# 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 104.88 7.15 13.87 22.19 117.64 -157.30 -102.41 131.73 99.60 0.36 0.04 99.60 0.10 0.04 0.02 0.00 0.00 0.20 0.03 1 V C C 86.94 7.07 11.09 19.57 117.60 -161.24 -103.33 131.52 75.81 16.92 7.27 71.98 1.27 2.47 5.83 1.41 0.00 13.38 3.66 2 Y C C 134.36 5.83 10.56 18.04 116.45 -154.70 -98.97 132.28 62.21 24.55 13.23 48.21 6.73 5.74 10.29 3.73 0.03 21.57 3.70 3 Q C C 116.03 4.81 12.17 18.47 112.99 -155.81 -94.20 124.85 59.51 20.33 20.16 38.96 9.62 10.02 15.90 4.92 0.07 18.27 2.25 4 G C C 39.28 7.67 12.53 21.12 113.91 -152.21 -94.35 149.54 53.75 14.64 31.61 27.52 12.94 13.52 24.70 7.02 0.17 12.36 1.76 5 F H H 107.40 8.37 12.01 21.39 114.95 -83.66 -97.51 126.44 40.86 18.24 40.91 24.92 7.99 8.38 32.72 7.79 0.15 16.24 1.80 6 K H H 121.37 5.13 14.51 20.89 114.09 -154.15 -98.13 124.68 32.40 23.89 43.71 20.45 5.64 6.26 35.90 7.06 0.12 22.94 1.64 7 V H H 67.97 9.67 11.83 22.50 114.99 -154.08 -99.18 127.89 28.13 27.51 44.36 18.21 4.50 5.29 36.97 6.61 0.10 26.55 1.76 8 L H H 85.36 7.58 11.78 20.75 113.46 -156.04 -93.20 128.69 32.24 26.01 41.75 20.60 5.17 6.32 34.60 6.64 0.13 24.53 2.00 9 R C H 145.30 4.72 12.11 18.35 111.23 -145.81 -89.58 121.04 44.46 20.22 35.33 25.76 7.50 11.07 29.43 6.07 0.20 17.67 2.30 10 R C C 153.86 3.96 11.81 17.25 108.08 -143.31 -87.65 86.86 66.03 10.77 23.20 28.65 17.74 19.91 18.82 4.60 0.23 8.15 1.91 11 N C C 102.57 4.48 12.20 18.20 110.89 -13.85 -102.93 105.74 89.25 8.44 2.31 44.42 37.98 7.43 1.05 1.07 0.00 6.89 1.17 12 P C C 73.14 8.15 10.95 20.41 113.04 -150.00 -74.29 144.32 86.99 9.51 3.49 63.52 14.37 8.78 1.13 2.24 0.00 8.86 1.11 13 T C C 85.16 5.41 13.01 20.05 117.51 -149.60 -102.31 133.03 61.05 34.47 4.48 42.05 12.14 7.30 1.74 2.83 0.02 29.76 4.14 14 F C E 103.06 9.22 11.13 21.51 117.46 -157.40 -104.63 130.00 53.11 43.09 3.80 37.43 10.45 5.69 1.62 2.34 0.03 37.64 4.79 15 Y C C 136.48 5.86 13.05 20.48 117.44 -160.88 -103.49 130.22 63.78 33.65 2.56 43.39 15.84 4.85 1.04 1.64 0.01 29.51 3.72 16 N C C 81.55 6.88 11.85 20.25 112.40 -153.32 -108.00 111.76 86.25 12.76 1.00 63.73 20.38 2.05 0.41 0.59 0.00 11.25 1.61 17 P C C 81.00 7.06 11.26 19.88 99.29 -152.55 -67.76 -18.53 78.71 4.78 16.51 37.85 13.53 28.10 6.57 9.25 