# 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 106.60 7.16 10.72 19.12 115.40 -151.29 -92.44 133.44 99.75 0.22 0.04 99.61 0.18 0.05 0.02 0.00 0.00 0.09 0.05 1 Q C C 104.00 4.23 10.49 16.45 114.43 -137.75 -90.56 130.98 93.81 0.69 5.49 92.23 0.87 0.89 5.11 0.29 0.00 0.24 0.36 2 P H H 88.40 3.40 10.88 15.91 96.74 -124.62 -62.38 -33.35 41.93 1.01 57.06 25.11 4.89 12.53 46.62 9.86 0.01 0.55 0.44 3 A H H 58.42 5.25 9.85 16.74 94.49 57.79 -69.60 -29.03 26.71 1.10 72.19 13.33 4.22 9.70 55.56 16.11 0.03 0.69 0.35 4 A H H 61.53 4.51 10.83 17.08 94.16 64.26 -66.69 -33.50 16.49 1.60 81.91 8.21 3.05 5.65 60.73 20.79 0.05 1.19 0.33 5 R H H 154.81 2.24 12.08 15.21 94.51 56.47 -71.80 -29.51 18.72 2.50 78.79 9.62 3.32 6.45 60.42 17.69 0.06 1.93 0.50 6 L H H 105.43 3.76 11.01 16.12 96.68 56.64 -78.94 -20.56 28.18 3.35 68.47 13.87 5.60 10.61 54.41 12.16 0.14 2.23 0.98 7 L H H 98.57 5.81 10.41 17.73 103.78 69.70 -83.37 27.16 44.86 2.85 52.29 20.40 9.98 16.42 43.07 7.35 0.13 1.53 1.12 8 S C C 77.77 3.32 12.34 17.14 108.07 104.42 -84.16 104.41 62.66 3.21 34.12 32.86 11.94 17.99 27.97 6.21 0.05 1.84 1.13 9 R C C 140.09 5.55 10.82 17.97 111.61 115.19 -87.69 124.08 65.15 5.88 28.97 41.83 12.04 10.87 22.54 6.97 0.04 3.27 2.43 10 S C C 57.37 6.82 11.22 19.49 117.57 -141.13 -89.68 149.20 64.39 7.08 28.53 50.11 6.87 6.93 18.56 10.30 0.01 4.23 3.00 11 V C T 101.79 5.14 12.72 19.29 97.25 -132.02 -75.15 -18.42 54.85 5.47 39.67 15.18 12.96 27.84 17.93 20.24 0.37 3.28 2.21 12 W C T 151.69 6.11 12.48 19.80 101.48 63.89 -86.98 13.89 58.62 6.84 34.53 15.65 12.60 31.33 15.26 18.18 0.31 4.28 2.38 13 K C C 123.83 5.60 13.49 20.57 107.09 97.43 -87.84 77.90 68.42 8.85 22.73 30.97 21.71 17.09 11.29 10.46 0.18 4.60 3.71 14 G C C 30.41 7.95 14.52 23.70 130.37 22.25 131.13 -177.27 92.79 6.07 1.13 52.49 34.03 6.75 0.26 0.93 0.00 3.77 1.77 15 P C C 77.75 7.70 15.35 23.87 105.95 -44.48 -72.24 115.66 93.31 5.67 1.02 37.75 35.16 20.71 0.14 0.97 0.00 4.56 0.70 16 N C E 71.61 10.82 15.84 27.04 111.76 64.28 -98.08 114.68 49.53 48.47 2.00 27.34 13.15 12.21 0.53 1.65 0.01 41.60 3.51 17 I E E 69.52 13.34 13.89 27.52 121.15 85.98 -109.48 132.00 27.20 72.12 0.68 21.28 3.92 0.70 0.42 0.39 0.00 57.53 15.75 18 V C C 59.39 9.56 15.17 26.31 119.72 -162.44 -112.72 130.91 60.71 39.04 0.24 54.68 4.32 0.40 0.09 0.15 0.00 38.38 1.98 19 P C C 87.33 5.45 16.76 23.60 112.80 -114.17 -69.48 140.47 79.85 18.92 1.22 62.37 14.36 2.34 0.51 0.69 0.00 18.31 1.42 20 L C C 64.51 13.29 10.31 23.83 116.73 -121.77 -88.79 137.28 85.19 5.27 9.54 61.28 18.35 5.78 6.36 3.25 0.01 3.54 1.44 21 P C C 86.95 4.04 16.03 20.90 107.84 -108.16 -71.16 126.81 84.36 3.85 11.79 71.00 7.71 5.82 7.66 3.96 0.00 2.72 1.13 22 I C C 81.45 10.82 10.06 21.43 111.73 -151.69 -91.18 