# 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 103.94 5.02 13.03 19.22 107.43 -142.69 -84.39 106.21 99.61 0.09 0.29 99.54 0.08 0.08 0.24 0.01 0.00 0.04 0.02 1 N H H 96.71 2.93 11.22 15.22 102.00 120.81 -75.47 -30.80 38.34 1.79 59.87 33.03 0.76 4.35 59.27 0.99 0.00 0.60 1.00 2 I H H 109.04 3.41 9.75 14.42 93.93 60.35 -66.24 -38.00 12.88 0.14 86.98 6.22 1.88 4.09 86.72 0.98 0.00 0.07 0.05 3 M H H 121.10 1.46 12.15 13.72 92.37 51.88 -65.77 -40.08 4.56 0.07 95.37 1.95 0.62 1.90 94.49 0.97 0.00 0.04 0.02 4 L H H 98.08 1.58 13.28 14.72 92.23 49.88 -65.44 -41.00 1.81 0.03 98.16 0.75 0.23 0.76 97.55 0.69 0.00 0.02 0.00 5 T H H 62.42 4.31 12.24 18.03 92.29 50.29 -64.97 -41.19 0.96 0.01 99.03 0.33 0.10 0.44 98.81 0.30 0.00 0.01 0.00 6 L H H 87.26 3.87 13.74 18.53 92.07 50.60 -64.59 -41.35 0.57 0.01 99.43 0.15 0.05 0.28 99.36 0.15 0.00 0.00 0.00 7 L H H 101.99 1.39 16.30 16.54 91.87 49.71 -64.94 -41.48 0.54 0.00 99.46 0.13 0.04 0.29 99.43 0.11 0.00 0.00 0.00 8 T H H 73.00 2.25 16.07 18.14 92.12 48.99 -65.09 -41.66 0.59 0.00 99.41 0.13 0.05 0.32 99.41 0.08 0.00 0.00 0.00 9 N H H 66.85 6.16 14.12 21.62 92.24 50.47 -64.89 -40.74 0.80 0.00 99.20 0.18 0.06 0.44 99.24 0.08 0.00 0.00 0.00 10 V H H 80.72 3.49 16.03 20.02 91.96 50.02 -64.95 -41.31 0.71 0.00 99.28 0.12 0.05 0.43 99.31 0.08 0.00 0.00 0.00 11 T H H 80.46 1.55 17.67 17.89 92.09 49.78 -64.70 -41.72 0.63 0.00 99.37 0.11 0.05 0.37 99.37 0.10 0.00 0.00 0.00 12 L H H 84.50 3.27 16.60 20.10 91.90 49.58 -64.96 -41.73 0.53 0.00 99.47 0.09 0.03 0.31 99.43 0.13 0.00 0.00 0.00 13 A H H 42.75 6.14 14.16 21.99 91.69 51.04 -63.63 -41.20 0.66 0.00 99.33 0.11 0.04 0.41 99.28 0.16 0.00 0.00 0.00 14 S H H 60.38 2.45 16.46 18.96 91.65 50.82 -63.94 -40.86 0.99 0.00 99.01 0.12 0.05 0.67 98.93 0.22 0.00 0.00 0.00 15 L H H 96.44 1.88 16.86 17.93 91.94 50.22 -64.94 -41.13 0.72 0.00 99.28 0.08 0.04 0.49 99.18 0.21 0.00 0.00 0.00 16 L H H 79.67 4.90 14.65 20.60 91.88 50.30 -64.50 -40.88 0.52 0.00 99.48 0.06 0.02 0.35 99.26 0.31 0.00 0.00 0.00 17 V H H 75.95 4.01 14.74 19.80 91.83 50.35 -64.64 -41.01 0.56 0.00 99.44 0.05 0.03 0.41 99.01 0.51 0.00 0.00 0.00 18 L H H 96.70 1.74 15.87 17.05 91.89 49.91 -64.69 -40.71 0.70 0.00 99.30 0.05 0.03 0.53 98.51 