0.01 3.65 1.04 18 R C C 164.18 2.84 12.17 15.95 102.72 62.15 -86.44 2.78 70.80 8.09 21.11 28.77 15.40 28.05 9.26 10.84 0.05 5.53 2.10 19 S C C 61.84 6.54 10.69 18.60 108.97 77.73 -92.21 93.17 64.64 12.08 23.28 37.73 14.39 13.21 11.69 11.42 0.09 8.30 3.15 20 A C C 72.55 5.31 11.71 18.29 104.60 -138.31 -83.15 39.82 63.22 10.22 26.56 29.56 13.61 20.91 18.91 7.39 0.15 7.19 2.29 21 G C C 44.52 6.09 13.78 20.81 105.72 47.77 -67.39 -15.77 61.00 9.65 29.35 24.91 14.79 22.07 22.55 6.56 0.18 7.28 1.65 22 M C H 101.07 7.51 13.71 22.09 111.42 57.60 -90.76 119.37 46.24 17.87 35.89 26.81 10.71 9.45 29.64 5.84 0.15 15.59 1.82 23 V H E 72.65 8.90 14.82 24.50 117.37 -158.29 -98.29 132.73 27.83 35.58 36.59 17.63 5.20 5.25 32.12 4.60 0.12 33.00 2.07 24 A E E 46.40 10.64 15.41 26.61 113.31 -140.72 -91.83 131.21 18.83 40.84 40.33 12.01 3.06 3.61 36.82 4.13 0.06 38.84 1.47 25 L H E 70.84 10.25 16.38 27.06 114.50 -148.66 -95.16 133.91 16.42 41.15 42.43 9.58 2.93 4.04 38.19 4.73 0.09 39.16 1.29 26 S H E 44.91 9.66 16.66 26.94 112.37 -133.63 -84.60 139.68 20.52 38.03 41.46 11.49 3.79 5.65 35.94 5.47 0.14 36.09 1.43 27 Y H H 98.62 10.33 15.81 26.38 99.06 -111.47 -72.25 -33.99 24.35 32.35 43.30 12.51 5.07 7.97 36.89 6.03 0.33 29.26 1.93 28 F H H 102.96 8.56 15.89 24.78 97.39 49.59 -73.40 -33.95 31.37 22.81 45.82 11.93 6.32 14.24 38.60 6.20 0.75 19.88 2.10 29 A H H 56.27 7.85 15.59 24.06 98.23 44.29 -72.50 -31.87 40.66 13.23 46.11 12.71 7.84 20.61 38.85 6.28 0.67 11.37 1.68 30 Y H H 113.47 8.22 15.35 24.14 101.25 42.86 -88.01 -23.95 39.87 18.69 41.44 12.17 8.40 19.89 34.42 6.44 0.98 15.34 2.37 31 S H H 46.70 10.08 15.54 26.04 102.09 50.93 -83.88 -18.51 34.92 26.79 38.29 14.94 6.99 13.79 32.45 6.04 0.48 23.18 2.14 32 Y H H 98.99 9.18 16.38 26.16 103.22 58.74 -85.67 -21.96 24.78 37.51 37.71 13.71 4.96 6.97 33.20 5.52 0.26 33.15 2.23 33 Y E E 86.41 10.68 16.84 27.98 107.47 52.25 -89.47 54.41 19.81 42.47 37.73 11.79 3.56 4.85 34.44 4.84 0.13 38.50 1.88 34 V H H 47.54 12.92 15.17 28.44 105.88 75.97 -87.56 7.73 18.72 36.21 45.07 10.85 3.61 5.27 38.00 7.03 0.15 33.52 1.57 35 N H H 71.26 8.50 16.10 25.40 104.66 56.26 -87.28 21.31 25.90 29.63 44.47 13.42 5.10 8.76 34.81 9.11 0.28 26.72 1.81 36 K H H 103.33 7.65 14.97 