# 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 109.27 6.63 10.83 19.02 118.17 -156.79 -101.24 132.56 99.75 0.23 0.01 99.74 0.08 0.03 0.00 0.00 0.00 0.13 0.02 1 Q C C 134.16 2.28 10.45 14.30 116.35 -153.05 -99.75 130.57 83.80 12.01 4.19 80.05 1.28 3.03 2.56 1.13 0.00 9.12 2.83 2 F C C 137.08 5.28 7.82 14.81 117.10 -154.85 -99.52 134.22 74.73 16.93 8.33 52.45 14.01 8.05 5.11 3.35 0.02 14.10 2.89 3 S C C 79.11 2.85 10.66 15.16 118.60 -158.18 -106.05 139.11 72.79 17.36 9.84 54.11 12.21 5.79 6.79 3.29 0.02 15.54 2.25 4 A C C 77.65 4.79 9.69 16.18 114.52 -119.29 -85.69 136.99 65.18 18.34 16.48 49.39 9.76 4.92 13.17 3.86 0.03 16.79 2.08 5 V C C 96.83 5.06 9.96 16.81 117.29 -151.96 -101.12 134.55 62.31 19.26 18.43 48.20 8.35 4.27 15.37 3.74 0.03 18.07 1.96 6 R C C 164.14 3.06 11.30 15.96 116.39 -143.91 -95.95 131.93 57.27 23.35 19.37 45.34 6.13 3.98 16.39 3.80 0.03 22.02 2.32 7 I C C 106.14 5.91 9.30 16.83 116.48 -145.90 -97.69 131.58 57.54 20.96 21.50 45.83 5.92 4.09 18.66 3.81 0.03 19.12 2.53 8 A C C 73.95 4.54 10.07 16.25 114.56 -140.54 -91.31 133.55 64.95 12.67 22.38 48.43 9.10 6.03 19.82 3.82 0.02 11.00 1.77 9 T C C 100.28 3.15 10.66 15.44 114.61 -151.08 -98.63 130.17 64.87 10.87 24.26 42.30 13.87 8.22 20.46 4.63 0.05 8.72 1.76 10 S C C 79.20 3.85 10.31 15.72 114.09 -130.75 -92.87 129.35 69.73 9.72 20.55 49.88 10.79 8.05 17.05 4.57 0.03 7.84 1.80 11 V C C 98.07 5.34 9.15 16.20 115.44 -157.63 -98.71 130.55 69.85 12.53 17.62 51.30 9.59 7.81 14.44 4.28 0.03 9.82 2.74 12 R C C 158.49 3.41 10.54 15.55 115.41 -148.01 -92.49 132.78 73.30 12.65 14.05 51.89 11.77 8.67 11.43 3.64 0.03 9.77 2.79 13 A C C 78.09 4.35 10.01 16.08 115.09 -130.76 -87.75 135.81 76.49 12.29 11.21 54.29 15.19 6.35 9.30 2.80 0.03 9.16 2.87 14 T C C 88.75 4.59 10.61 16.92 117.89 -139.37 -98.31 136.71 80.27 9.36 10.37 62.37 14.67 2.77 9.65 1.57 0.01 7.22 1.75 15 P C C 92.58 4.61 10.93 17.19 112.65 -108.29 -69.05 144.75 70.34 11.42 18.25 58.85 5.88 4.39 16.10 3.19 0.01 9.46 2.12 16 V C C 97.96 5.15 10.13 17.03 114.69 -135.18 -90.65 135.45 59.98 13.48 26.55 45.33 8.32 5.65 22.30 4.97 0.05 10.40 2.98 17 R C C 158.24 3.21 11.79 16.55 112.52 -136.08 -92.40 128.95 55.69 13.59 30.72 40.98 8.39 6.17 25.09 5.92 0.07 10.51 2.86 18 A C C 68.09 6.13 10.04 17.71 110.36 -118.66 -81.81 129.94 59.82 8.97 31.21 45.16 7.55 7.00 24.42 6.99 0.04 6.67 2.17 19 A C C 68.69 5.15 10.46 17.29 113.15 -121.17 -83.99 139.08 67.58 6.23 26.19 46.74 10.30 10.12 20.59 6.15 0.03 4.14 1.93 20 K C C 151.64 2.37 11.94 15.61 109.86 -114.33 -84.22 130.11 75.70 5.15 19.14 49.80 14.21 11.45 14.28 5.20 0.02 2.96 2.08 21 A C C 65.86 6.25 9.14 17.03 116.44 -117.33 -84.00 145.39 87.82 3.54 8.64 62.37 19.73 5.71 6.17 2.49 0.00 1.69 1.84 22 E C C 135.85 2.88 11.90 