# 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 113.79 5.31 10.58 17.58 117.99 -140.41 -95.32 140.96 99.95 0.05 0.01 99.76 0.18 0.02 0.00 0.00 0.00 0.02 0.01 1 P C C 92.41 3.38 10.20 15.29 114.88 -104.10 -68.37 149.96 96.92 0.23 2.86 95.11 0.46 1.99 1.81 0.40 0.00 0.08 0.13 2 P C C 101.24 2.85 9.59 14.17 111.19 -102.84 -68.93 148.47 89.78 0.83 9.39 69.06 9.72 10.98 6.47 2.81 0.00 0.36 0.60 3 A C C 77.47 3.95 9.37 15.04 107.81 -106.54 -75.96 134.40 76.23 1.54 22.23 53.98 13.34 8.45 18.47 4.10 0.00 0.63 1.03 4 T C H 81.88 4.38 10.76 16.67 112.24 -125.70 -84.70 140.06 54.64 0.66 44.70 41.52 8.75 3.49 43.91 1.81 0.00 0.25 0.27 5 P H H 85.35 3.85 12.03 17.28 99.80 -110.07 -65.19 -38.24 31.90 0.58 67.52 24.69 3.23 4.49 65.24 1.90 0.00 0.27 0.19 6 F H H 127.92 4.58 12.80 18.14 94.66 50.21 -67.56 -36.19 11.67 0.32 88.01 7.89 1.83 3.03 85.02 1.97 0.01 0.17 0.09 7 A H H 56.91 4.64 13.76 19.52 93.13 53.01 -66.72 -39.06 5.19 0.15 94.66 3.24 0.81 1.54 92.89 1.39 0.00 0.09 0.03 8 T H H 73.88 3.34 15.62 19.58 93.02 50.72 -66.66 -39.94 3.38 0.09 96.54 1.78 0.51 1.26 95.35 1.03 0.00 0.06 0.02 9 A H H 51.26 4.60 15.45 21.08 92.45 50.79 -65.36 -40.93 2.92 0.05 97.03 1.20 0.40 1.28 96.31 0.75 0.00 0.03 0.01 10 S H H 49.84 5.47 15.87 22.25 92.58 50.86 -65.44 -40.65 2.91 0.03 97.06 1.14 0.36 1.27 96.68 0.53 0.00 0.02 0.01 11 A H H 50.46 4.39 16.18 21.53 92.08 50.98 -64.96 -40.59 2.39 0.02 97.58 0.92 0.28 1.02 97.35 0.41 0.00 0.01 0.00 12 T H H 69.78 3.37 16.94 20.81 92.41 50.42 -65.23 -41.17 2.14 0.02 97.84 0.79 0.24 0.95 97.58 0.41 0.00 0.01 0.00 13 I H H 81.59 4.82 16.10 21.64 92.18 50.02 -64.83 -41.76 1.77 0.02 98.21 0.61 0.19 0.81 98.00 0.38 0.00 0.01 0.00 14 R H H 121.45 4.87 16.10 21.62 92.02 50.52 -64.55 -40.98 1.80 0.02 98.18 0.60 0.18 0.84 98.04 0.32 0.00 0.01 0.00 15 R H H 132.32 3.17 16.36 20.04 92.10 50.60 -65.18 -40.38 1.77 0.02 98.22 0.51 0.17 0.90 98.05 0.36 0.00 0.01 0.00 16 R H H 127.93 3.24 16.68 20.23 92.28 50.21 -65.30 -40.67 2.01 0.02 97.97 0.58 0.21 1.06 97.65 0.49 0.00 0.01 0.00 17 V H H 68.53 5.65 15.37 22.00 92.42 49.54 -65.78 -40.96 2.64 0.04 97.32 0.83 0.28 1.36 96.85 0.65 0.00 0.02 0.01 18 L H H 81.25 5.04 15.18 21.26 92.50 50.69 -65.33 -39.85 3.44 0.05 96.51 1.03 0.40 1.86 95.73 0.93 0.01 0.03 0.01 19 Q H H 101.72 2.96 15.79 19.24 92.81 51.47 -66.84 -37.95 6.30 