23.45 102.65 59.71 -83.76 -1.97 36.06 21.32 42.62 15.46 7.61 14.72 31.21 10.27 0.57 17.86 2.30 37 Y C H 113.76 8.52 13.23 22.65 103.40 75.24 -87.98 -0.02 49.25 19.92 30.84 21.96 11.37 17.77 23.03 7.01 0.42 15.47 2.98 38 Y C C 124.93 7.18 11.96 20.32 108.22 56.41 -96.14 66.40 70.33 13.49 16.18 37.60 17.98 15.38 12.01 4.17 0.08 10.16 2.63 39 K C C 120.09 4.67 11.93 18.23 117.27 115.05 -98.52 134.45 88.42 7.44 4.14 52.92 31.13 4.85 2.65 1.49 0.00 5.20 1.75 40 P C C 88.59 5.14 11.33 18.10 109.07 -103.51 -68.21 140.08 83.38 3.41 13.22 52.07 14.29 17.23 6.23 6.87 0.00 2.25 1.06 41 Q C C 117.44 5.04 10.11 16.80 107.34 -149.88 -84.18 99.27 76.21 4.96 18.82 42.58 14.79 19.41 8.64 9.83 0.01 2.92 1.82 42 N C C 108.88 3.85 11.67 16.95 107.00 87.37 -91.78 79.36 74.40 5.29 20.30 44.67 14.32 15.79 10.14 9.99 0.01 3.25 1.82 43 S C C 60.54 7.60 10.38 19.24 112.48 152.05 -91.91 125.68 71.88 7.02 21.09 44.92 14.40 12.86 12.27 8.81 0.02 4.53 2.20 44 N C C 92.11 5.28 12.87 19.48 107.94 -161.62 -93.21 93.42 72.13 6.75 21.12 48.88 11.49 11.35 14.53 7.13 0.01 4.51 2.09 45 F C C 101.21 9.49 10.60 20.88 99.24 133.52 -78.44 -21.11 48.52 7.32 44.16 29.57 9.23 10.41 29.37 14.44 0.09 4.88 2.00 46 E H H 119.88 3.61 13.31 18.21 98.55 74.25 -70.54 -32.77 44.08 8.13 47.79 23.42 9.23 12.34 30.60 16.65 0.16 5.85 1.76 47 E H H 115.70 4.03 13.27 18.47 98.27 57.15 -77.54 -22.33 42.74 9.67 47.59 24.20 8.09 11.13 30.61 16.70 0.14 7.18 1.96 48 Y C C 109.11 8.95 10.53 20.39 101.63 62.27 -83.07 -6.57 49.36 9.63 41.01 28.53 10.00 12.01 28.21 11.94 0.15 6.65 2.50 49 N C C 97.20 5.62 11.64 18.68 103.51 71.84 -88.59 22.05 65.47 7.11 27.43 38.33 13.75 13.99 20.60 6.57 0.05 4.56 2.16 50 S C C 70.12 3.96 11.32 16.91 114.86 122.64 -90.27 140.21 79.51 5.27 15.22 44.63 23.81 11.36 11.00 4.27 0.02 3.25 1.66 51 S C C 80.82 3.34 11.39 16.38 110.46 -104.35 -80.72 132.66 85.74 4.51 9.74 57.44 18.30 9.91 6.50 3.38 0.00 2.67 1.79 52 H C C 101.73 6.81 8.84 17.23 115.64 -132.73 -96.66 133.04 91.63 2.77 5.60 69.40 19.22 2.84 4.54 1.32 0.00 1.27 1.42 53 P C C 92.73 3.41 11.39 16.35 104.80 -120.79 -67.53 91.39 69.68 1.75 28.56 45.99 8.62 14.91 20.97 7.75 0.00 0.95 0.80 54 H C H 133.15 3.35 10.62 15.41 104.53 51.92 -83.13 -1.38 58.62 1.90 39.48 