# 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 108.22 6.71 18.39 25.61 109.67 82.88 -90.40 103.62 99.92 0.08 0.00 99.87 0.08 0.01 0.00 0.00 0.00 0.04 0.01 1 V C C 36.94 18.12 10.01 27.35 120.17 -147.28 -101.36 136.43 82.52 17.41 0.07 83.65 0.43 0.04 0.04 0.01 0.00 3.00 12.83 2 Q C C 118.70 2.26 19.39 21.59 123.60 -151.96 -105.26 148.72 97.70 2.22 0.08 97.54 0.62 0.10 0.02 0.02 0.00 0.88 0.80 3 R C T 146.45 6.99 12.51 21.21 110.69 -90.46 -60.46 135.02 99.02 0.83 0.15 0.28 1.89 97.17 0.01 0.10 0.00 0.48 0.08 4 G C T 47.73 3.20 17.26 21.20 96.95 24.03 89.58 -6.40 99.60 0.35 0.05 0.33 1.98 97.35 0.00 0.05 0.00 0.28 0.01 5 S C C 32.72 10.53 13.47 25.93 118.74 133.09 -72.25 148.33 94.40 5.59 0.01 93.86 0.73 0.02 0.00 0.01 0.00 5.27 0.12 6 K E E 113.87 6.45 20.07 27.54 117.88 -128.04 -97.08 134.06 2.17 97.82 0.01 2.26 0.06 0.00 0.00 0.00 0.00 96.76 0.92 7 V E E 14.27 21.27 14.09 35.39 130.58 -173.83 -128.02 147.47 2.27 97.71 0.02 2.14 0.10 0.02 0.00 0.01 0.00 97.67 0.05 8 R E E 105.10 7.23 23.05 30.79 117.81 -132.76 -101.52 133.37 3.14 96.73 0.12 2.76 0.28 0.09 0.03 0.07 0.00 96.69 0.09 9 I E E 24.97 19.62 13.92 33.69 111.70 -133.23 -88.83 122.56 11.79 87.90 0.31 10.59 1.05 0.21 0.07 0.17 0.00 87.42 0.48 10 L C C 78.42 7.49 19.24 27.55 99.33 -175.02 -85.69 -25.87 65.33 34.19 0.48 44.51 18.65 1.38 0.07 0.43 0.00 34.29 0.66 11 R C C 88.37 9.07 14.96 25.19 116.99 40.03 -119.46 114.39 79.87 17.39 2.74 42.64 34.02 4.33 1.00 1.60 0.05 14.20 2.16 12 P C T 81.31 7.40 14.35 23.15 94.54 -153.92 -65.17 -25.66 85.27 6.44 8.29 29.74 18.90 37.20 1.34 7.04 0.02 4.46 1.31 13 E C T 122.82 3.85 16.82 21.10 94.95 61.93 -83.31 -7.89 82.85 6.66 10.48 20.50 22.49 40.51 1.65 8.64 0.04 4.07 2.11 14 S C C 24.32 14.48 11.22 26.46 112.01 92.97 -87.30 127.63 80.62 8.36 11.03 33.82 30.29 17.20 2.18 8.24 0.03 3.93 4.32 15 Y C T 119.26 7.59 16.83 25.62 93.97 -143.41 -65.59 -20.11 81.17 3.84 14.99 11.25 24.12 46.78 2.91 10.83 0.05 2.21 1.85 16 W C T 81.36 13.42 16.16 29.75 95.49 64.84 -79.50 -21.52 78.16 8.10 13.74 9.68 23.33 45.91 2.96 9.80 0.10 5.60 2.62 17 F C C 62.03 13.59 14.86 28.78 106.12 54.14 -92.91 45.84 56.26 30.29 13.46 30.38 14.82 12.89 3.73 9.16 0.20 20.56 8.25 18 R C C 142.51 5.97 19.05 25.71 99.69 -150.23 20.97 22.25 67.78 27.40 4.82 35.55 22.71 10.39 1.85 2.82 0.02 24.77 1.88 19 E E E 78.86 9.25 17.77 27.88 123.95 113.32 -109.67 145.02 41.29 54.72 3.99 23.28 13.21 6.90 1.53 2.31 0.04 51.32 1.41 20 I E E 75.58 12.05 17.78 30.06 120.05 -135.67 -101.79 135.96 21.22 77.62 1.16 17.71 2.31 0.78 0.70 0.44 0.00 77.21 0.85 21 G E E 13.65 13.22 18.29 32.24 141.00 160.33 -156.47 177.75 9.57 89.47 0.95 7.18 1.64 0.69 0.66 0.30 0.00 89.10 0.42 22 T