0.08 93.61 1.60 0.74 3.84 92.03 1.69 0.02 0.05 0.02 20 S H H 60.37 4.40 14.24 19.71 93.38 52.57 -70.71 -32.97 12.42 0.19 87.39 3.04 1.59 7.91 84.39 2.85 0.04 0.11 0.07 21 L H H 87.47 6.90 12.60 20.69 95.09 57.37 -71.73 -26.12 20.57 0.85 78.58 8.39 3.87 9.85 72.64 4.35 0.09 0.49 0.32 22 R H H 147.01 4.16 13.72 19.21 98.64 62.39 -75.71 -17.10 31.93 3.04 65.03 17.45 5.76 11.31 58.38 4.19 0.11 1.82 0.98 23 T H H 93.21 3.78 13.02 17.75 105.77 59.60 -89.90 21.03 44.93 4.92 50.16 24.93 7.43 14.69 44.32 4.03 0.11 2.80 1.70 24 R C H 142.31 5.15 11.10 17.76 112.58 85.48 -95.72 119.26 59.87 5.48 34.65 26.11 13.59 21.65 29.34 4.21 0.18 2.66 2.24 25 G C T 49.21 4.81 11.97 18.29 112.78 -114.17 -32.16 157.92 81.39 2.56 16.04 31.85 18.22 32.28 10.75 4.46 0.02 1.19 1.23 26 G C C 51.20 4.11 12.38 17.86 109.51 -8.24 84.58 1.05 87.42 2.42 10.17 42.77 20.43 24.95 3.72 5.71 0.00 1.11 1.31 27 A C C 72.31 5.38 10.74 17.60 109.80 102.28 -87.72 111.87 84.04 3.47 12.50 43.78 20.70 19.93 3.36 8.72 0.01 1.60 1.91 28 E C C 141.43 2.70 11.79 15.94 106.92 -157.31 -88.00 42.93 86.38 2.65 10.97 35.15 23.36 28.50 2.50 7.86 0.00 1.24 1.38 29 S C C 82.04 3.24 11.44 16.16 111.85 81.97 -96.64 108.59 89.72 2.50 7.78 36.83 27.91 25.27 1.71 5.79 0.00 1.14 1.35 30 G C C 37.02 5.58 12.15 19.29 130.20 86.47 159.48 176.72 94.91 3.10 2.00 51.44 39.46 4.06 0.64 1.28 0.00 1.31 1.81 31 P C C 91.91 4.24 13.79 19.30 111.16 -53.22 -69.67 147.74 86.31 2.87 10.81 52.15 18.90 14.94 2.63 8.42 0.00 1.46 1.49 32 S C C 67.68 6.90 12.03 20.22 109.95 -116.31 -86.11 123.21 77.98 4.43 17.59 51.06 12.85 13.46 3.91 14.32 0.00 2.35 2.05 33 R C C 128.63 7.37 13.41 21.80 109.70 -157.68 -92.06 106.30 66.92 6.11 26.96 35.10 14.16 18.77 5.32 20.84 0.03 3.17 2.59 34 W C C 133.50 9.35 12.73 22.66 102.17 47.14 -84.05 6.25 68.76 6.08 25.16 27.62 15.48 27.40 5.07 18.62 0.06 3.37 2.39 35 T C C 82.84 5.87 13.75 20.84 105.15 71.20 -97.51 16.02 74.96 8.11 16.94 32.44 21.76 21.66 4.19 11.99 0.06 4.19 3.70 36 S C S 45.18 7.98 10.33 20.04 120.53 106.17 -99.65 145.28 91.89 6.74 1.37 44.03 45.68 2.44 0.55 0.75 0.00 2.77 3.78 37 P C T 105.69 2.42 13.30 16.69 107.19 -101.37 -66.04 139.13 88.12 2.85 9.03 31.24 18.83 38.43 1.49 7.30 0.00 1.46 1.24 38 G C T 50.36 4.02 12.23 17.51 104.30 22.78 72.55 -7.91 87.51 2.27 10.23 27.94 20.05 39.75 1.60 8.43 0.00 1.12 1.10 39 H