16.34 114.42 -109.08 -80.38 139.26 94.61 2.03 3.35 80.95 11.03 2.75 2.08 1.13 0.00 1.04 1.02 23 P C C 89.14 5.87 9.71 17.39 112.78 -104.96 -69.09 146.28 94.73 2.09 3.17 88.01 4.00 2.85 1.78 1.16 0.00 0.97 1.23 24 E C C 133.04 3.71 10.57 16.23 112.28 -115.23 -78.92 137.27 96.03 2.02 1.95 86.82 6.70 2.39 0.98 0.87 0.00 0.84 1.41 25 T C C 100.83 2.91 11.98 16.63 116.36 -121.08 -91.97 131.97 98.73 1.08 0.19 86.46 11.85 0.41 0.08 0.09 0.00 0.40 0.71 26 P C C 80.18 6.70 11.20 19.65 117.06 -105.80 -69.20 149.76 99.52 0.41 0.06 94.04 5.30 0.23 0.02 0.03 0.00 0.15 0.23 27 P C C 76.38 7.13 12.78 21.34 114.82 -99.89 -65.83 150.02 99.52 0.34 0.14 96.63 2.55 0.42 0.04 0.07 0.00 0.15 0.14 28 P C C 87.64 6.70 14.06 22.09 110.88 -100.61 -67.73 145.41 96.98 2.36 0.67 85.45 8.78 2.68 0.15 0.50 0.00 1.04 1.40 29 V C C 87.61 8.22 15.27 24.32 110.26 -135.38 -93.42 119.43 86.56 12.44 1.00 59.28 23.09 3.93 0.29 0.75 0.00 4.65 8.00 30 G C C 25.17 12.64 15.96 28.50 131.89 75.89 111.88 170.39 94.14 5.61 0.25 51.75 41.29 1.80 0.06 0.20 0.00 3.12 1.79 31 P C C 38.64 15.70 14.37 30.15 116.97 -73.18 -72.11 152.90 96.51 3.29 0.20 89.55 6.38 0.60 0.06 0.13 0.00 1.46 1.82 32 K C C 130.42 3.26 20.76 24.55 121.67 -119.51 -88.18 150.23 98.18 1.49 0.34 95.10 2.22 0.76 0.11 0.16 0.00 0.51 1.13 33 R C T 133.03 9.24 14.01 24.31 110.90 -88.09 -61.19 136.86 98.68 0.97 0.35 1.32 3.63 94.01 0.03 0.25 0.00 0.54 0.22 34 G C T 43.10 4.59 18.72 24.30 96.65 25.44 88.77 -6.49 99.19 0.67 0.14 2.15 4.03 93.12 0.01 0.15 0.00 0.51 0.04 35 S C C 27.08 12.39 15.09 29.08 118.21 134.96 -72.57 148.57 90.56 9.40 0.04 88.58 1.90 0.09 0.00 0.03 0.00 9.07 0.33 36 R E E 115.06 8.52 21.90 30.97 120.00 -130.26 -99.75 136.28 4.38 95.59 0.03 4.23 0.23 0.03 0.01 0.02 0.00 94.41 1.07 37 V E E 10.79 23.07 15.99 39.46 128.20 -169.25 -124.59 146.41 3.38 96.57 0.05 3.08 0.22 0.05 0.01 0.03 0.00 96.52 0.09 38 K E E 81.57 8.85 24.54 33.98 118.13 -137.56 -104.61 131.18 4.24 95.50 0.26 3.66 0.50 0.16 0.04 0.17 0.00 95.30 0.15 39 I E E 20.11 20.94 14.94 36.17 110.52 -129.54 -86.97 121.95 14.93 84.77 0.30 13.35 1.33 0.27 0.06 0.23 0.00 83.82 0.94 40 L C C 68.93 8.80 19.84 29.67 98.52 -176.22 -86.13 -28.35 82.14 17.60 0.25 44.80 35.59 1.76 0.03 0.27 0.00 16.79 0.75 41 R C S 86.19 8.48 17.22 26.82 124.92 34.35 -126.51 129.22 90.39 7.39 2.23 25.15 59.40 6.20 0.78 1.21 0.01 5.00 2.24 42 P C T 84.70 8.06 15.43 24.71 93.49 -137.21 -62.38 -27.18 85.29 0.82 13.90 5.07 10.98 67.94 2.09 12.99 0.01 0.49 0.43 43 E C T 121.92 4.43 18.42 23.42 93.71 58.41 -84.40 -4.05 81.52 0.84 17.64 5.41 9.84 64.85 3.05 15.85 0.01 0.50 0.49 44 S C C 18.31 16.95 13.13 30.48 109.25 97.21 -81.70 120.43 72.75 5.52 21.73 39.91 20.13 12.59 4.62 17.17 0.04 2.83 2.71 45 Y C T 84.16 11.81 19.93 32.13 97.02 -153.21 -72.04 -1.19 65.94 9.44 24.63 25.47 16.16 26.14 5.95 16.92 0.17 5.22 3.97 46 W C T 46.49 18.08 17.87 35.52 96.44 91.12 -77.51 -18.01 62.81 11.69 25.51 15.60 16.44 32.44 5.92 17.86 0.31 7.30 4.15 47 Y C T 57.63 16.21 16.71 32.50 105.11 57.79 -91.35 58.28 63.82 11.59 24.59 24.02 16.52 25.75 5.91 16.85 0.14 7.34 3.49 48 N C C 94.53 7.03 20.32 27.72 99.18 69.44 -88.83 9.69 74.42 11.69 13.90 33.96 23.84 18.27 4.57 8.47 0.06 8.37 2.47 49 R C S 111.25 8.04 19.96 28.46 125.46 73.58 -113.76 151.44 69.56 25.29 5.15 29.73 29.89 11.15 1.86 3.02 0.03 22.01 2.30 50 A E E 50.07 12.21 18.60 30.77 120.37 -117.02 -93.61 142.75 43.15 54.84 2.02 33.85 6.96 2.18 1.02 1.01 0.00 53.40 1.58 51 G E E 12.96 15.14 19.18 34.51 140.83 164.58 -156.21 173.99 16.63 82.16 1.21 13.43 2.41 0.66 0.81 0.41 0.00 81.60 0.68 52 K E E 88.59 9.52 24.22 34.26 124.02 -91.35 -113.01 141.76 5.52 93.72 0.76 4.57 0.55 0.16 0.63 0.17 0.00 93.54 0.37 53 V E E 18.83 22.17 17.75 39.56 110.57 -135.43 -88.91 121.85 6.37 91.33 2.29 4.69 1.02 0.42 1.57 0.64 0.00 91.46 0.21 54 V E E 32.29 15.13 21.23 36.40 129.17 2.22 -128.03 146.64 7.44 90.27 2.30 5.25 1.29 0.58 1.35 0.63 0.00 90.63 0.27 55 S E E 40.97 11.39 22.44 34.04 125.33 -139.53 -117.46 142.88 12.74 85.09 2.17 9.99 1.73 0.70 1.07 0.79 0.00 85.17 0.55 56 C E E 28.63 17.48 14.74 32.04 118.28 -157.43 -109.49 132.50 31.67 64.10 4.23 24.91 5.65 2.18 2.25 1.92 0.01 61.19 1.90 57 D C C 80.12 6.64 16.86 24.46 108.43 -152.23 -93.34 105.28 59.18 37.20 3.63 44.80 10.40 3.98 1.25 2.13 0.00 35.78 1.66 58 Q C C 103.15 7.62 12.14 20.93 102.53 154.77 -90.51 18.61 63.20 29.76 7.04 33.67 18.07 14.62 1.96 4.73 0.07 22.97 3.92 59 T C T 100.37 2.80 13.43 17.20 101.22 62.55 -85.30 41.51 89.82 5.84 4.35 18.85 19.11 52.30 0.87 3.26 0.01 4.34 1.28 60 G C T 58.27 2.22 14.39 17.18 97.28 -70.87 81.27 3.69 95.64 2.34 2.02 20.03 24.01 51.52 0.22 1.99 0.00 1.79 0.44 61 I C C 59.48 11.66 10.11 22.72 118.43 122.12 -97.64 135.52 73.75 24.54 1.70 46.44 18.21 9.52 0.40 1.59 0.00 18.54 5.29 62 K C C 130.22 5.14 17.60 23.71 102.48 -155.29 -90.83 -3.12 64.27 34.93 0.79 41.07 19.96 4.55 0.20 0.79 0.00 27.42 6.00 63 Y C C 73.01 12.57 17.05 30.10 123.55 56.53 -121.00 137.85 71.98 27.81 0.21 40.30 31.25 1.51 0.04 0.20 0.00 24.96 1.74 64 P C C 48.17 12.02 20.16 32.45 113.80 -109.91 -70.79 145.73 68.27 31.60 0.13 56.09 9.64 0.70 0.02 0.13 0.00 32.63 0.80 65 V E E 14.19 21.44 17.61 39.08 125.05 -162.03 -121.02 135.10 12.34 87.58 0.09 10.38 1.92 0.20 0.03 0.05 0.00 86.33 1.08 66 T E E 42.79 11.57 24.71 36.74 117.66 -151.70 -106.71 126.84 6.10 93.85 0.06 5.21 0.82 0.10 0.02 0.04 0.00 93.40 0.41 67 V E E 11.66 22.87 17.97 41.00 121.06 -166.73 -114.81 130.60 10.03 89.84 0.13 8.67 1.21 0.17 0.05 0.06 0.00 89.41 0.42 68 R E E 94.18 