# 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 110.49 5.10 12.00 18.46 110.06 -150.91 -85.56 121.35 99.65 0.16 0.19 99.43 0.17 0.14 0.13 0.02 0.00 0.07 0.04 1 A C C 75.44 3.08 10.67 15.05 99.60 102.75 -71.40 -28.23 64.93 1.47 33.60 55.33 1.41 7.98 31.20 2.70 0.00 0.77 0.61 2 G C H 47.16 2.53 10.74 14.33 101.11 51.49 -66.41 -38.43 55.00 1.82 43.19 36.11 7.13 11.76 39.44 3.90 0.02 0.96 0.69 3 M H H 113.23 2.97 10.41 14.63 97.05 51.49 -72.13 -32.20 39.51 1.63 58.86 26.47 6.20 8.46 52.47 4.93 0.02 0.90 0.54 4 S H H 60.19 3.21 11.66 16.15 94.59 59.26 -66.48 -38.91 30.10 1.42 68.48 21.41 4.57 6.26 61.85 4.64 0.02 0.82 0.44 5 A H H 61.23 2.82 12.57 16.44 92.85 53.56 -65.85 -39.08 16.84 0.90 82.26 10.36 3.19 5.31 75.17 5.10 0.03 0.59 0.26 6 L H H 97.49 3.08 12.99 17.17 92.72 51.38 -66.51 -39.14 10.17 0.59 89.24 4.70 1.81 4.48 81.33 7.04 0.05 0.45 0.14 7 K H H 121.39 3.24 14.03 18.32 92.75 51.51 -66.49 -37.55 11.61 0.49 87.89 3.62 1.73 6.51 78.93 8.63 0.08 0.37 0.13 8 R H H 143.10 2.52 14.72 17.76 93.00 50.72 -68.16 -36.97 20.23 0.43 79.34 3.40 2.30 14.44 71.18 8.11 0.12 0.28 0.16 9 L H H 89.43 3.57 15.18 19.53 93.83 49.66 -71.58 -33.93 18.49 0.32 81.19 3.75 2.85 12.53 76.20 4.24 0.11 0.17 0.16 10 A H H 48.50 5.36 14.37 21.38 92.31 59.30 -62.97 -41.92 10.54 0.31 89.15 5.08 1.80 4.37 81.91 6.53 0.02 0.21 0.08 11 P H H 68.90 4.31 15.97 21.29 92.12 50.75 -64.58 -39.43 8.86 0.46 90.69 4.04 1.19 4.07 82.95 7.24 0.02 0.40 0.09 12 F H H 121.47 3.02 17.13 20.35 92.52 50.10 -65.89 -40.53 5.86 0.58 93.57 2.75 0.99 2.66 86.04 6.90 0.03 0.56 0.08 13 A H H 55.98 4.83 16.25 22.11 92.51 50.34 -65.81 -40.17 7.93 1.06 91.01 4.34 1.38 3.19 86.17 3.78 0.03 0.94 0.16 14 H H H 105.97 4.87 17.05 22.83 92.81 49.72 -66.62 -39.66 12.81 1.61 85.58 6.77 2.12 5.31 81.01 3.12 0.05 1.33 0.29 15 V H H 79.11 3.91 17.62 21.93 92.89 50.41 -65.96 -40.58 12.15 1.19 86.67 5.81 2.13 5.48 82.46 2.90 0.06 0.91 0.26 16 G H H 33.59 4.73 17.23 22.87 92.87 50.69 -64.54 -40.70 13.79 0.74 85.47 5.79 2.31 6.86 80.84 3.43 0.05 0.52 0.20 17 G H H 28.41 7.32 15.39 24.24 92.64 51.98 -65.24 -39.91 16.01 0.85 83.14 6.61 2.72 8.07 76.92 4.75 0.07 0.62 0.24 18 H H H 106.01 4.77 16.98 22.67 92.74 51.48 -65.93 -39.56 14.77 1.54 83.69 6.84 2.67 6.80 76.56 5.45 0.09 1.25 0.35 19 L H H 92.81 3.88 17.05 21.50 92.81 50.74 -66.56 -40.15 15.25 2.33 82.43 7.64 2.79 6.51 75.55 5.03 0.09 1.92 0.46 20 F H H 106.51 5.71 15.97 22.69 93.23 49.12 -68.51 -37.92 19.32 2.29 78.39 9.96 3.46 7.90 71.93 4.39 0.09 1.71 0.55 21 R H H 125.48 5.77 15.88 22.69 93.82 52.00 -67.66 -37.34 23.28 1.12 75.60 10.13 4.27 10.61 70.32 3.53 0.08 0.67 0.37 22 G H H 35.41 5.10 15.92 22.11 95.05 51.32 -64.33 -41.21 25.24 0.68 74.09 10.43 4.60 11.73 69.13 3.44 0.06 0.36 0.27 23 R H H 131.13 3.48 16.80 20.78 93.80 48.72 -67.50 -38.91 18.59 0.64 80.77 8.44 3.84 8.16 74.15 4.75 0.06 0.37 0.23 24 C H H 57.08 6.55 14.49 22.38 93.64 51.90 -66.89 -39.19 16.93 0.84 82.23 8.63 3.12 6.97 74.76 5.67 0.06 0.56 0.25 25 A H H 52.72 6.06 13.68 21.32 93.19 53.14 -66.11 -37.76 16.20 0.97 82.83 8.32 2.96 6.61 74.46 6.66 0.06 0.67 0.27 26 R H H 155.67 2.32 14.84 17.92 93.57 52.32 -68.23 -35.51 18.69 1.34 79.98 8.52 3.60 8.52 71.60 6.37 0.11 0.89 0.41 27 A H H 71.19 3.82 13.34 18.18 95.22 52.90 -72.30 -28.53 27.45 1.55 71.00 11.14 5.31 13.16 63.61 5.19 0.13 0.90 0.57 28 V H H 94.73 5.05 11.57 17.94 100.23 53.39 -87.31 -9.04 48.41 1.91 49.68 14.76 9.97 25.61 43.35 4.33 0.18 0.91 0.90 29 G C T 53.96 2.98 12.69 16.98 105.63 -44.75 77.59 5.43 77.71 1.90 20.39 31.65 14.40 32.42 15.36 4.33 0.02 0.88 0.94 30 A C C 81.56 3.27 10.80 15.77 108.05 118.26 -83.27 104.14 84.98 2.67 12.35 38.80 18.43 28.61 5.87 5.74 0.01 1.38 1.18 31 G C C 58.96 1.99 12.31 15.46 109.09 2.10 88.25 10.39 88.56 3.76 7.68 40.62 21.69 27.08 2.28 4.92 0.00 2.26 1.15 32 G C C 45.05 4.88 11.11 17.77 122.44 -148.84 130.26 173.93 83.78 11.71 4.51 51.36 22.20 10.49 1.35 3.25 0.00 9.07 2.28 33 V C C 103.20 4.60 11.15 17.67 118.63 -93.69 -102.82 133.98 65.80 31.90 2.30 52.41 9.23 2.37 1.25 1.33 0.00 25.90 7.51 34 R C C 143.73 5.17 10.99 18.19 116.78 -151.52 -101.34 134.10 59.62 38.39 1.99 49.98 5.86 1.73 1.15 1.05 0.00 32.25 7.97 35 R C C 157.77 3.98 10.94 16.84 113.71 -138.52 -90.75 125.05 67.08 29.91 3.01 54.23 7.51 3.66 1.36 1.86 0.00 24.79 6.57 36 A C C 80.73 3.87 9.65 15.14 109.29 -148.67 -89.75 109.96 82.83 11.03 6.14 38.72 17.93 27.17 1.25 4.88 0.01 7.49 2.55 37 G C T 54.71 2.70 10.57 14.76 112.78 24.37 106.23 151.83 87.24 6.19 6.57 28.18 25.71 33.95 0.92 5.70 0.01 3.51 2.03 38 G C C 54.54 2.81 10.07 14.48 114.84 50.92 -131.77 157.85 88.58 5.26 6.16 36.83 31.59 20.11 0.86 5.70 0.00 2.67 2.23 39 G C C 48.82 3.15 10.01 14.78 120.13 -68.16 124.40 171.41 87.59 5.25 7.17 37.60 29.42 20.65 1.11 6.36 0.00 2.67 2.19 40 A C C 87.33 2.37 9.41 13.13 103.65 -75.58 -82.28 9.92 84.59 5.87 9.54 31.68 25.81 27.76 1.41 8.02 0.01 3.05 2.27 41 H C C 145.70 2.29 9.17 12.74 102.25 62.64 -86.94 1.15 84.68 7.23 8.09 35.07 26.42 23.99 1.37 6.62 0.01 3.78 2.74 42 I C C 116.05 3.34 8.99 13.99 111.29 71.96 -95.18 112.85 86.89 8.47 4.65 46.10 31.40 9.62 1.12 3.52 0.01 4.44 