C C 110.15 7.20 10.73 18.96 103.26 61.98 -91.91 6.10 82.37 5.27 12.36 49.24 18.04 14.50 2.36 10.42 0.01 2.47 2.97 40 E C C 106.27 6.63 11.00 19.07 111.33 108.07 -92.77 126.10 85.44 6.94 7.62 54.12 21.01 9.87 2.15 5.46 0.00 3.17 4.22 41 E C C 136.75 2.61 14.38 18.06 114.34 -131.02 -95.28 134.08 91.93 5.34 2.73 57.20 29.68 4.78 0.89 1.82 0.00 2.34 3.27 42 R C C 133.14 7.16 12.73 21.41 116.94 -106.68 -75.23 143.19 96.64 2.45 0.90 67.61 25.81 3.28 0.24 0.66 0.00 1.10 1.30 43 P C C 53.06 12.06 11.02 23.75 113.68 -104.57 -66.76 147.57 96.53 2.10 1.38 80.29 10.23 5.86 0.33 1.04 0.00 0.95 1.29 44 K C C 145.39 2.80 15.85 19.48 109.48 -148.07 -97.83 90.39 89.29 8.87 1.84 66.19 16.61 5.21 0.60 1.27 0.00 3.23 6.89 45 G C C 27.58 9.19 10.49 20.72 122.15 85.58 -86.63 160.70 85.93 10.91 3.16 47.38 30.69 7.41 1.03 2.06 0.01 4.12 7.31 46 Y C T 141.61 4.38 13.64 19.04 98.46 -99.94 -73.99 -29.73 56.28 15.33 28.39 12.91 20.32 24.03 4.40 21.39 0.38 4.91 11.68 47 L C T 97.69 6.41 12.42 19.71 96.76 39.97 -74.86 -32.01 66.77 1.60 31.62 2.45 8.32 54.99 1.64 30.84 0.01 0.89 0.86 48 F C T 109.30 6.33 11.20 18.96 100.03 33.15 -97.45 7.86 65.41 1.23 33.36 3.09 8.00 53.08 1.84 32.55 0.01 0.68 0.74 49 N C C 118.26 2.88 12.95 17.22 97.56 -124.83 60.31 34.05 85.41 6.94 7.65 35.65 20.53 29.26 1.46 6.23 0.01 2.81 4.05 50 R C C 113.01 6.09 10.69 18.75 122.53 141.80 -100.87 145.64 86.14 13.11 0.75 68.03 15.99 1.38 0.31 0.46 0.00 4.47 9.36 51 T C C 103.80 2.27 15.26 18.49 114.91 -116.38 -90.64 129.75 95.40 4.52 0.08 87.17 8.23 0.24 0.02 0.05 0.00 2.01 2.27 52 P C C 58.39 12.78 9.86 22.84 117.42 -109.79 -68.23 149.14 99.07 0.91 0.03 95.23 3.74 0.11 0.01 0.01 0.00 0.31 0.60 53 P C C 58.47 7.02 11.18 20.29 117.02 -105.21 -65.77 152.49 99.57 0.41 0.02 96.79 2.68 0.06 0.01 0.01 0.00 0.10 0.34 54 P C C 92.71 2.32 13.03 16.22 115.69 -97.12 -64.15 151.88 99.58 0.27 0.15 93.76 4.74 0.95 0.03 0.13 0.00 0.08 0.31 55 P C T 113.93 2.33 9.49 13.71 110.07 -80.85 -60.09 136.27 99.01 0.10 0.89 1.67 5.25 92.02 0.06 0.88 0.00 0.05 0.07 56 G C T 66.42 0.57 11.34 10.88 96.61 18.75 85.19 -1.73 99.00 0.09 0.91 2.25 5.04 91.60 0.06 0.96 0.00 0.05 0.03 57 Q C C 104.46 3.80 8.63 14.63 121.00 111.44 -97.55 146.15 95.37 3.90 0.73 70.98 22.59 1.26 0.21 0.55 0.00 1.38 3.04 58 S C C 84.51 2.02 11.68 15.11 120.93 -144.97 -101.15 147.97 93.78 5.77 