24.25 13.85 21.91 28.48 9.54 0.07 0.95 0.96 55 N C C 92.80 4.23 11.92 17.50 104.10 64.71 -87.02 41.48 56.59 1.92 41.50 33.84 10.06 13.45 32.47 8.28 0.02 0.92 0.96 56 H H H 96.54 6.72 11.39 19.57 97.42 120.19 -71.65 -27.58 37.56 0.91 61.54 24.67 6.40 7.30 57.77 3.07 0.01 0.40 0.37 57 D H H 78.56 4.72 13.84 19.80 95.73 60.91 -66.62 -39.43 22.41 0.43 77.16 14.17 3.66 5.42 74.39 1.99 0.00 0.20 0.16 58 E H H 109.98 2.47 15.24 17.91 93.95 52.39 -67.26 -38.37 6.65 0.19 93.17 3.62 1.13 2.37 91.26 1.46 0.00 0.10 0.05 59 K H H 109.98 3.27 15.97 19.76 92.99 51.80 -66.63 -40.01 3.85 0.16 95.99 2.04 0.59 1.51 94.69 1.03 0.00 0.10 0.04 60 V H H 50.20 7.99 13.82 23.48 92.79 50.78 -65.01 -41.57 2.24 0.09 97.68 1.18 0.32 0.86 97.02 0.56 0.00 0.05 0.02 61 R H H 119.39 3.95 16.62 21.40 92.48 51.33 -64.77 -41.33 1.40 0.05 98.56 0.66 0.17 0.58 98.20 0.35 0.00 0.03 0.01 62 Q H H 98.77 2.04 18.10 19.36 92.00 50.26 -64.70 -41.33 1.53 0.04 98.42 0.58 0.17 0.77 98.10 0.33 0.00 0.02 0.01 63 Y H H 103.55 4.66 16.92 22.45 92.46 49.69 -65.03 -41.85 1.53 0.04 98.43 0.53 0.17 0.82 98.17 0.28 0.00 0.02 0.01 64 H H H 76.82 7.39 15.42 24.15 92.40 49.89 -65.28 -41.36 1.42 0.03 98.56 0.48 0.17 0.74 98.40 0.19 0.00 0.01 0.00 65 E H H 101.08 2.98 17.90 21.00 92.23 50.56 -64.74 -41.36 1.22 0.02 98.76 0.39 0.14 0.63 98.68 0.15 0.00 0.01 0.00 66 K H H 120.52 1.90 18.77 19.65 92.35 49.35 -65.50 -40.96 1.19 0.01 98.80 0.33 0.13 0.65 98.74 0.14 0.00 0.01 0.00 67 T H H 53.33 6.01 16.41 23.67 92.41 49.05 -65.56 -41.54 1.06 0.01 98.93 0.28 0.11 0.58 98.90 0.13 0.00 0.00 0.00 68 N H H 67.40 6.24 16.55 24.04 92.14 51.02 -64.51 -40.90 0.96 0.00 99.04 0.25 0.08 0.52 99.00 0.13 0.00 0.00 0.00 69 Q H H 99.19 2.21 18.55 20.12 91.84 50.51 -64.57 -41.11 0.79 0.00 99.21 0.18 0.07 0.45 99.18 0.12 0.00 0.00 0.00 70 A H H 54.81 3.07 18.02 21.15 92.14 50.52 -64.59 -41.39 0.93 0.00 99.07 0.21 0.07 0.53 99.07 0.11 0.00 0.00 0.00 71 I H H 70.60 6.56 16.07 23.79 92.42 49.27 -64.69 -41.76 0.73 0.00 99.27 0.20 0.06 0.38 99.28 0.09 0.00 0.00 0.00 72 R H H 121.46 3.89 17.46 22.08 91.97 50.56 -63.85 -41.62 0.47 0.00 99.53 0.12 0.04 0.24 99.55 0.06 0.00 0.00 0.00 73 D H H 83.77 1.88 18.69 19.44 92.04 49.83 -64.71 -40.96 0.52 0.00 99.47 0.11 0.04 0.29 