0.88 0.00 0.00 0.00 19 I H H 89.35 2.94 14.51 18.00 92.02 50.05 -65.61 -40.56 0.99 0.00 99.01 0.07 0.05 0.79 96.59 2.51 0.00 0.00 0.00 20 A H H 49.12 5.84 11.93 19.58 91.73 53.60 -65.41 -35.91 3.30 0.00 96.70 0.12 0.10 3.00 90.47 6.31 0.00 0.00 0.00 21 F H H 138.21 2.11 13.43 16.10 93.13 52.16 -71.42 -27.52 15.99 0.01 84.01 0.28 0.39 15.97 76.26 7.07 0.01 0.00 0.01 22 W H H 172.62 1.87 12.96 15.05 96.57 50.96 -85.16 -16.18 26.12 0.05 73.84 1.22 2.07 22.47 67.54 6.59 0.05 0.02 0.04 23 L H H 85.28 6.19 9.33 17.25 108.49 85.37 -79.29 129.57 41.51 0.61 57.88 16.85 12.78 12.09 31.80 25.84 0.03 0.26 0.36 24 P H G 88.12 3.41 12.06 16.85 102.17 50.26 -70.31 4.29 42.22 0.62 57.17 23.82 5.21 12.69 27.65 30.01 0.01 0.33 0.27 25 Q H G 120.64 3.57 11.97 16.97 102.60 55.17 -82.04 14.36 42.53 1.32 56.15 23.78 6.17 12.39 26.26 30.13 0.01 0.71 0.54 26 L C C 96.04 6.31 11.12 18.93 104.01 77.85 -84.15 11.04 60.19 2.22 37.59 36.05 12.33 12.14 25.22 12.01 0.03 1.03 1.19 27 N C C 96.60 4.94 12.75 19.10 105.46 70.78 -90.90 70.23 75.56 1.85 22.58 51.09 11.08 12.84 16.62 6.42 0.00 0.90 1.03 28 A C C 60.93 6.31 11.88 19.73 100.31 121.16 -77.89 -21.49 70.70 1.57 27.72 35.52 16.59 19.41 18.66 8.20 0.02 0.69 0.92 29 Y C C 126.82 5.74 12.66 19.79 103.60 63.49 -85.63 2.58 68.89 1.92 29.19 36.15 15.10 18.48 19.23 9.02 0.02 0.81 1.19 30 S C C 57.77 6.38 12.71 20.54 100.64 65.67 -77.21 -22.29 62.85 1.73 35.42 35.98 12.83 14.47 21.83 13.07 0.02 0.79 1.01 31 E C C 106.75 6.88 12.30 20.46 98.39 59.65 -75.44 -20.86 57.53 1.76 40.71 25.68 12.85 19.65 21.52 18.37 0.05 0.82 1.05 32 K C T 133.35 4.11 13.65 19.11 97.97 61.34 -76.89 -22.44 61.31 1.97 36.72 23.51 14.45 24.19 18.75 16.89 0.08 0.91 1.22 33 T C C 84.61 4.75 13.70 19.64 101.65 52.50 -94.40 -1.70 71.09 2.57 26.33 29.27 21.66 21.66 12.94 11.56 0.07 1.04 1.81 34 S C C 40.19 9.28 11.42 22.23 116.19 76.90 -102.64 134.91 95.43 2.58 2.00 58.03 35.14 2.19 1.05 0.80 0.00 0.84 1.95 35 P C T 76.18 6.56 13.82 21.82 96.21 -142.78 -66.56 -19.46 85.93 1.32 12.75 25.33 24.01 37.41 3.91 7.88 0.00 0.58 0.87 36 Y C T 115.52 8.14 12.26 21.44 102.57 56.27 -88.79 6.11 75.56 6.37 18.08 23.79 18.91 34.11 5.33 11.19 0.12 2.90 3.66 37 E C T 111.59 6.01 13.77 21.00 100.98 83.63 -76.47 -11.24 65.99 7.61 26.40 18.49 17.15 31.47 5.24 19.64 0.14 3.49 4.38 38 C C T 72.17 7.07 13.09 21.26 98.28 43.56 -88.66 5.28 76.91 2.33 20.77 8.66 13.42 53.99 3.70 17.54 0.02 1.25 1.42 39 G C T 47.02 4.77 14.92 20.94 98.26 -97.94 83.70 6.22 88.44 3.09 8.48 25.50 22.09 40.84 1.27 7.34 0.00 1.55 1.42 40 F C C 86.86 9.09 11.05 21.69 116.49 134.19 -91.13 136.88 86.30 12.31 1.38 63.34 19.29 2.51 0.57 0.85 0.00 4.23 9.22 41 D C C 87.34 4.88 14.07 20.43 110.30 -130.60 -91.13 116.52 94.43 4.90 0.67 82.92 9.77 1.55 0.25 0.43 0.00 2.66 2.43 42 P C C 80.27 8.00 10.60 20.10 98.07 -157.06 -69.35 -12.66 92.33 1.96 5.71 37.25 18.04 37.24 1.07 4.57 0.00 1.07 0.76 43 M C T 132.11 2.84 11.41 15.40 102.72 70.34 -87.94 8.88 90.24 2.58 7.19 26.41 22.35 41.71 1.66 5.24 0.00 1.20 1.42 44 G C C 49.73 3.54 11.18 16.18 109.36 -16.46 90.15 -64.35 85.22 2.46 12.32 35.85 28.74 20.74 2.41 9.68 0.00 1.10 1.48 45 S C C 79.01 3.53 10.96 16.00 107.26 19.25 -90.56 47.58 73.00 2.46 24.54 38.61 15.93 18.29 3.94 20.81 0.00 1.20 1.22 46 A C C 66.50 5.71 9.82 17.22 112.68 82.25 -87.84 131.57 72.03 3.03 24.95 32.75 18.27 21.49 3.79 20.81 0.01 1.50 1.37 47 R C C 160.34 3.33 11.53 16.65 113.87 -149.38 -94.84 127.70 74.28 4.26 21.46 40.81 17.58 16.00 4.36 17.02 0.02 2.04 2.17 48 L C C 84.90 7.38 9.71 18.65 117.79 -138.46 -99.97 133.79 90.11 2.49 7.39 55.99 30.81 3.40 5.13 2.08 0.00 0.87 1.71 49 P C C 94.12 3.29 13.09 17.64 103.00 -117.69 -67.56 7.73 78.24 1.59 20.17 37.86 18.22 22.79 13.58 5.94 0.01 0.73 0.87 50 F C C 118.55 6.19 11.10 18.61 108.70 33.31 -93.74 95.45 70.94 2.76 26.29 34.52 15.40 21.96 18.62 6.67 0.04 1.15 1.64 51 S C C 51.16 6.29 12.00 19.91 111.38 81.71 -81.92 137.99 59.86 1.85 38.28 45.95 6.31 7.35 34.07 4.46 0.00 0.78 1.08 52 M H H 118.41 2.93 13.46 17.38 93.88 -112.39 -64.29 -35.23 10.90 0.11 88.99 3.97 2.34 5.18 86.55 1.84 0.02 0.04 0.06 53 K H H 117.47 3.55 15.12 19.57 92.33 56.07 -65.10 -39.75 4.39 0.03 95.58 1.09 0.56 2.69 94.37 1.25 0.01 0.01 0.01 54 F H H 73.23 9.58 13.62 24.33 92.34 50.94 -65.09 -40.96 1.06 0.00 98.93 0.25 0.11 0.62 98.41 0.60 0.00 0.00 0.00 55 F H H 97.93 5.77 16.03 22.95 92.12 51.04 -64.47 -41.10 0.26 0.00 99.74 0.06 0.02 0.14 99.63 0.14 0.00 0.00 0.00 56 L H H 86.15 3.40 18.20 