0.46 89.99 3.33 0.68 0.14 0.25 0.00 3.50 2.10 59 R C C 112.67 10.53 8.38 19.42 115.57 -117.54 -85.46 139.18 83.51 15.17 1.32 77.48 4.60 0.93 0.67 0.61 0.00 8.69 7.02 60 K C C 142.49 2.14 14.64 17.60 118.09 -140.80 -96.51 139.74 88.68 8.87 2.45 81.55 5.31 1.70 1.12 1.24 0.00 6.12 2.95 61 W C C 145.62 7.96 9.65 19.05 113.64 -112.23 -77.60 134.55 87.24 7.35 5.41 75.52 7.92 3.41 2.52 2.84 0.00 4.32 3.47 62 E C C 85.51 6.65 10.45 18.78 119.10 -156.43 -104.11 146.32 82.82 3.55 13.62 66.36 10.59 5.22 6.00 7.85 0.00 1.69 2.29 63 D H G 118.99 1.39 12.97 14.75 93.52 -108.42 -59.98 -33.88 37.33 0.46 62.20 4.86 5.12 26.21 7.98 55.33 0.01 0.25 0.23 64 W H G 153.17 4.29 12.70 18.18 94.43 56.70 -80.46 -14.74 34.95 0.23 64.82 2.75 3.50 26.97 9.35 57.16 0.01 0.12 0.13 65 E H G 51.37 12.85 10.51 23.86 95.59 65.95 -76.16 -19.77 22.40 0.44 77.15 6.31 3.56 12.16 25.77 51.73 0.03 0.22 0.23 66 L H H 77.73 6.03 14.13 21.70 93.75 73.87 -62.91 -42.36 5.97 0.02 94.01 2.06 1.28 2.61 92.73 1.30 0.00 0.01 0.01 67 P H H 79.02 2.34 17.17 19.08 92.33 50.46 -64.72 -39.77 2.37 0.01 97.62 0.42 0.21 1.58 96.68 1.11 0.00 0.00 0.00 68 C H H 53.89 6.59 15.08 23.10 92.27 50.14 -66.13 -39.68 1.03 0.00 98.96 0.16 0.08 0.71 97.98 1.08 0.00 0.00 0.00 69 Y H H 84.27 9.52 14.32 24.78 92.30 50.47 -65.42 -41.57 0.75 0.00 99.25 0.10 0.06 0.52 98.78 0.53 0.00 0.00 0.00 70 I H H 95.39 2.79 17.62 20.44 92.10 48.87 -64.69 -41.93 1.08 0.00 98.92 0.07 0.06 0.89 98.52 0.45 0.00 0.00 0.00 71 T H H 70.48 3.01 17.36 20.61 92.09 48.53 -65.52 -41.12 3.54 0.00 96.46 0.12 0.13 3.33 95.83 0.57 0.01 0.00 0.00 72 S H H 38.71 8.54 14.92 24.86 92.28 50.24 -65.64 -40.34 6.77 0.00 93.22 0.21 0.28 6.28 92.62 0.59 0.01 0.00 0.00 73 F H H 99.45 5.61 16.65 23.02 92.06 50.80 -64.39 -41.80 1.82 0.00 98.18 0.13 0.12 1.45 98.06 0.23 0.00 0.00 0.00 74 L H H 92.30 2.23 18.33 19.92 91.91 49.88 -64.61 -41.70 0.43 0.00 99.57 0.05 0.02 0.29 99.53 0.11 0.00 0.00 0.00 75 T H H 60.47 4.61 16.77 22.48 91.90 49.67 -65.28 -40.94 0.18 0.00 99.82 0.02 0.01 0.11 99.79 0.06 0.00 0.00 0.00 76 I H H 71.92 7.63 16.05 24.61 92.03 49.93 -64.96 -41.65 0.06 0.00 99.94 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 77 V H H 79.76 3.61 17.56 21.52 91.82 50.09 -63.94 -42.24 0.06 0.00 99.94 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 78 I H H 99.81 2.12 18.43 19.83 