# 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 122.93 4.36 11.58 17.71 115.00 -160.44 -99.34 131.66 99.61 0.34 0.04 99.61 0.10 0.05 0.02 0.00 0.00 0.17 0.04 1 A C C 77.86 3.92 8.81 14.70 114.24 -146.16 -91.55 133.39 86.33 8.81 4.86 80.74 1.67 4.37 2.35 1.72 0.00 6.88 2.27 2 H C C 144.56 2.71 8.66 13.22 114.99 -154.93 -99.47 131.92 77.18 16.31 6.51 50.49 18.13 8.63 2.95 3.62 0.02 12.44 3.73 3 K C C 145.53 2.84 9.27 14.09 115.88 -142.24 -97.94 134.08 74.12 18.98 6.90 50.74 16.58 6.29 3.35 3.79 0.02 14.26 4.98 4 K C C 140.70 3.57 9.50 15.09 114.33 -132.04 -88.41 135.33 78.89 14.85 6.26 60.01 11.85 6.31 2.93 3.49 0.01 11.29 4.12 5 A C C 80.72 3.77 9.11 14.78 112.90 -129.17 -86.88 136.57 84.88 8.95 6.17 49.97 16.84 18.38 1.99 4.07 0.00 6.45 2.29 6 G C C 56.72 2.50 10.69 14.65 116.37 12.30 -107.45 160.75 86.76 6.83 6.41 36.68 24.66 26.21 1.46 4.71 0.01 4.33 1.93 7 G C C 50.49 3.57 10.62 15.79 119.10 49.67 91.88 169.30 84.32 7.25 8.42 41.03 27.38 16.51 2.01 6.24 0.01 4.33 2.48 8 S C C 79.27 3.80 10.96 16.37 112.88 -85.33 -91.65 125.09 76.99 10.27 12.74 48.34 17.10 11.61 4.15 8.68 0.02 6.48 3.63 9 T C C 86.87 4.99 10.59 17.18 110.18 -148.24 -94.07 113.82 71.47 11.09 17.44 41.65 16.35 14.23 5.81 11.28 0.04 7.30 3.34 10 R C C 158.66 3.64 11.45 16.71 106.23 -140.94 -89.71 31.75 70.31 11.02 18.67 33.31 17.91 20.63 6.45 11.20 0.07 7.03 3.40 11 N C C 102.38 4.75 12.17 18.21 103.34 87.83 -92.37 28.52 79.69 6.25 14.06 29.94 22.59 28.60 4.62 8.33 0.03 3.77 2.11 12 G C C 44.78 6.01 12.38 19.64 103.58 -102.55 82.14 6.45 86.65 4.74 8.61 38.30 25.88 23.31 2.55 5.58 0.01 2.65 1.73 13 R C C 128.47 6.08 12.82 20.43 116.81 128.25 -92.58 138.56 77.35 10.07 12.59 51.15 16.48 9.45 5.97 6.66 0.02 5.43 4.83 14 D C C 86.77 6.91 13.04 21.17 110.75 -121.88 -84.79 124.21 76.32 6.86 16.82 55.04 11.73 9.25 7.80 9.23 0.01 4.18 2.76 15 S C C 61.68 8.34 12.29 21.60 105.34 -161.98 -85.60 32.00 63.96 3.87 32.17 36.48 13.00 15.11 11.52 20.15 0.02 2.20 1.51 16 E C C 126.38 4.46 15.74 21.08 102.04 70.86 -83.25 1.35 59.60 4.03 36.38 27.31 14.64 19.04 12.34 22.78 0.10 2.19 1.60 17 A C C 47.82 11.17 13.47 25.26 114.09 93.75 -84.39 138.90 61.10 4.49 34.40 34.12 14.13 14.16 10.46 22.96 0.03 2.61 1.52 18 K C C 99.87 9.82 17.07 27.36 115.68 -146.89 -97.20 131.33 71.54 10.73 17.74 45.85 17.25 9.43 5.74 11.55 0.01 8.00 2.18 19 R C C 103.18 12.31 19.11 31.14 120.70 -145.23 -101.12 136.86 59.51 35.88 4.60 46.15 9.67 3.67 1.70 2.96 0.01 32.19 3.65 20 L E E 43.77 17.33 18.86 35.66 122.45 -154.45 -109.90 141.84 38.45 61.11 0.44 33.41 3.84 0.64 0.15 0.27 0.00 60.10 1.58 21 