3.79 43 E C C 135.05 2.23 11.31 14.85 116.08 -127.35 -93.97 133.93 92.09 6.97 0.94 59.00 31.36 2.20 0.30 0.64 0.00 4.28 2.22 44 P C C 86.08 5.61 9.35 16.75 113.49 -107.25 -70.92 142.42 90.36 7.16 2.48 70.48 13.19 6.40 0.63 2.00 0.00 5.05 2.25 45 R C C 134.24 4.80 10.35 17.05 121.31 -164.94 -115.12 142.97 73.37 23.49 3.14 59.48 8.02 4.00 1.29 1.95 0.00 11.78 13.48 46 Y C C 149.94 4.80 9.57 15.94 107.45 -136.38 -85.36 89.13 76.16 15.58 8.26 34.33 20.99 22.28 1.86 6.19 0.07 8.78 5.49 47 R C S 152.75 3.71 10.03 15.21 110.59 32.70 -98.17 94.62 87.98 5.64 6.38 25.94 35.45 27.19 1.06 5.16 0.01 3.16 2.03 48 Q C C 137.89 1.76 11.78 14.42 114.02 -110.85 -97.69 127.44 90.66 4.44 4.90 46.39 33.32 10.78 0.97 4.04 0.00 2.04 2.47 49 F C C 126.88 6.02 8.14 15.92 116.98 -124.93 -87.80 138.35 96.96 2.10 0.94 73.73 21.74 1.51 0.34 0.55 0.00 0.92 1.21 50 P C C 83.18 4.29 10.41 16.53 114.81 -107.11 -69.18 149.67 97.94 0.96 1.09 89.84 6.24 1.96 0.33 0.67 0.00 0.49 0.47 51 Q C C 146.70 1.47 12.51 14.90 113.01 -109.32 -79.49 134.33 97.28 1.75 0.97 91.86 4.21 1.13 0.43 0.44 0.00 0.60 1.33 52 L C C 70.17 12.08 6.77 18.66 115.92 -121.71 -82.20 139.60 98.70 1.01 0.29 95.76 2.78 0.19 0.18 0.07 0.00 0.32 0.70 53 T C C 77.97 2.00 14.31 16.28 119.45 -119.00 -77.22 160.64 98.67 0.94 0.38 97.86 0.84 0.15 0.23 0.05 0.00 0.23 0.63 54 R H H 171.26 2.22 11.08 14.95 91.80 -109.15 -58.49 -37.69 2.07 0.01 97.93 0.46 0.36 1.06 97.76 0.35 0.00 0.00 0.00 55 S H H 76.41 1.36 13.98 14.81 92.23 54.03 -64.82 -39.36 0.87 0.00 99.13 0.12 0.07 0.55 98.87 0.38 0.00 0.00 0.00 56 Q H H 70.45 6.78 13.60 22.03 92.11 49.29 -66.37 -40.01 0.22 0.00 99.78 0.04 0.02 0.12 99.57 0.25 0.00 0.00 0.00 57 V H H 47.43 10.73 13.36 25.21 91.67 51.30 -63.68 -42.75 0.08 0.00 99.92 0.01 0.01 0.04 99.89 0.05 0.00 0.00 0.00 58 I H H 91.48 2.74 18.24 20.81 91.68 49.41 -64.07 -42.30 0.11 0.00 99.89 0.01 0.01 0.07 99.89 0.03 0.00 0.00 0.00 59 Q H H 93.96 2.69 19.18 21.45 91.72 49.66 -64.34 -41.60 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 60 A H H 25.21 10.35 15.18 27.23 91.82 50.83 -64.06 -41.88 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 61 E H H 83.59 7.71 17.94 26.49 91.78 50.62 -64.32 -41.31 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 62 F H H 117.92 2.33 19.91 21.32 91.94 49.62 -64.43 -42.45 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 63 F H H 102.45 4.05 19.40 23.66 92.04 48.87 -64.83 -41.86 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 64 S H H 33.51 9.77 16.19 27.23 91.88 50.59 -64.47 -41.52 0.17 0.00 99.83 