91.99 48.26 -65.50 -41.74 0.09 0.00 99.91 0.00 0.00 0.08 99.87 0.05 0.00 0.00 0.00 79 L H H 76.70 5.50 16.35 22.93 92.02 49.60 -64.98 -41.44 0.20 0.00 99.80 0.01 0.00 0.17 99.72 0.10 0.00 0.00 0.00 80 G H H 29.14 6.52 15.04 22.88 92.32 51.55 -64.19 -41.78 0.77 0.00 99.23 0.04 0.03 0.65 99.00 0.29 0.00 0.00 0.00 81 V H H 86.45 2.15 17.74 19.30 92.17 49.00 -65.34 -41.03 1.41 0.00 98.59 0.06 0.07 1.24 98.11 0.52 0.00 0.00 0.00 82 G H H 34.27 3.46 15.92 20.19 92.23 50.68 -64.97 -40.31 2.52 0.00 97.48 0.16 0.17 2.05 95.69 1.93 0.00 0.00 0.00 83 L H H 70.33 8.17 13.41 22.91 92.31 51.08 -66.66 -36.47 6.27 0.01 93.71 0.31 0.35 5.40 87.47 6.44 0.01 0.00 0.01 84 N H H 101.73 4.13 14.51 19.78 92.18 55.38 -70.45 -22.69 16.74 0.03 83.23 0.68 0.88 14.98 78.29 5.11 0.03 0.01 0.02 85 A H H 82.44 1.86 14.66 16.47 95.85 53.11 -86.89 -6.41 40.21 0.29 59.50 4.17 7.15 29.36 54.42 4.41 0.13 0.10 0.26 86 K C C 101.29 7.47 10.47 19.59 117.13 96.63 -91.07 131.39 99.06 0.58 0.36 57.70 40.42 0.94 0.18 0.14 0.00 0.16 0.45 87 P C C 88.28 4.47 14.17 19.99 110.64 -114.74 -68.72 147.82 96.27 0.75 2.97 41.65 14.84 39.70 0.40 2.68 0.00 0.41 0.33 88 D C C 82.66 8.54 12.48 22.11 110.16 -108.80 -82.84 119.89 95.47 1.05 3.48 41.70 14.17 39.51 0.44 3.17 0.00 0.56 0.46 89 L C C 83.16 8.77 13.95 23.94 104.74 173.79 -103.30 14.50 94.38 1.88 3.74 65.23 24.01 4.74 0.81 3.08 0.00 0.76 1.38 90 T C C 60.71 5.16 17.88 23.74 122.35 125.57 -89.02 162.64 90.24 6.91 2.84 54.21 34.68 0.86 2.42 0.39 0.00 1.18 6.26 91 I H H 72.19 12.19 14.14 26.89 91.62 -108.67 -60.37 -37.65 2.91 0.01 97.07 0.56 0.61 1.57 96.70 0.54 0.00 0.00 0.01 92 E H H 101.44 6.65 17.46 24.83 91.84 54.14 -64.10 -39.98 1.90 0.01 98.09 0.30 0.19 1.24 97.67 0.60 0.00 0.00 0.00 93 T H H 51.96 4.93 17.72 23.87 92.19 49.57 -65.22 -41.77 1.01 0.00 98.99 0.21 0.10 0.60 98.54 0.56 0.00 0.00 0.00 94 W H H 82.32 7.36 17.57 26.28 91.87 50.36 -64.17 -42.57 0.30 0.00 99.70 0.06 0.02 0.16 99.61 0.15 0.00 0.00 0.00 95 A H H 27.91 10.62 16.63 28.60 91.77 49.98 -63.99 -41.92 0.29 0.00 99.71 0.04 0.02 0.17 99.70 0.07 0.00 0.00 0.00 96 H H H 89.10 6.89 18.93 26.42 91.98 50.18 -64.75 -41.22 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 97 E H H 101.69 3.12 20.87 23.60 91.94 49.95 -65.00 -41.61 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 98 K H H 91.35 5.38 19.71 