21.68 92.01 50.07 -64.85 -41.25 0.21 0.00 99.79 0.04 0.01 0.12 99.75 0.07 0.00 0.00 0.00 57 V H H 54.88 7.82 17.24 26.13 92.18 49.82 -64.85 -41.96 0.15 0.00 99.85 0.03 0.01 0.09 99.84 0.04 0.00 0.00 0.00 58 A H H 31.79 9.92 16.20 27.43 91.67 51.15 -63.62 -41.45 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 59 I H H 85.47 3.78 19.93 23.75 91.96 49.52 -64.61 -41.57 0.17 0.00 99.83 0.02 0.00 0.11 99.83 0.04 0.00 0.00 0.00 60 T H H 54.88 5.82 18.73 25.20 91.77 49.94 -64.67 -41.87 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.05 0.00 0.00 0.00 61 F H H 66.19 11.41 17.04 28.96 92.07 50.58 -64.31 -41.48 0.19 0.00 99.81 0.02 0.01 0.14 99.77 0.07 0.00 0.00 0.00 62 L H H 71.81 7.44 18.40 26.41 91.74 50.98 -63.97 -41.24 0.19 0.00 99.81 0.01 0.01 0.14 99.73 0.11 0.00 0.00 0.00 63 L H H 86.84 3.23 20.12 23.04 91.84 49.94 -64.61 -41.72 0.37 0.00 99.63 0.02 0.01 0.31 99.47 0.19 0.00 0.00 0.00 64 F H H 68.92 9.06 17.75 27.70 92.06 49.54 -65.02 -41.38 0.76 0.00 99.24 0.06 0.04 0.58 99.09 0.22 0.00 0.00 0.00 65 D H H 49.07 11.55 16.69 28.84 91.87 51.39 -64.25 -40.94 0.77 0.00 99.23 0.11 0.04 0.51 99.10 0.25 0.00 0.00 0.00 66 L H H 85.98 4.01 19.52 23.32 91.92 50.45 -64.61 -40.79 0.61 0.00 99.39 0.05 0.03 0.45 99.05 0.42 0.00 0.00 0.00 67 E H H 85.91 5.17 18.81 24.50 92.18 50.09 -65.29 -40.54 0.97 0.00 99.03 0.07 0.05 0.76 98.43 0.69 0.00 0.00 0.00 68 I H H 45.89 12.07 15.61 28.53 92.23 50.13 -65.78 -40.14 1.18 0.00 98.82 0.07 0.06 0.94 97.38 1.55 0.00 0.00 0.00 69 A H H 46.64 8.87 15.66 25.53 91.47 54.37 -65.11 -36.26 2.59 0.01 97.41 0.12 0.10 2.23 92.80 4.74 0.00 0.00 0.00 70 L H H 108.69 2.92 17.76 20.85 92.86 52.71 -73.20 -25.79 12.21 0.01 87.77 0.22 0.35 12.19 81.74 5.47 0.02 0.00 0.01 71 L H H 84.42 7.22 15.38 23.42 95.79 52.00 -81.41 -17.13 26.52 0.08 73.40 1.10 1.86 23.76 68.43 4.68 0.08 0.03 0.06 72 L C T 68.73 11.58 13.02 25.00 109.81 83.30 -83.50 117.39 69.41 1.25 29.34 14.54 26.95 28.57 22.31 6.15 0.08 0.46 0.94 73 P C C 70.96 6.66 15.14 22.80 104.23 51.02 -73.07 70.06 68.38 0.86 30.75 30.79 10.92 27.55 20.83 8.92 0.01 0.38 0.60 74 L H H 84.54 7.38 14.06 22.44 102.51 89.95 -73.17 -37.87 42.14 0.71 57.16 17.21 10.09 14.99 36.57 20.35 0.05 0.30 0.45 75 P H H 73.65 5.26 