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 65 A H H 50.81 4.14 18.09 22.91 91.74 50.86 -64.11 -41.36 0.15 0.00 99.85 0.01 0.01 0.10 99.87 0.01 0.00 0.00 0.00 66 T H H 73.18 2.49 19.21 21.03 91.84 49.93 -64.57 -41.82 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 67 M H H 75.08 6.23 16.91 24.30 91.99 50.18 -64.69 -41.45 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 68 W H H 113.01 6.77 16.87 24.67 91.90 50.11 -64.42 -41.54 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 69 F H H 111.15 2.70 18.36 20.78 91.78 50.40 -64.40 -41.88 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 70 W H H 121.97 3.98 17.94 22.43 91.90 49.87 -64.42 -42.07 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 71 I H H 56.85 9.02 15.74 26.03 91.87 49.92 -64.19 -42.37 0.07 0.00 99.93 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 72 L H H 77.13 4.82 17.28 23.05 91.61 50.12 -63.99 -41.68 0.20 0.00 99.80 0.00 0.00 0.18 99.76 0.05 0.00 0.00 0.00 73 W H H 130.86 2.56 18.07 20.33 91.61 49.95 -64.57 -41.54 0.33 0.00 99.67 0.01 0.01 0.29 99.57 0.12 0.00 0.00 0.00 74 R H H 79.16 7.50 15.15 24.17 92.27 50.56 -65.56 -39.66 0.43 0.00 99.57 0.02 0.02 0.39 99.22 0.36 0.00 0.00 0.00 75 F H H 77.75 9.39 13.18 23.83 92.09 51.08 -66.27 -38.19 0.70 0.00 99.30 0.02 0.03 0.63 98.68 0.63 0.00 0.00 0.00 76 W H H 161.46 2.81 15.73 18.86 94.73 46.08 -74.53 -35.56 2.68 0.00 97.31 0.07 0.11 2.53 96.76 0.53 0.00 0.00 0.00 77 H H H 126.76 2.38 15.00 17.46 98.98 36.63 -91.30 -29.19 12.00 0.04 87.96 0.38 1.15 10.53 87.37 0.50 0.03 0.01 0.02 78 D C C 60.60 7.49 11.90 20.96 111.28 24.04 -131.05 75.94 91.92 0.50 7.58 67.71 13.82 8.98 8.12 0.76 0.00 0.16 0.44 79 S H H 56.44 7.09 11.89 20.82 93.30 166.04 -63.09 -33.72 16.79 0.17 83.04 2.62 1.86 11.82 69.59 13.85 0.08 0.09 0.10 80 D H H 86.64 4.45 15.08 20.72 91.91 59.72 -66.66 -31.73 9.63 0.05 90.31 0.63 0.70 7.73 77.97 12.87 0.04 0.02 0.03 81 A H H 44.11 8.36 12.95 22.74 93.02 54.81 -68.11 -35.12 5.56 0.05 94.39 0.50 0.47 4.27 81.89 12.80 0.03 0.03 0.02 82 V H H 73.73 7.90 13.78 22.65 95.27 47.02 -73.96 -37.02 10.42 0.13 89.45 0.79 1.17 8.54 81.80 7.45 0.12 0.07 0.06 83 L H H 96.05 4.56 14.82 20.13 98.78 40.20 -97.29 -10.38 37.24 0.86 61.90 3.41 7.34 27.74 56.42 3.76 0.42 0.33 0.60 84 G C T 37.45 5.42 13.89 20.93 112.01 -120.66 82.17 18.14 97.81 0.83 1.35 29.02 23.99 45.06 0.46 0.72 0.00 0.43 0.33 85 H C C 119.41 5.25 13.47 20.06 110.27 21.63 -92.74 115.27 95.85 3.27 0.88 65.70 24.78 5.28 0.23 0.70 0.00 1.41 1.91 86 F C C 87.38 9.91 10.24 21.26 115.66 -137.63 -106.78 121.14 96.92 