121.35 67.26 8.29 24.45 54.43 7.30 5.30 17.84 6.90 0.02 5.23 2.99 23 R C C 145.86 4.56 12.94 18.98 111.73 -149.31 -91.21 127.65 63.18 6.52 30.30 49.98 7.39 5.77 22.84 7.62 0.01 4.59 1.78 24 E C C 124.97 3.78 13.94 19.07 113.66 -104.85 -86.78 131.66 59.07 6.22 34.71 44.71 7.62 6.80 25.58 9.23 0.02 4.51 1.53 25 A C C 58.66 8.11 11.81 21.21 112.08 -110.74 -77.72 134.70 60.85 5.64 33.50 46.72 6.53 7.44 24.75 9.00 0.02 3.98 1.56 26 M C C 86.87 9.77 9.71 20.36 114.10 -131.68 -88.18 134.29 66.06 4.80 29.14 48.22 8.86 8.64 21.58 7.97 0.01 2.98 1.73 27 T C C 97.07 3.16 12.70 17.26 109.70 -132.70 -90.06 120.06 73.56 4.59 21.85 47.45 11.94 13.85 15.67 6.50 0.02 2.71 1.85 28 K C C 154.12 2.35 12.25 15.96 107.85 -72.16 -85.68 111.91 84.48 2.65 12.87 35.38 21.89 27.96 7.47 4.77 0.01 1.40 1.12 29 G C C 49.93 3.76 13.11 18.35 111.42 15.89 89.29 -81.71 95.94 2.16 1.90 41.82 33.23 21.14 0.38 1.47 0.00 1.34 0.62 30 T C C 79.32 4.99 15.37 21.79 117.25 24.84 -93.76 134.52 93.53 6.31 0.16 69.22 23.94 0.74 0.04 0.13 0.00 5.01 0.91 31 P C C 60.81 11.71 15.16 27.50 115.44 -112.53 -68.61 146.99 86.28 13.60 0.11 78.82 6.32 0.46 0.02 0.09 0.00 13.31 0.98 32 I E E 27.76 19.33 14.43 33.96 117.14 -132.49 -99.48 129.93 23.80 76.09 0.11 21.96 0.99 0.09 0.08 0.05 0.00 66.65 10.18 33 R E E 132.38 6.06 23.12 30.15 116.28 -141.63 -93.03 131.88 27.62 72.25 0.13 26.21 1.07 0.11 0.08 0.07 0.00 66.95 5.51 34 T C C 19.66 21.80 11.89 32.73 125.21 -167.95 -115.46 148.78 73.54 24.68 1.78 63.33 7.14 2.05 0.41 1.37 0.00 22.59 3.11 35 N C C 98.14 5.02 21.70 27.17 97.06 -153.10 -89.28 -10.15 85.59 6.75 7.67 38.66 36.11 11.51 1.47 5.96 0.00 4.35 1.93 36 A C S 29.50 15.68 15.27 30.70 108.72 73.69 -90.77 101.43 74.51 2.97 22.52 26.02 26.61 22.37 2.54 19.63 0.01 1.57 1.25 37 R C T 135.94 8.35 18.28 27.35 98.82 -150.82 -73.38 -20.56 72.89 3.15 23.96 17.41 21.80 34.21 2.30 21.33 0.01 1.86 1.09 38 A C C 67.61 5.44 21.69 27.30 100.53 36.82 -91.05 16.21 70.56 6.47 22.97 29.87 15.39 26.47 1.97 20.64 0.01 4.41 1.24 39 A C C 14.73 19.89 13.88 33.79 122.07 131.20 -87.86 149.51 80.90 17.67 1.44 69.99 9.28 1.11 0.25 1.17 0.00 17.20 0.99 40 T E E 59.31 8.10 25.28 34.04 120.14 -135.13 -104.49 133.21 16.97 82.84 0.20 15.31 1.18 0.15 0.10 0.12 0.00 76.76 6.38 41 I E E 18.20 23.46 15.47 39.12 116.85 -150.48 -101.14 126.33 14.85 85.12 0.03 14.54 0.37 0.01 0.02 0.01 0.00 71.07 13.97 42 L C C 46.89 10.26 20.19 31.62 113.40 -129.94 -76.74 134.45 99.05 0.94 0.01 99.11 0.23 0.01 0.00 0.00 0.00 0.59 0.05 43 P H G 65.04 10.76 16.39 28.16 91.08 -122.06 -58.91 -31.56 11.13 0.20 88.68 0.98 1.00 7.54 0.62 89.70 0.00 0.16 0.01 44 Q H G 113.12 4.66 20.61 26.27 89.25 65.29 -67.90 -16.60 10.06 0.11 89.83 0.32 0.59 8.00 0.44 90.57 0.00 0.08 0.01 45 F H G 16.54 