E E 59.70 8.61 22.57 31.70 125.02 -93.11 -112.70 142.51 6.20 92.91 0.89 4.92 0.67 0.22 0.75 0.21 0.00 92.87 0.36 23 V E E 30.87 19.37 15.70 34.51 107.52 -142.19 -86.22 111.71 7.73 88.03 4.24 5.33 1.54 0.83 2.83 1.41 0.01 87.70 0.34 24 A E E 35.31 10.85 19.12 30.74 127.32 -142.07 -121.91 148.92 8.82 86.68 4.50 6.23 1.79 0.99 2.81 1.51 0.01 86.21 0.44 25 S E E 46.26 9.42 18.49 28.75 128.07 -150.45 -123.69 146.46 11.62 84.85 3.53 9.08 1.80 0.89 1.97 1.18 0.00 84.45 0.62 26 V E E 55.86 11.52 13.00 25.55 119.86 -149.94 -111.30 133.51 19.68 77.21 3.11 15.98 3.10 1.22 2.47 1.07 0.01 72.57 3.58 27 D C C 73.03 6.15 11.57 19.42 114.64 -145.50 -94.56 129.04 59.12 38.79 2.10 51.33 4.56 1.75 1.00 0.97 0.00 38.82 1.56 28 Q C T 140.69 2.50 10.51 14.42 98.37 -154.51 -82.06 -9.10 66.69 26.69 6.62 16.62 17.50 34.86 1.46 4.52 0.06 22.38 2.61 29 S C T 89.25 1.17 10.81 12.16 96.83 54.50 -88.07 3.79 92.13 3.21 4.66 13.05 19.29 59.78 0.72 3.99 0.00 2.38 0.78 30 G C S 59.24 1.52 11.41 13.64 96.57 -96.58 82.53 5.01 94.61 2.92 2.47 19.50 39.48 35.49 0.19 2.59 0.00 2.20 0.56 31 I C C 79.90 6.03 8.89 17.07 116.35 128.26 -91.65 134.33 72.14 26.98 0.88 47.42 19.09 6.02 0.20 0.87 0.00 22.19 4.20 32 K E E 142.04 3.35 13.75 18.51 101.39 -148.54 -84.95 8.27 46.52 52.90 0.58 31.33 13.69 2.31 0.22 0.51 0.01 41.08 10.86 33 Y C C 93.91 8.57 14.59 24.47 124.44 56.35 -121.72 138.18 60.23 39.62 0.15 38.41 21.23 1.04 0.03 0.15 0.00 37.69 1.46 34 P C C 59.49 9.12 17.62 27.55 113.42 -110.45 -70.77 142.64 56.86 43.06 0.08 46.34 8.12 0.48 0.01 0.08 0.00 44.39 0.57 35 V E E 21.55 18.05 15.59 34.05 124.78 -162.83 -120.87 137.97 9.86 90.10 0.03 8.81 0.83 0.08 0.01 0.02 0.00 89.82 0.43 36 I E E 58.92 9.93 22.59 33.28 116.74 -147.56 -104.68 126.69 2.06 97.94 0.01 1.89 0.11 0.00 0.00 0.00 0.00 97.83 0.16 37 V E E 13.69 21.06 17.32 38.44 121.17 -166.20 -112.97 129.75 2.91 97.08 0.01 2.63 0.16 0.01 0.00 0.00 0.00 97.08 0.11 38 R E E 91.97 8.98 23.54 32.88 119.63 -160.69 -108.06 132.73 12.74 87.21 0.04 11.15 1.03 0.11 0.01 0.03 0.00 87.25 0.42 39 F E E 25.31 20.59 13.07 33.31 118.38 -146.51 -97.15 135.00 47.74 51.69 0.57 43.53 2.73 0.60 0.15 0.40 0.00 50.87 1.73 40 D C S 89.02 5.00 20.15 25.52 100.24 -163.22 -86.16 -26.35 74.45 24.63 0.92 29.90 35.31 9.25 0.11 0.89 0.00 23.44 1.10 41 T C C 70.88 5.31 19.28 25.19 125.63 6.99 -135.59 141.00 67.18 31.10 1.72 31.01 26.87 11.11 0.29 1.53 0.01 26.96 2.21 42 C C C 46.27 16.42 11.90 27.53 119.07 -159.40 -110.08 133.27 60.65 36.57 2.77 40.46 14.08 6.96 0.73 2.18 0.01 31.40 4.17 43 N C C 83.47 5.96 16.95 23.82 110.78 -164.69 -107.98 100.16 56.29 41.48 2.23 38.44 11.71 6.99 0.56 1.93 0.01 34.67 5.69 44 Y C C 108.40 9.80 11.18 21.90 112.37 