04 0.02 0.03 71 L H H 78.22 8.65 14.93 24.34 95.37 57.25 -78.27 -17.87 33.16 0.24 66.60 2.30 3.52 27.24 59.75 6.73 0.17 0.11 0.18 72 L C T 74.13 10.37 14.03 24.95 106.75 82.97 -81.48 111.45 67.10 1.57 31.32 15.84 24.60 27.61 22.24 7.93 0.11 0.63 1.03 73 P C C 70.79 6.71 15.67 23.30 101.45 50.69 -72.38 14.71 67.59 1.23 31.17 32.64 9.80 25.93 20.60 9.67 0.02 0.61 0.72 74 L H H 75.98 8.71 13.99 23.67 100.89 99.67 -72.03 -36.02 43.21 0.99 55.80 20.25 10.62 13.05 36.23 18.80 0.05 0.44 0.56 75 P H H 69.52 6.02 14.86 22.07 94.68 51.46 -65.76 -32.60 39.80 0.86 59.35 16.82 5.98 16.30 37.20 22.79 0.03 0.48 0.40 76 W H H 136.69 5.82 14.34 21.23 94.83 54.48 -71.15 -31.04 30.79 1.11 68.10 9.43 5.43 14.92 40.70 28.32 0.12 0.61 0.47 77 A H H 52.72 8.26 12.18 21.62 96.08 61.87 -71.05 -25.66 38.16 2.09 59.75 14.08 8.14 16.29 37.98 21.27 0.19 1.10 0.94 78 S C H 65.72 5.41 12.91 19.63 99.39 63.02 -79.22 -13.83 55.82 3.01 41.17 22.63 12.07 22.09 24.93 15.09 0.15 1.50 1.53 79 Q C C 123.63 3.61 12.54 17.30 100.91 70.01 -82.80 -7.45 70.21 2.88 26.91 32.61 17.69 20.56 17.08 9.20 0.05 1.35 1.46 80 T C C 81.91 5.05 10.96 17.59 109.97 72.81 -96.23 80.47 77.88 2.59 19.53 42.68 18.79 16.71 12.63 6.62 0.01 1.20 1.35 81 T C C 96.02 3.94 11.59 17.12 105.78 118.56 -91.12 30.11 82.41 1.57 16.03 36.40 28.14 18.37 9.94 5.57 0.01 0.68 0.90 82 N C C 86.38 4.10 13.14 18.47 111.29 97.20 -95.30 116.12 83.05 1.36 15.59 59.81 12.03 10.91 11.42 4.38 0.00 0.60 0.85 83 L H H 95.32 7.02 11.03 19.66 94.17 -154.35 -63.81 -33.00 21.84 0.28 77.88 11.00 4.33 7.78 72.73 3.88 0.02 0.12 0.14 84 N H H 109.91 1.79 15.20 17.01 92.48 56.75 -65.56 -37.25 15.74 0.17 84.08 4.79 2.45 8.90 79.51 4.14 0.03 0.09 0.08 85 T H H 61.10 4.45 14.83 20.47 93.40 49.61 -67.94 -37.41 10.92 0.14 88.94 4.00 1.44 5.64 84.94 3.83 0.02 0.08 0.05 86 M H H 54.61 11.12 12.99 25.24 92.25 54.17 -64.40 -40.85 3.28 0.03 96.70 1.37 0.47 1.38 95.83 0.92 0.00 0.01 0.01 87 L H H 82.68 5.55 16.97 23.32 92.16 50.81 -64.58 -41.06 1.20 0.01 98.80 0.46 0.12 0.53 98.55 0.35 0.00 0.00 0.00 88 T H H 75.80 2.37 19.39 20.96 92.00 49.64 -64.63 -41.52 0.63 0.00 99.37 0.18 0.05 0.33 99.18 0.26 0.00 0.00 0.00 89 M H H 68.02 7.72 17.39 26.26 92.01 49.81 -64.83 -41.36 0.42 0.00 99.58 0.09 0.03 0.23 99.45 0.20 0.00 0.00 0.00 90 A H H 28.08 12.02 15.62 28.72 91.65 51.05 -63.69 -41.15 0.36 0.00 99.64 0.06 0.02 0.22 99.59 0.11 0.00 0.00 0.00 91 L H H 85.18 4.36 19.38 23.91 91.77 51.00 -64.31 -41.29 0.20 0.00 99.80 0.02 0.01 0.13 99.78 0.06 0.00 0.00 0.00 92 L H H 83.83 3.56 19.91 23.21 91.81 50.04 -64.43 -42.15 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 