21.03 14.31 35.90 94.17 58.28 -94.44 -6.16 11.08 0.18 88.73 1.51 1.17 6.48 0.60 90.09 0.00 0.13 0.01 46 V C T 52.54 14.83 15.41 30.71 112.54 114.85 -62.76 132.38 97.61 1.41 0.98 0.64 1.53 96.11 0.13 0.45 0.00 0.54 0.61 47 G C T 43.57 4.10 21.75 26.61 93.80 23.68 85.52 -3.87 99.60 0.28 0.12 0.31 2.07 97.31 0.00 0.09 0.00 0.20 0.02 48 L C C 32.11 16.48 15.71 32.80 118.79 129.61 -78.56 145.87 94.32 5.67 0.02 89.68 4.41 0.08 0.00 0.02 0.00 5.67 0.14 49 K E E 86.76 9.55 23.73 33.72 116.86 -136.93 -101.33 129.53 3.09 96.91 0.00 3.19 0.08 0.00 0.00 0.00 0.00 96.34 0.38 50 F E E 7.99 23.86 17.09 41.32 131.14 -174.82 -127.17 149.71 0.25 99.75 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 51 Q E E 40.15 11.76 25.29 37.90 118.40 -134.80 -100.78 132.33 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 52 I E E 7.32 22.68 18.93 42.21 119.41 -160.22 -111.73 128.75 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 53 H E E 36.32 13.03 19.67 33.95 115.68 -159.00 -108.17 124.38 9.34 90.63 0.04 8.04 0.81 0.10 0.01 0.02 0.00 90.77 0.25 54 N C E 53.40 10.74 17.56 29.73 99.67 -172.25 -106.70 15.41 54.99 44.37 0.64 36.74 12.11 6.02 0.06 0.70 0.00 43.41 0.97 55 G C T 37.81 8.50 15.36 24.35 99.38 -92.51 78.15 -7.79 98.65 0.64 0.71 2.42 43.85 52.37 0.02 0.80 0.00 0.42 0.12 56 K C S 150.54 1.83 16.15 18.12 103.43 40.41 -103.01 -27.89 98.43 1.01 0.56 2.58 50.16 45.78 0.02 0.61 0.00 0.71 0.14 57 E E E 124.24 2.08 18.02 20.07 126.91 31.87 -126.99 144.48 33.12 66.79 0.09 23.66 9.03 0.68 0.01 0.09 0.00 65.51 1.01 58 Y E E 90.80 16.50 10.49 26.18 118.28 -136.26 -98.61 133.21 10.31 89.68 0.00 9.68 0.39 0.02 0.00 0.00 0.00 89.64 0.27 59 V E E 58.31 7.72 18.64 27.83 119.04 -166.65 -120.69 124.11 3.64 96.36 0.00 3.25 0.15 0.00 0.00 0.00 0.00 96.57 0.03 60 P E E 80.21 7.65 18.45 27.19 114.68 -121.72 -68.83 139.97 3.59 96.41 0.00 3.34 0.06 0.00 0.00 0.00 0.00 96.59 0.02 61 I E E 23.78 19.40 13.52 32.86 128.10 -173.11 -128.38 143.59 2.69 97.31 0.00 2.71 0.03 0.00 0.00 0.00 0.00 97.21 0.05 62 E E E 111.09 4.59 24.34 29.35 115.40 -132.22 -92.39 130.67 2.42 97.57 0.00 2.42 0.04 0.00 0.00 0.00 0.00 97.31 0.23 63 I E E 11.71 24.43 11.34 36.00 114.81 -143.15 -94.50 126.46 29.48 70.49 0.03 29.66 0.37 0.02 0.01 0.02 0.00 69.19 0.73 64 S C C 38.33 5.07 22.57 27.81 133.91 170.88 -128.13 171.82 96.62 3.27 0.11 94.49 2.50 0.13 0.04 0.06 0.00 2.37 0.42 65 E H G 120.23 8.28 14.91 24.41 90.46 -95.79 -60.54 -31.97 17.70 0.20 82.11 0.80 1.75 14.26 2.83 80.19 0.00 0.14 0.03 66 D H G 115.02 1.62 19.51 20.76 90.35 61.43 -69.83 -19.15 17.64 0.11 82.25 0.48 1.10 15.20 2.31 80.82 0.00 0.08 0.02 67 M H G 25.85 18.23 13.68 32.26 95.80 50.90 -97.34 -5.18 17.29 0.43 82.28 2.18 2.00 12.19 3.13 80.10 0.00 0.31 0.10 68 V C T 40.59 