115.63 -99.31 114.81 55.29 41.45 3.27 34.01 15.13 7.96 1.02 2.60 0.07 31.89 7.32 45 N C C 104.85 3.60 12.94 17.85 110.95 -134.23 -98.49 111.54 69.47 27.37 3.16 38.88 18.67 13.05 0.72 2.65 0.02 21.83 4.19 46 G C C 39.28 6.28 9.59 17.31 118.37 -147.55 -99.52 168.59 79.28 16.03 4.68 33.31 26.35 20.71 0.69 4.16 0.01 11.98 2.78 47 I C T 133.92 2.13 9.20 12.66 105.28 -93.24 -85.33 30.61 73.25 18.13 8.63 16.14 25.22 33.71 1.29 6.93 0.13 11.45 5.12 48 S C T 97.56 0.81 10.22 10.87 101.34 21.28 -78.81 27.06 87.77 3.72 8.51 12.27 23.05 52.12 0.98 7.85 0.01 2.32 1.41 49 G C T 59.60 1.76 10.14 12.78 101.35 -67.04 83.24 1.66 87.15 5.52 7.33 18.69 29.85 39.18 0.90 6.29 0.01 3.45 1.64 50 T C C 89.65 2.90 10.33 14.92 118.31 114.30 -96.82 139.13 69.68 25.37 4.95 36.34 23.03 11.64 1.36 3.77 0.05 16.62 7.19 51 A C C 72.97 5.01 11.22 17.85 111.25 -113.12 -79.38 131.50 64.54 30.28 5.19 41.00 13.92 9.61 1.51 4.03 0.03 22.61 7.30 52 A C C 62.33 6.79 12.28 20.45 117.77 -158.57 -98.39 142.74 67.93 28.17 3.90 37.40 16.62 15.18 0.88 3.10 0.01 23.27 3.53 53 G C E 36.48 8.07 14.06 23.11 117.04 -116.23 89.95 167.74 59.78 38.08 2.14 31.82 18.35 11.71 0.40 1.87 0.01 33.37 2.48 54 I E E 82.68 9.77 13.78 24.49 119.69 -110.30 -102.42 134.60 41.04 57.59 1.37 31.81 6.27 1.86 0.67 0.92 0.01 48.30 10.16 55 N C E 78.57 9.34 15.20 25.45 115.48 -148.89 -99.24 128.10 51.43 47.28 1.29 42.88 5.57 1.91 0.49 0.93 0.00 42.99 5.22 56 T C C 66.42 10.73 14.85 26.18 114.84 -172.87 -110.69 113.39 69.82 27.61 2.57 41.24 19.03 10.90 0.56 2.16 0.01 23.45 2.65 57 N C C 72.92 9.86 16.14 26.70 115.79 98.04 -106.57 127.33 73.62 24.38 2.00 30.77 29.75 14.90 0.35 1.74 0.01 20.22 2.27 58 N C C 86.19 8.73 18.15 27.39 115.18 -149.74 -109.08 113.88 73.15 25.72 1.13 48.30 19.89 5.48 0.26 1.11 0.00 21.10 3.86 59 F C C 50.74 15.72 13.86 29.83 125.10 -167.80 -115.52 145.14 59.24 40.23 0.53 52.09 5.12 0.82 0.27 0.32 0.00 22.08 19.29 60 G C C 19.98 7.93 18.86 28.16 125.38 -149.68 -107.38 159.66 84.68 14.31 1.01 80.79 4.07 0.71 0.34 0.69 0.00 9.68 3.71 61 V H G 78.39 11.67 13.93 26.01 92.34 -109.18 -62.39 -28.77 7.96 0.96 91.07 1.42 1.33 4.55 0.84 90.90 0.00 0.93 0.02 62 H H G 149.78 1.57 18.47 19.54 92.16 62.75 -73.78 -14.20 7.89 1.07 91.04 0.86 1.27 5.08 0.58 91.16 0.00 1.03 0.02 63 E H G 66.65 11.43 14.22 26.61 96.28 59.95 -91.08 -3.75 8.15 0.93 90.92 1.37 1.41 4.29 0.48 91.47 0.00 0.95 0.02 64 L E E 39.59 18.68 10.26 28.09 122.62 87.02 -104.25 140.66 30.37 69.43 0.20 26.57 4.07 0.14 0.05 0.12 0.00 68.26 0.80 65 E E E 109.32 4.40 18.27 23.82 122.18 -161.59 -116.44 136.96 3.59 96.38 0.03 3.48 0.13 0.01 0.01 0.01 0.00 96.15 0.21 66 E E E 115.79 7.65 13.92 23.02 112.84 -117.14 -77.42 131.40 4.01 