G E E 13.37 14.28 22.68 36.85 143.10 147.43 -161.20 170.21 11.59 88.17 0.25 9.68 1.72 0.41 0.09 0.16 0.00 87.32 0.63 22 V E E 31.34 19.75 17.58 36.75 116.61 -84.16 -94.68 133.05 6.18 93.43 0.39 5.35 0.72 0.30 0.20 0.19 0.00 92.73 0.50 23 K E E 100.50 8.42 21.26 30.25 99.52 -172.01 -92.54 -28.07 13.55 85.85 0.61 7.46 5.76 1.24 0.22 0.32 0.00 84.58 0.43 24 R E E 89.18 9.73 19.69 30.20 134.79 12.96 -142.80 145.98 20.60 78.45 0.95 17.22 2.87 0.71 0.46 0.53 0.00 76.43 1.77 25 F C C 83.01 13.63 15.10 28.85 125.90 -167.17 -125.14 138.38 56.39 37.41 6.20 47.67 4.82 3.38 0.43 5.67 0.00 35.88 2.14 26 G C T 46.08 6.69 16.29 23.98 98.50 -6.82 59.52 52.89 89.98 3.31 6.70 0.90 6.06 83.51 0.06 6.74 0.00 2.46 0.26 27 G C T 53.84 3.76 16.70 21.34 96.08 -27.26 82.85 0.33 92.59 1.40 6.01 1.84 8.23 82.05 0.05 6.47 0.00 1.24 0.12 28 E C C 88.92 7.76 15.31 24.72 120.55 127.50 -84.12 146.97 89.44 10.49 0.06 76.36 12.30 0.33 0.01 0.09 0.00 10.47 0.46 29 S E E 66.76 6.77 20.11 27.89 117.77 -124.57 -87.04 140.92 16.79 83.20 0.01 16.94 0.34 0.02 0.00 0.00 0.00 79.95 2.75 30 V E E 12.61 22.59 12.29 34.61 126.15 -169.28 -125.37 142.47 2.75 97.24 0.00 2.97 0.02 0.00 0.00 0.00 0.00 92.97 4.03 31 L C C 89.92 4.03 23.79 27.55 120.18 -128.72 -86.89 150.37 51.75 48.24 0.01 53.18 0.38 0.03 0.00 0.01 0.00 44.82 1.59 32 A C T 55.41 12.13 15.11 27.65 109.51 -86.91 -58.99 134.59 99.09 0.80 0.11 0.09 1.37 98.04 0.00 0.07 0.00 0.39 0.04 33 G C T 41.55 5.44 20.49 26.89 95.61 23.93 89.40 -6.01 99.66 0.26 0.07 0.15 1.90 97.69 0.00 0.07 0.00 0.17 0.01 34 S C C 35.65 11.58 19.29 31.68 117.49 126.05 -77.08 142.75 87.63 12.30 0.07 83.91 3.19 0.10 0.00 0.06 0.00 12.28 0.44 35 I E E 49.73 15.88 20.81 36.40 110.55 -119.97 -79.96 122.94 2.26 97.74 0.00 2.36 0.04 0.00 0.00 0.00 0.00 97.03 0.57 36 I E E 12.50 21.97 21.50 43.22 100.97 175.75 -93.91 -33.18 1.29 98.71 0.00 0.91 0.27 0.01 0.00 0.00 0.00 98.81 0.01 37 V E E 8.98 21.99 21.93 43.61 137.59 5.04 -149.11 145.66 0.77 99.22 0.00 0.64 0.05 0.01 0.00 0.00 0.00 99.28 0.02 38 R E E 89.10 13.42 23.32 36.09 122.96 -163.39 -119.98 129.84 4.74 95.24 0.02 4.14 0.33 0.04 0.00 0.01 0.00 95.29 0.17 39 Q E E 39.91 17.92 16.54 34.05 116.09 -155.53 -102.25 125.25 34.49 65.20 0.31 29.57 3.54 0.76 0.07 0.27 0.00 64.91 0.89 40 R C C 129.78 7.26 17.65 26.06 116.18 -162.12 -98.64 133.27 70.64 28.37 0.98 30.01 20.40 21.40 0.10 1.04 0.00 25.66 1.38 41 G C S 50.72 3.31 17.93 21.51 105.45 14.37 86.88 -5.26 90.05 9.35 0.60 22.69 41.36 25.68 0.03 0.75 0.00 8.87 0.61 42 T C C 55.07 13.54 12.24 25.81 119.63 112.22 -99.93 139.15 86.17 13.12 0.72 69.86 