9.17 24.32 33.91 117.46 -157.84 -104.74 126.92 26.19 73.57 0.24 22.36 2.86 0.44 0.06 0.16 0.00 73.43 0.70 69 F C C 26.85 21.04 13.14 33.73 117.98 -163.88 -102.70 130.05 59.13 39.22 1.66 52.89 4.01 1.35 0.42 1.18 0.00 38.17 1.97 70 E C S 121.34 4.33 19.60 24.57 98.85 -157.09 -81.67 -25.16 77.92 20.07 2.01 26.78 35.49 16.38 0.26 1.76 0.01 17.99 1.33 71 D C S 88.20 4.61 18.89 24.10 124.62 13.15 -126.59 136.59 73.79 24.10 2.11 27.76 30.24 17.44 0.26 1.92 0.01 20.64 1.74 72 V C C 50.10 17.62 11.11 27.67 117.51 -157.19 -106.13 129.49 68.25 29.59 2.16 51.97 11.78 4.39 0.56 1.76 0.00 25.77 3.77 73 N C C 97.42 4.69 18.56 23.98 109.71 -164.71 -108.61 97.15 71.08 27.39 1.53 52.40 12.54 6.17 0.33 1.34 0.00 24.04 3.16 74 Y C C 85.83 13.67 11.86 25.53 111.08 161.07 -111.82 82.75 66.37 31.09 2.54 49.23 11.25 5.20 0.76 2.04 0.01 24.91 6.62 75 A C T 75.82 4.65 14.53 20.89 112.49 138.22 -78.40 130.92 69.77 27.18 3.05 20.57 15.35 36.15 0.66 2.26 0.02 21.54 3.44 76 G C T 57.78 2.26 16.81 19.48 97.72 13.35 79.08 4.01 81.32 16.43 2.24 16.75 26.10 39.27 0.30 1.85 0.01 14.25 1.47 77 V C C 50.24 14.31 10.64 25.15 118.75 126.75 -95.14 135.90 68.65 28.90 2.45 52.22 11.93 3.30 1.08 1.66 0.02 20.13 9.66 78 S C C 57.04 5.98 18.84 25.40 118.54 -147.79 -98.21 143.73 75.12 20.95 3.93 62.91 7.14 3.84 1.71 2.31 0.00 15.14 6.94 79 T C C 58.15 15.29 13.67 28.34 97.95 -134.87 -79.45 -9.46 64.44 7.14 28.42 26.41 15.03 25.68 5.39 20.76 0.06 4.34 2.33 80 N C T 98.80 6.01 18.79 25.60 97.29 69.65 -82.53 -7.09 67.09 3.81 29.10 15.75 16.65 36.03 5.99 21.61 0.09 2.20 1.68 81 N C C 77.62 9.04 19.03 28.53 101.79 57.50 -96.13 15.64 64.83 5.82 29.35 27.61 15.99 23.43 5.58 21.92 0.06 3.19 2.22 82 F C C 35.08 19.77 15.06 34.42 121.65 99.96 -105.90 139.24 76.16 16.33 7.50 57.13 12.56 4.95 3.95 3.68 0.05 7.43 10.25 83 G C C 14.71 11.33 21.83 33.93 128.56 -161.61 -118.66 161.97 87.48 7.75 4.77 81.07 5.12 1.59 2.38 2.16 0.00 4.72 2.96 84 L H G 65.98 16.00 16.19 31.64 92.88 -103.63 -63.33 -29.27 8.92 0.83 90.25 1.52 1.38 5.59 1.65 89.03 0.00 0.80 0.03 85 Q H G 126.70 2.91 21.44 24.68 91.56 63.97 -71.91 -16.58 8.74 1.07 90.19 0.96 1.22 6.13 1.31 89.24 0.00 1.11 0.03 86 E H G 47.30 14.73 16.73 31.89 95.73 60.23 -89.86 -6.12 9.41 1.25 89.34 1.88 1.68 5.18 0.94 88.97 0.00 1.33 0.03 87 V E E 17.37 23.06 12.00 34.50 120.16 89.77 -100.73 134.56 15.98 82.85 1.17 13.71 2.73 0.52 0.37 0.71 0.00 81.04 0.92 88 E E E 98.59 6.00 20.31 27.21 124.06 -167.04 -120.34 139.18 4.33 95.47 0.20 3.75 0.44 0.12 0.09 0.09 0.00 95.21 0.30 89 E E E 113.79 8.43 14.22 23.99 113.24 -114.25 -77.57 132.63 7.74 92.07 0.18 7.50 0.32 0.11 0.08 0.09 0.00 91.15 0.75 90 L C C 83.94 10.21 12.94 23.77 109.79 -157.27 -90.86 114.13 99.13 0.86 0.01 99.14 0.09 0.03 0.00 0.00 0.00 0.72 0.02