2.83 0.25 83.62 12.28 0.84 0.08 0.17 0.00 1.19 1.82 87 P C S 91.32 3.97 15.22 20.19 104.97 -130.86 -71.02 131.79 99.17 0.70 0.14 31.13 65.57 2.59 0.02 0.11 0.00 0.33 0.26 88 Y C S 136.13 6.75 13.18 21.25 115.42 -5.81 -108.40 125.48 99.10 0.82 0.08 22.92 74.69 1.61 0.01 0.06 0.00 0.36 0.35 89 P C C 48.89 12.93 10.33 23.76 116.02 -122.86 -69.76 149.83 99.17 0.77 0.06 92.83 6.06 0.26 0.02 0.03 0.00 0.28 0.53 90 D C C 82.46 3.45 17.70 21.60 107.96 -121.48 -87.28 113.89 99.51 0.45 0.05 98.53 0.95 0.06 0.01 0.01 0.00 0.12 0.32 91 P H G 53.42 14.89 9.70 24.80 92.27 -160.71 -62.87 -23.66 10.38 0.08 89.54 0.99 0.86 6.89 0.93 90.27 0.00 0.05 0.01 92 S H G 82.88 2.78 14.60 18.63 90.67 66.10 -71.75 -15.78 9.34 0.04 90.62 0.35 0.55 7.40 0.93 90.74 0.00 0.03 0.00 93 Q H G 128.07 1.96 15.95 17.84 95.40 53.12 -93.18 -9.30 9.19 0.10 90.72 0.95 1.12 5.88 1.27 90.70 0.00 0.07 0.01 94 W C C 64.98 13.50 8.81 22.81 119.60 87.36 -98.28 140.29 92.38 1.96 5.67 66.43 23.38 2.40 2.49 2.73 0.00 0.60 1.97 95 T C C 54.78 4.69 17.83 23.39 126.36 -152.61 -103.16 167.02 85.03 9.81 5.17 66.98 13.06 2.03 4.12 1.09 0.00 1.93 10.79 96 D H H 60.47 12.48 11.37 24.40 92.16 -105.54 -60.90 -36.19 41.77 5.57 52.66 8.40 15.76 19.97 37.15 9.49 2.26 1.35 5.62 97 E H H 139.66 1.56 15.58 17.15 92.32 53.99 -65.21 -39.13 39.43 0.27 60.31 1.29 3.41 34.06 37.62 22.98 0.30 0.13 0.22 98 E H H 109.69 4.87 14.51 20.56 93.13 49.05 -69.33 -34.74 38.41 0.41 61.18 1.31 3.15 32.99 36.32 25.31 0.35 0.21 0.37 99 L H T 58.90 11.56 12.05 24.47 95.40 38.69 -94.61 -5.35 43.35 0.57 56.08 2.09 4.86 35.72 32.48 23.63 0.33 0.26 0.62 100 G C T 51.51 2.41 18.10 20.40 95.28 -114.16 79.26 14.10 99.26 0.20 0.54 20.67 8.53 70.16 0.14 0.30 0.00 0.11 0.10 101 I C C 45.23 12.56 9.62 23.36 117.90 130.76 -101.56 132.68 96.32 3.55 0.14 71.86 23.82 0.39 0.05 0.07 0.00 0.97 2.83 102 P C C 64.49 4.65 15.57 21.64 114.47 -109.83 -66.60 150.26 99.29 0.57 0.14 95.93 3.02 0.39 0.03 0.08 0.00 0.24 0.31 103 P C C 78.31 7.87 11.74 20.90 99.69 -105.03 -64.05 -16.33 78.51 1.32 20.17 44.66 10.79 20.92 2.08 20.18 0.00 0.65 0.71 104 D C T 103.20 3.51 11.48 16.38 100.57 64.85 -81.51 -5.39 75.54 1.51 22.94 24.50 17.14 33.24 1.96 21.67 0.00 0.76 0.73 105 D C C 98.71 4.08 9.45 15.13 100.97 77.75 -86.32 9.50 72.16 2.03 25.81 38.56 12.54 19.82 2.58 24.57 0.00 1.06 0.86 106 E C C 123.43 4.26 8.16 14.21 107.47 101.40 -86.52 86.71 88.70 1.34 9.96 76.75 3.33 9.59 2.69 6.20 0.00 0.71 0.73 107 D C C 114.47 2.14 11.25 14.76 108.30 -130.38 -83.87 103.81 99.84 0.07 0.09 99.42 0.23 0.25 0.04 0.01 0.00 0.04 0.01