99.50 0.06 0.00 0.00 0.00 74 A H H 48.45 3.81 17.11 21.69 91.96 50.51 -64.78 -41.16 0.57 0.00 99.43 0.11 0.05 0.33 99.44 0.07 0.00 0.00 0.00 75 V H H 58.88 5.89 15.59 22.92 92.25 49.67 -64.63 -42.17 0.52 0.00 99.48 0.11 0.05 0.29 99.49 0.06 0.00 0.00 0.00 76 L H H 89.38 2.54 17.23 19.75 91.59 49.99 -64.26 -41.31 0.56 0.00 99.43 0.13 0.05 0.31 99.44 0.08 0.00 0.00 0.00 77 E H H 110.49 1.70 17.68 18.34 92.00 49.94 -64.73 -41.15 0.87 0.00 99.12 0.17 0.07 0.52 99.12 0.11 0.00 0.00 0.00 78 K H H 101.16 3.97 16.27 20.86 92.17 49.79 -65.19 -40.96 1.28 0.01 98.72 0.28 0.11 0.75 98.69 0.16 0.00 0.00 0.00 79 R H H 117.87 4.19 15.86 20.86 92.08 50.66 -64.11 -40.98 1.63 0.01 98.35 0.46 0.16 0.88 98.28 0.20 0.00 0.01 0.00 80 A H H 57.40 2.01 16.65 18.28 91.69 50.38 -63.95 -41.37 2.32 0.02 97.66 0.73 0.24 1.20 97.54 0.28 0.00 0.01 0.00 81 E H H 105.30 1.90 17.05 18.28 91.98 49.69 -64.87 -41.33 2.50 0.03 97.47 0.83 0.27 1.26 97.30 0.32 0.00 0.02 0.01 82 H H H 89.49 3.88 15.02 19.89 92.05 49.61 -64.98 -41.25 2.28 0.04 97.69 0.93 0.26 1.03 97.42 0.33 0.00 0.02 0.01 83 D H H 76.67 2.56 15.59 18.50 91.77 50.74 -64.24 -40.80 1.92 0.04 98.04 0.89 0.21 0.80 97.78 0.29 0.00 0.02 0.01 84 Q H H 100.32 1.58 16.05 16.81 91.84 50.36 -64.61 -40.75 1.67 0.05 98.28 0.73 0.19 0.74 97.98 0.31 0.00 0.03 0.01 85 R H H 123.93 2.32 15.19 17.64 92.14 50.63 -64.96 -41.27 1.85 0.07 98.08 0.77 0.23 0.86 97.70 0.37 0.00 0.05 0.01 86 L H H 84.32 3.01 13.48 17.30 92.07 50.45 -64.86 -40.78 2.22 0.09 97.68 0.99 0.28 1.01 97.15 0.47 0.00 0.07 0.01 87 R H H 137.71 1.47 13.90 15.06 92.06 50.77 -64.84 -40.54 3.12 0.13 96.74 1.29 0.40 1.49 95.96 0.72 0.01 0.11 0.02 88 E H H 111.23 1.51 12.82 14.30 92.27 50.57 -65.58 -40.03 4.98 0.13 94.88 1.62 0.61 2.74 93.68 1.21 0.01 0.10 0.03 89 E H H 118.48 2.05 11.21 13.94 92.60 51.27 -66.99 -36.55 8.90 0.14 90.96 2.11 0.98 5.61 89.32 1.83 0.01 0.09 0.05 90 A H H 77.35 1.79 9.70 12.46 93.08 54.84 -69.49 -29.01 26.62 0.30 73.09 4.64 2.42 19.30 71.15 2.17 0.02 0.15 0.14 91 K C H 158.35 0.98 9.67 10.97 97.13 56.93 -78.69 -11.07 55.22 0.43 44.35 18.50 1.49 33.08 44.50 2.01 0.00 0.17 0.25 92 L C C 115.97 2.83 9.73 14.14 102.78 89.22 -79.25 23.21 99.89 0.03 0.08 99.57 0.13 0.21 0.06 0.01 0.00 0.01 0.01