14.79 21.15 95.29 50.47 -66.74 -30.62 37.66 0.55 61.80 13.49 5.68 17.35 39.25 23.62 0.04 0.28 0.30 76 W H H 135.55 5.95 13.92 21.04 96.11 54.79 -71.18 -25.62 30.20 0.82 68.98 9.01 5.24 14.83 41.80 28.21 0.10 0.43 0.38 77 A H H 51.91 8.55 11.85 21.57 96.24 67.25 -71.70 -26.17 38.85 1.60 59.54 14.61 8.29 16.29 38.79 20.28 0.14 0.81 0.78 78 S C H 67.90 4.86 13.32 19.42 99.80 61.26 -79.94 -10.18 54.99 2.48 42.52 22.41 11.95 21.60 26.51 14.87 0.13 1.20 1.33 79 Q C C 121.92 3.69 12.78 17.70 99.85 67.85 -82.54 -6.54 68.64 2.60 28.76 33.81 16.46 18.99 18.77 9.36 0.04 1.21 1.35 80 T C C 77.08 5.96 11.19 18.65 110.03 76.83 -95.12 101.03 76.98 2.41 20.61 41.75 17.21 18.24 14.43 5.99 0.02 1.12 1.26 81 N C C 109.83 3.96 12.02 17.55 103.40 113.06 -92.24 26.12 81.92 1.45 16.63 43.70 21.30 17.01 11.85 4.66 0.00 0.61 0.85 82 N C C 83.60 4.96 11.86 18.31 112.09 121.40 -92.54 130.50 71.08 1.24 27.68 45.72 15.06 9.48 25.12 3.45 0.00 0.46 0.71 83 L H H 112.61 3.05 12.45 16.74 93.91 -137.76 -65.30 -34.98 19.05 0.22 80.73 7.76 3.98 8.19 76.56 3.29 0.02 0.10 0.11 84 K H H 126.13 2.44 15.14 17.97 92.54 54.74 -66.10 -38.58 12.34 0.17 87.49 4.30 1.91 6.43 83.88 3.29 0.02 0.09 0.07 85 T H H 41.03 9.15 12.88 23.53 92.51 51.11 -66.65 -39.46 8.66 0.14 91.21 3.61 1.18 4.05 88.15 2.87 0.01 0.08 0.05 86 M H H 82.15 6.85 15.27 23.48 91.97 52.53 -64.23 -41.06 2.67 0.02 97.30 0.99 0.35 1.24 96.63 0.77 0.00 0.01 0.01 87 L H H 92.99 2.57 18.61 20.67 92.24 50.21 -64.66 -41.50 0.94 0.00 99.06 0.35 0.09 0.42 98.83 0.30 0.00 0.00 0.00 88 T H H 57.99 5.64 17.81 24.31 92.10 49.46 -64.83 -41.67 0.59 0.00 99.40 0.18 0.04 0.31 99.22 0.25 0.00 0.00 0.00 89 M H H 55.03 11.13 15.92 27.95 91.77 50.24 -64.41 -41.06 0.35 0.00 99.65 0.08 0.02 0.20 99.53 0.17 0.00 0.00 0.00 90 A H H 50.31 5.13 18.32 24.27 91.81 51.24 -63.86 -41.16 0.23 0.00 99.77 0.04 0.01 0.14 99.74 0.08 0.00 0.00 0.00 91 L H H 89.58 2.91 19.85 22.31 91.86 50.29 -64.68 -41.55 0.15 0.00 99.85 0.01 0.01 0.10 99.83 0.05 0.00 0.00 0.00 92 F H H 75.94 8.90 17.58 27.15 92.01 50.08 -64.75 -41.63 0.09 0.00 99.91 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 93 L H H 61.08 10.13 17.33 28.27 91.65 50.49 -63.92 -41.66 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 