13.54 2.43 0.11 0.75 0.00 11.88 1.43 43 K C C 141.87 3.33 20.29 24.11 111.42 -139.06 -97.23 114.98 75.03 24.55 0.42 63.57 8.93 1.57 0.10 0.41 0.00 22.18 3.24 44 F C C 42.29 20.24 11.43 30.73 123.80 53.13 -116.93 141.91 59.47 40.11 0.42 50.61 6.22 0.92 0.15 0.32 0.00 31.43 10.34 45 H C C 117.11 4.46 21.68 26.58 116.47 -143.52 -99.32 134.82 79.37 20.37 0.25 74.60 3.59 0.65 0.07 0.19 0.00 18.21 2.69 46 A C C 54.33 13.46 13.76 27.15 112.57 -112.63 -67.84 140.35 85.33 12.92 1.74 38.91 24.41 22.62 0.29 1.59 0.00 9.85 2.33 47 G C S 32.24 6.11 18.63 25.96 136.86 88.52 140.18 -173.23 90.58 7.65 1.77 21.75 41.45 27.66 0.18 1.84 0.00 5.03 2.09 48 A C T 85.11 2.84 19.95 22.99 95.38 -58.03 -72.05 -20.90 94.82 3.71 1.46 2.86 35.87 56.60 0.06 1.46 0.00 2.54 0.62 49 N C T 49.26 15.25 17.03 31.93 97.19 39.14 -97.47 6.29 92.17 7.39 0.45 6.11 27.63 58.10 0.02 0.59 0.00 7.25 0.31 50 V E E 15.18 22.26 14.80 36.77 125.39 86.76 -113.26 139.22 7.32 92.67 0.01 6.27 0.66 0.03 0.00 0.00 0.00 92.69 0.34 51 G E E 18.53 8.99 24.69 34.56 142.25 160.84 -153.73 174.81 0.45 99.55 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.55 0.03 52 C E E 50.70 15.54 16.73 31.90 124.94 -105.99 -117.54 141.07 1.54 98.46 0.00 1.55 0.04 0.00 0.00 0.00 0.00 98.17 0.24 53 G C C 19.68 11.08 13.54 25.89 126.76 -143.21 -88.23 -176.64 87.88 12.08 0.04 87.02 0.76 0.11 0.00 0.03 0.00 11.62 0.46 54 R C T 194.51 1.03 15.65 16.36 91.52 -87.46 -63.87 -23.53 97.53 0.67 1.80 0.60 10.55 86.08 0.03 2.16 0.00 0.44 0.14 55 D C T 96.48 3.20 16.60 20.32 93.71 50.95 -90.02 7.54 98.24 0.12 1.64 0.44 8.42 88.91 0.02 2.11 0.00 0.07 0.03 56 H C S 65.27 13.49 15.25 29.19 93.63 -107.82 71.37 22.45 94.51 3.46 2.03 20.73 57.83 15.25 0.09 2.57 0.00 3.08 0.45 57 T E C 22.63 13.00 21.69 35.85 119.81 143.98 -86.97 143.62 49.66 50.33 0.01 50.07 0.47 0.02 0.00 0.00 0.00 48.80 0.63 58 L E E 2.78 25.90 19.78 46.81 115.49 -127.04 -89.17 131.01 0.14 99.86 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.83 0.02 59 F E E 41.61 13.05 27.37 40.93 128.94 -173.60 -127.63 144.76 0.05 99.95 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 60 A E E 5.85 23.51 15.36 39.47 112.25 -117.65 -78.15 130.95 4.18 95.81 0.00 4.27 0.06 0.00 0.00 0.00 0.00 95.43 0.24 61 K C S 101.54 6.48 23.26 30.44 95.58 -160.82 -86.49 -19.32 92.78 6.94 0.28 23.33 58.87 10.06 0.02 0.37 0.00 7.07 0.28 62 A C S 41.78 6.42 21.91 28.98 136.27 22.84 -139.75 166.54 93.79 5.84 0.37 2.47 79.15 12.62 0.02 0.30 0.00 5.10 0.33 63 D C C 89.60 6.06 21.46 28.20 113.47 -89.85 -68.53 141.31 94.48 5.03 0.48 49.26 37.94 6.81 0.02 0.70 0.00 5.01 