93 L H H 51.90 10.86 17.43 29.11 91.98 49.46 -64.99 -41.60 0.10 0.00 99.90 0.01 0.00 0.07 99.88 0.04 0.00 0.00 0.00 94 I H H 63.75 10.26 17.74 28.42 91.82 49.92 -64.39 -41.57 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 95 F H H 114.22 3.31 20.43 23.39 91.86 50.13 -64.83 -41.55 0.15 0.00 99.85 0.01 0.00 0.11 99.81 0.07 0.00 0.00 0.00 96 L H H 75.44 6.14 19.59 26.16 92.02 49.51 -65.14 -41.84 0.22 0.00 99.78 0.01 0.01 0.18 99.69 0.10 0.00 0.00 0.00 97 L H H 50.56 12.41 17.62 30.41 91.96 49.55 -64.74 -40.97 0.57 0.00 99.43 0.02 0.02 0.49 99.29 0.17 0.00 0.00 0.00 98 A H H 47.74 6.75 19.57 26.80 91.86 50.86 -64.36 -41.50 1.00 0.00 99.00 0.06 0.04 0.83 98.84 0.22 0.00 0.00 0.00 99 V H H 77.29 3.44 21.55 24.33 91.87 49.45 -64.58 -42.04 1.14 0.00 98.85 0.11 0.08 0.86 98.69 0.26 0.00 0.00 0.00 100 S H H 31.28 9.27 17.98 28.62 91.75 50.95 -64.16 -41.90 1.13 0.00 98.87 0.17 0.09 0.76 98.66 0.31 0.00 0.00 0.00 101 L H H 57.54 10.42 18.38 29.33 92.10 50.23 -64.26 -41.37 0.77 0.00 99.23 0.08 0.05 0.55 99.00 0.32 0.00 0.00 0.00 102 A H H 51.25 4.52 19.47 24.26 91.61 50.72 -63.69 -42.04 0.72 0.00 99.28 0.08 0.05 0.51 99.00 0.36 0.00 0.00 0.00 103 Y H H 105.19 4.40 18.82 23.46 92.15 49.71 -65.07 -41.76 0.93 0.01 99.06 0.11 0.07 0.69 98.59 0.53 0.00 0.01 0.00 104 E H H 48.49 9.77 14.71 26.20 91.91 50.68 -64.24 -41.37 1.69 0.02 98.28 0.20 0.13 1.28 97.53 0.82 0.01 0.01 0.00 105 W H H 111.06 6.66 14.55 22.37 92.60 49.55 -65.66 -40.27 3.97 0.04 95.99 0.49 0.34 3.02 94.91 1.18 0.02 0.02 0.01 106 T H H 85.75 2.96 14.95 18.40 93.22 49.25 -69.11 -36.26 9.95 0.08 89.97 1.09 0.92 7.87 88.74 1.28 0.03 0.03 0.03 107 Q H H 106.64 3.92 13.15 18.12 96.51 50.32 -81.74 -17.79 32.87 0.27 66.86 2.77 3.90 26.33 64.61 2.02 0.11 0.11 0.16 108 K C T 133.35 3.82 12.71 17.66 99.85 31.24 -78.56 7.20 62.19 0.53 37.28 5.46 8.54 46.75 35.63 3.00 0.07 0.21 0.35 109 G C T 45.12 4.60 12.45 18.46 103.16 -113.03 69.44 9.73 82.60 1.86 15.54 28.46 16.25 39.04 8.65 5.84 0.01 0.97 0.79 110 L C C 90.82 8.39 9.58 18.94 107.86 97.52 -86.01 97.61 75.01 11.54 13.46 49.11 13.17 13.51 6.10 7.00 0.03 8.53 2.56 111 E C C 130.10 2.66 12.75 16.72 115.50 157.10 -99.73 128.16 69.56 20.68 9.76 52.78 9.12 7.58 4.57 4.86 0.02 18.40 2.68 112 W C C 148.22 7.25 8.15 16.81 112.18 -148.26 -94.50 123.09 72.84 21.16 5.99 57.51 8.12 6.38 2.78 2.99 0.00 19.72 2.50 113 T C C 92.80 3.28 9.93 15.05 119.20 -163.54 -106.27 141.09 86.07 11.91 2.02 81.03 1.28 3.73 0.79 0.75 0.00 11.09 1.33 114 E C C 143.91 2.80 11.90 16.37 110.31 -119.51 -84.52 126.43 99.76 0.23 0.01 99.74 0.06 0.02 0.00 0.00 0.00 0.16 0.01