94 L H H 89.86 3.60 20.21 23.62 91.80 50.62 -64.67 -41.76 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 95 I H H 81.92 5.06 19.65 24.93 91.88 49.24 -65.16 -41.95 0.18 0.00 99.82 0.01 0.01 0.13 99.78 0.06 0.00 0.00 0.00 96 L H H 51.02 11.95 17.52 29.95 91.98 49.48 -64.72 -41.69 0.40 0.00 99.60 0.03 0.02 0.30 99.50 0.14 0.00 0.00 0.00 97 L H H 71.48 8.19 19.37 28.28 91.96 49.60 -64.42 -41.26 0.95 0.00 99.04 0.06 0.04 0.78 98.88 0.23 0.00 0.00 0.00 98 A H H 57.30 3.30 21.27 24.18 91.81 50.47 -64.58 -41.22 1.40 0.00 98.59 0.11 0.08 1.10 98.39 0.32 0.00 0.00 0.00 99 A H H 42.20 6.97 19.63 27.24 91.90 50.15 -64.70 -41.19 1.97 0.01 98.02 0.21 0.16 1.44 97.76 0.43 0.00 0.00 0.00 100 S H H 27.37 11.53 17.19 29.87 91.81 51.32 -64.21 -41.38 2.10 0.01 97.89 0.31 0.18 1.43 97.65 0.43 0.00 0.00 0.00 101 L H H 78.97 5.44 20.08 26.07 91.86 50.40 -64.32 -41.38 1.13 0.00 98.86 0.14 0.09 0.77 98.68 0.32 0.00 0.00 0.00 102 A H H 52.63 3.66 19.51 23.35 91.55 50.95 -63.77 -42.21 0.77 0.00 99.22 0.11 0.05 0.50 99.05 0.28 0.00 0.00 0.00 103 Y H H 86.48 7.07 17.55 25.61 92.17 49.60 -65.01 -41.70 0.75 0.01 99.24 0.10 0.05 0.51 99.00 0.33 0.00 0.00 0.00 104 E H H 56.78 8.28 14.95 25.04 91.74 50.41 -63.99 -41.33 1.08 0.01 98.91 0.14 0.08 0.75 98.56 0.45 0.00 0.00 0.00 105 W H H 123.75 3.76 15.05 19.86 92.26 49.83 -65.05 -40.92 2.26 0.02 97.71 0.33 0.20 1.61 97.08 0.75 0.01 0.01 0.00 106 T H H 78.91 3.17 14.29 18.19 92.99 49.14 -67.80 -39.03 5.89 0.04 94.07 0.70 0.51 4.50 93.31 0.93 0.02 0.02 0.01 107 Q H H 107.06 4.01 12.97 18.10 94.38 45.67 -73.65 -31.21 18.75 0.09 81.17 1.38 1.70 15.62 79.85 1.30 0.05 0.03 0.05 108 K C H 126.76 3.21 11.97 16.33 98.60 40.16 -92.10 -2.34 54.42 0.29 45.30 3.63 6.19 43.16 44.76 1.91 0.05 0.10 0.20 109 G C T 47.31 3.20 11.13 15.83 102.70 -117.34 68.33 6.52 85.38 1.05 13.57 19.41 14.88 51.58 9.03 4.07 0.01 0.52 0.52 110 L C C 111.40 4.34 8.54 14.59 101.16 6.38 -80.17 12.39 83.20 4.98 11.82 46.54 16.57 20.98 5.43 5.74 0.01 3.02 1.71 111 E C C 139.67 1.95 10.08 13.40 108.89 113.75 -90.29 105.26 88.93 5.14 5.93 78.85 2.45 8.57 2.68 2.17 0.00 3.54 1.73 112 W C C 154.15 6.33 10.36 18.14 107.42 -135.97 -85.95 84.15 99.93 0.06 0.01 99.90 0.04 0.02 0.00 0.00 0.00 0.03 0.00