95.96 0.03 4.02 0.09 0.01 0.01 0.01 0.00 95.23 0.63 67 V C C 71.50 9.18 10.84 21.06 112.71 -164.64 -100.93 133.40 57.64 42.15 0.21 48.95 6.17 0.61 0.04 0.17 0.00 43.36 0.69 68 E C C 146.45 1.57 14.60 16.51 117.07 -99.74 -100.90 137.08 68.70 31.03 0.27 47.46 20.90 1.07 0.06 0.25 0.00 27.84 2.42 69 A C C 65.91 7.14 9.67 18.33 116.38 -110.23 -77.01 144.72 93.67 6.24 0.09 82.98 10.50 0.34 0.02 0.08 0.00 5.43 0.65 70 P C C 74.75 6.76 9.26 17.68 112.72 -104.84 -66.38 148.63 96.26 2.79 0.95 90.58 4.31 1.47 0.22 0.70 0.00 1.66 1.06 71 K C C 169.26 1.07 11.02 12.58 108.79 -112.25 -81.06 131.32 93.71 2.48 3.81 74.39 11.98 6.53 0.75 3.58 0.00 1.19 1.58 72 G C C 57.75 2.23 9.55 13.31 112.13 -62.20 71.44 158.45 89.54 2.23 8.23 49.62 20.68 18.23 1.00 8.30 0.00 1.17 0.99 73 G C C 53.69 2.59 9.45 13.73 115.80 -100.60 -84.71 171.21 89.00 2.99 8.01 50.94 22.50 14.60 1.10 7.94 0.00 1.61 1.31 74 K C C 158.41 1.79 10.19 13.41 114.98 -81.07 -85.05 139.15 88.85 4.09 7.06 65.10 17.73 5.31 1.87 5.53 0.00 1.98 2.49 75 K C C 141.23 3.25 8.79 14.21 115.56 -112.82 -82.64 140.94 91.85 2.86 5.29 77.40 12.01 2.30 2.49 2.66 0.00 1.34 1.81 76 P C C 99.67 3.16 8.86 13.97 111.32 -107.39 -68.64 148.10 83.16 2.82 14.02 69.94 6.25 6.68 3.66 10.61 0.00 1.69 1.17 77 A C C 90.41 1.82 9.20 12.42 109.23 -105.55 -76.93 138.05 79.68 4.20 16.12 52.82 14.86 11.44 3.74 12.91 0.00 2.41 1.82 78 A C C 82.46 2.92 8.02 12.84 114.59 -110.33 -82.46 139.74 79.29 5.56 15.15 49.60 19.85 9.59 3.91 11.38 0.01 2.95 2.72 79 K C C 150.30 2.13 8.88 12.80 115.08 -116.98 -88.71 137.39 91.26 3.83 4.92 63.66 25.12 2.63 2.48 2.20 0.00 1.91 1.99 80 P C C 100.84 3.22 8.30 13.44 111.60 -106.94 -69.41 145.45 84.59 4.14 11.28 68.97 7.63 7.66 3.98 7.36 0.00 2.37 2.03 81 A C C 88.35 2.16 8.61 12.33 108.06 -113.04 -76.69 139.19 83.96 3.47 12.56 51.20 19.45 13.28 3.46 9.06 0.00 1.84 1.71 82 A C C 86.55 2.02 9.12 12.64 113.30 -102.80 -86.76 140.55 83.35 4.19 12.46 48.25 24.28 10.91 3.49 8.73 0.01 2.07 2.26 83 A C C 73.37 3.82 8.04 13.77 115.86 -108.97 -78.91 147.45 90.87 2.43 6.70 63.89 21.79 5.32 2.48 3.99 0.00 1.15 1.38 84 P C C 98.64 3.15 8.47 13.48 110.66 -104.06 -70.30 146.41 87.19 2.42 10.38 67.48 9.17 10.17 2.49 8.20 0.00 1.40 1.08 85 K C C 159.30 1.72 9.17 12.27 107.75 -118.79 -81.64 118.11 80.71 5.49 13.80 45.28 17.63 17.76 2.66 11.35 0.01 3.07 2.23 86 A C C 81.65 3.17 7.48 12.42 111.22 -122.48 -88.36 125.85 80.48 6.94 12.58 46.66 17.12 16.49 2.22 10.85 0.01 4.23 2.42 87 E C C 152.35 1.64 9.16 12.26 111.01 -127.50 -87.21 126.25 89.89 4.74 5.37 80.13 2.85 7.46 1.50 3.17 0.00 3.10 1.79 88 G C C 52.20 3.10 11.61 16.15 113.95 6.43 82.94 -26.95 99.89 0.09 0.01 99.58 0.19 0.15 0.00 0.00 0.00 0.05 0.02