17.02 14.27 31.54 113.42 114.92 -63.73 134.89 89.09 3.91 7.00 5.34 5.01 79.14 3.82 2.82 0.03 1.87 1.98 69 G C T 32.97 9.06 20.35 30.24 94.48 21.14 82.18 -3.93 92.51 1.19 6.31 4.30 6.99 81.32 2.72 3.44 0.01 0.80 0.43 70 H C C 79.11 10.07 19.45 30.02 100.34 113.89 -77.12 -40.18 70.56 3.88 25.56 40.22 14.82 15.94 13.91 10.79 0.04 1.63 2.66 71 K C T 83.19 11.86 21.40 32.58 99.88 -45.03 -67.10 -40.04 48.11 11.02 40.87 14.71 11.93 21.66 21.19 17.17 1.44 3.73 8.17 72 L H G 34.72 19.63 17.52 36.12 94.88 -14.46 -69.60 -17.39 44.22 3.32 52.46 6.03 8.84 27.72 22.34 30.34 0.86 1.73 2.14 73 G H G 25.44 12.30 19.21 31.32 95.90 41.38 -50.95 -17.97 40.64 1.90 57.47 8.71 7.62 23.86 18.41 39.28 0.16 0.98 0.98 74 E C G 86.61 8.73 18.63 28.05 93.75 77.37 -69.81 -26.75 51.02 2.27 46.71 10.45 9.51 30.46 13.36 33.57 0.14 1.19 1.32 75 F C T 89.01 10.63 16.02 27.18 99.45 45.44 -97.01 -3.14 61.07 4.70 34.23 16.75 14.65 30.85 9.89 22.58 0.24 2.23 2.81 76 A C C 34.35 13.17 11.76 25.55 116.61 99.26 -83.31 138.91 80.83 3.81 15.35 40.96 29.90 10.49 5.29 9.34 0.01 1.67 2.34 77 P C C 95.51 3.76 15.13 19.92 99.26 -117.42 -69.74 -12.78 81.81 2.67 15.52 41.23 18.01 22.76 3.75 11.63 0.01 1.42 1.19 78 T C C 76.12 7.40 11.33 19.79 103.05 80.11 -90.19 12.32 79.75 6.71 13.54 47.59 14.43 17.57 3.43 10.32 0.02 3.67 2.96 79 R C C 139.32 6.24 10.53 18.21 109.43 95.98 -92.55 94.91 84.65 9.17 6.18 58.24 20.12 5.87 2.76 3.52 0.02 4.70 4.76 80 K C C 140.05 2.61 11.67 15.98 117.68 63.49 -98.17 136.76 88.66 8.52 2.81 65.09 20.68 3.07 1.47 1.37 0.00 5.29 3.03 81 R C C 168.68 2.82 11.15 15.94 113.79 -113.03 -78.50 136.99 86.37 10.62 3.02 76.00 7.14 2.56 1.54 1.42 0.00 7.08 4.26 82 F C C 120.63 7.16 8.16 16.79 117.13 -138.73 -97.08 136.38 86.51 9.42 4.07 75.88 7.25 2.90 2.15 1.78 0.00 5.80 4.23 83 S C C 82.03 2.44 10.98 15.00 118.61 -166.05 -111.09 136.47 85.30 8.57 6.13 69.91 10.83 4.08 3.50 2.67 0.00 5.55 3.46 84 Y C C 146.56 4.92 8.12 14.84 115.49 -157.31 -101.77 129.28 76.33 7.37 16.31 48.99 17.78 9.65 9.48 6.81 0.01 4.67 2.63 85 T C C 99.16 2.38 9.66 13.51 112.22 -160.95 -96.50 120.41 76.06 5.22 18.72 50.42 15.24 10.41 10.56 8.12 0.01 3.36 1.87 86 Q C C 122.63 3.26 8.67 13.72 108.74 -149.56 -87.53 102.95 73.24 5.02 21.74 48.80 14.75 9.70 12.10 9.56 0.01 3.02 2.06 87 T C C 86.66 3.73 8.08 13.53 112.03 67.58 -92.44 124.92 74.05 4.18 21.77 49.55 12.45 11.95 11.16 10.59 0.01 2.38 1.90 88 K C C 153.67 1.87 8.45 11.67 101.94 -131.97 -78.79 -6.79 77.59 2.60 19.80 30.81 19.58 28.62 8.63 9.77 0.02 1.34 1.24 89 N C C 113.59 2.70 7.55 11.91 104.12 70.16 -88.33 38.77 86.55 1.13 12.32 57.26 4.80 26.05 5.39 5.23 0.00 0.64 0.63 90 K C C 146.59 2.77 9.73 14.24 103.58 83.52 -81.71 49.19 99.79 0.11 0.10 99.44 0.22 0.20 0.04 0.01 0.00 0.06 0.02