0.26 64 G E E 12.40 10.60 20.23 32.68 142.99 93.40 158.58 -171.37 28.57 71.41 0.02 23.63 4.35 0.30 0.00 0.02 0.00 71.03 0.66 65 K E E 79.16 8.38 24.69 33.99 125.58 -67.26 -117.64 141.51 0.68 99.32 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.24 0.07 66 V E E 5.02 25.52 15.35 41.69 119.76 -151.62 -105.04 130.77 0.35 99.65 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.00 67 K E E 74.81 8.48 26.27 35.21 122.37 -167.05 -116.44 134.57 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 68 F E E 21.42 22.45 15.26 37.42 124.03 -160.51 -114.89 137.35 0.92 99.08 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.14 0.03 69 E E E 79.05 6.93 22.27 29.79 125.78 -170.40 -123.41 142.19 1.60 98.40 0.00 1.40 0.08 0.01 0.00 0.00 0.00 98.47 0.04 70 V E E 50.75 13.70 12.35 26.63 118.77 -144.95 -105.95 129.38 8.42 91.56 0.02 7.41 0.59 0.06 0.00 0.02 0.00 91.65 0.27 71 K E E 114.57 4.77 13.49 19.91 115.98 -164.50 -107.07 129.70 40.15 59.58 0.27 31.89 6.59 1.20 0.04 0.26 0.00 59.32 0.71 72 G C T 44.25 2.86 12.37 16.33 124.91 9.00 98.15 -170.49 85.05 6.31 8.65 12.21 26.57 45.59 0.34 9.55 0.00 4.92 0.82 73 P C T 117.69 1.28 10.93 12.59 98.24 -30.26 -71.82 -12.29 87.78 0.95 11.27 6.38 15.97 62.69 0.43 13.57 0.00 0.62 0.34 74 K C T 145.06 2.24 10.57 13.84 101.70 45.79 -86.59 23.35 88.35 1.02 10.64 6.64 14.31 64.74 0.41 12.90 0.00 0.67 0.33 75 N C T 114.72 3.86 12.07 17.53 99.25 -114.63 36.74 43.30 93.27 4.21 2.53 20.67 17.84 54.47 0.17 2.83 0.00 3.52 0.50 76 R E E 95.70 8.50 12.85 22.92 119.93 154.07 -98.88 140.77 48.97 50.78 0.25 40.11 5.63 1.73 0.03 0.24 0.00 51.59 0.67 77 K E E 78.85 11.31 16.31 28.38 119.09 -139.94 -101.50 135.91 11.81 88.17 0.02 10.51 0.70 0.07 0.00 0.01 0.00 88.52 0.18 78 F E E 50.68 13.68 19.07 33.44 126.91 -165.95 -120.40 144.22 0.91 99.08 0.00 0.82 0.03 0.00 0.00 0.00 0.00 99.13 0.02 79 I E E 20.24 19.29 18.64 38.29 122.96 -156.79 -116.76 133.22 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 80 S E E 25.80 12.04 23.65 36.32 125.96 -165.60 -117.24 144.22 0.58 99.42 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.49 0.00 81 I E E 21.85 19.99 16.87 37.05 121.31 -157.62 -115.07 130.50 1.54 98.46 0.00 1.36 0.06 0.00 0.00 0.00 0.00 98.53 0.04 82 E E E 82.80 8.38 19.94 29.01 121.28 -161.33 -112.44 134.79 8.55 91.41 0.03 7.87 0.38 0.05 0.01 0.02 0.00 91.37 0.29 83 A E E 47.72 11.40 12.47 24.53 116.84 -137.19 -88.43 143.69 41.54 58.27 0.19 39.76 0.94 0.30 0.04 0.12 0.00 58.23 0.61 84 E C C 128.88 4.38 15.81 21.46 109.80 -118.72 -80.67 127.84 99.56 0.43 0.01 99.49 0.12 0.04 0.00 0.00 0.00 0.33 0.01