25.50 92.03 48.96 -64.94 -41.15 0.22 0.00 99.78 0.04 0.01 0.12 99.81 0.02 0.00 0.00 0.00 99 A H H 27.34 9.46 15.94 27.10 91.71 51.08 -63.81 -41.47 0.27 0.00 99.73 0.06 0.01 0.13 99.77 0.03 0.00 0.00 0.00 100 L H H 79.82 3.91 18.76 23.18 91.48 50.35 -64.15 -41.31 0.28 0.00 99.72 0.05 0.01 0.14 99.76 0.03 0.00 0.00 0.00 101 E H H 99.82 2.45 19.11 20.96 91.66 50.47 -64.25 -41.44 0.39 0.00 99.60 0.07 0.02 0.21 99.66 0.05 0.00 0.00 0.00 102 R H H 108.27 4.71 17.05 22.55 91.98 49.85 -64.85 -41.09 0.75 0.00 99.25 0.15 0.05 0.40 99.31 0.09 0.00 0.00 0.00 103 L H H 70.52 5.58 15.14 22.07 91.81 50.73 -64.64 -40.53 1.30 0.01 98.69 0.33 0.11 0.69 98.65 0.22 0.00 0.00 0.00 104 K H H 124.16 1.87 16.65 18.19 91.80 50.93 -64.94 -40.13 3.22 0.02 96.76 0.72 0.28 1.91 96.69 0.38 0.00 0.01 0.00 105 I H H 96.64 2.32 15.25 17.72 92.41 49.94 -66.02 -40.08 6.25 0.05 93.70 1.84 0.75 3.42 93.31 0.64 0.01 0.02 0.02 106 E H H 104.78 3.51 14.24 18.65 92.85 51.40 -66.72 -39.27 6.92 0.07 93.00 2.53 1.05 3.29 92.20 0.87 0.01 0.03 0.02 107 N H H 92.12 2.68 14.35 17.66 94.18 51.06 -65.34 -38.95 11.00 0.11 88.89 4.12 1.52 5.50 87.06 1.68 0.01 0.05 0.05 108 A H H 63.19 2.53 13.45 16.67 93.64 52.52 -66.19 -39.49 10.96 0.15 88.89 4.59 1.73 4.98 86.10 2.45 0.01 0.08 0.06 109 L H H 98.94 2.91 12.44 16.41 94.37 51.36 -69.13 -35.43 14.53 0.26 85.21 6.21 2.41 6.54 81.80 2.78 0.02 0.13 0.10 110 A H H 68.72 2.77 11.77 15.61 95.51 55.55 -71.51 -31.24 24.70 0.40 74.91 10.72 4.32 10.47 71.44 2.67 0.02 0.17 0.18 111 S H H 78.18 2.17 11.52 14.53 100.17 56.77 -77.52 -15.65 43.77 0.54 55.69 19.30 8.96 16.40 51.99 2.83 0.02 0.22 0.29 112 N C H 106.62 2.98 9.41 13.90 102.08 70.28 -81.08 0.58 58.97 0.78 40.25 30.34 10.90 18.68 34.83 4.47 0.01 0.32 0.44 113 N C C 110.60 2.63 9.28 13.40 103.56 82.75 -82.93 11.05 63.47 1.19 35.34 37.22 11.61 15.42 27.31 7.22 0.01 0.52 0.69 114 D C C 107.38 2.23 8.85 12.47 103.05 78.77 -81.47 2.09 63.19 1.48 35.33 35.07 12.25 16.63 22.94 11.60 0.02 0.70 0.80 115 S C C 84.88 2.13 7.92 11.59 102.99 91.72 -82.18 9.67 67.13 2.03 30.84 34.92 13.49 19.83 18.06 11.63 0.02 0.97 1.06 116 S C C 88.43 1.72 7.71 10.84 105.37 87.24 -84.79 52.89 79.20 1.33 19.47 62.22 2.72 16.24 10.89 6.43 0.00 0.77 0.72 117 E C C 139.36 2.48 9.67 13.78 107.00 93.94 -85.06 99.09 99.88 0.06 0.06 99.69 0.12 0.10 0.03 0.00 0.00 0.03 0.01