# 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 A C C 71.60 5.65 11.71 18.83 113.97 -146.66 -87.64 131.32 99.88 0.09 0.03 99.82 0.07 0.04 0.01 0.00 0.00 0.04 0.01 1 H C C 139.56 3.29 9.59 14.81 115.70 -151.17 -101.06 132.33 86.14 9.35 4.52 80.19 2.18 3.93 2.38 1.62 0.00 6.16 3.55 2 K C C 148.68 2.53 9.30 13.72 114.64 -145.93 -96.16 132.07 78.24 15.37 6.39 53.35 17.22 7.38 3.10 3.39 0.01 10.64 4.92 3 K C C 143.13 3.32 9.09 14.42 115.03 -131.75 -89.62 133.19 79.94 13.16 6.90 57.79 13.98 7.71 2.86 4.18 0.00 9.61 3.87 4 A C C 80.46 3.78 9.09 14.74 113.54 -136.41 -88.15 136.83 83.11 9.39 7.49 50.00 16.74 16.66 2.41 4.99 0.01 6.61 2.58 5 G C C 56.15 2.65 10.71 14.85 116.14 6.38 -110.07 161.94 85.88 7.00 7.12 39.33 23.15 24.24 1.77 5.08 0.01 4.38 2.05 6 G C C 49.97 3.78 10.70 16.09 119.22 50.30 99.68 173.31 83.65 7.57 8.79 44.09 25.26 14.90 2.41 6.18 0.01 4.47 2.67 7 S C C 76.52 4.32 11.09 17.02 113.41 -91.64 -92.54 137.84 76.95 10.63 12.42 50.50 15.95 10.36 4.65 7.93 0.02 6.64 3.96 8 T C C 85.53 5.29 10.78 17.63 110.30 -144.85 -93.58 113.15 72.12 10.75 17.13 43.64 15.76 13.21 6.55 10.38 0.03 7.01 3.42 9 R C C 156.65 3.94 11.55 17.04 106.76 -151.92 -88.05 40.64 70.86 10.18 18.97 34.19 17.93 20.32 7.22 10.63 0.07 6.26 3.38 10 N C T 102.41 4.73 12.20 18.19 102.98 75.92 -92.57 29.13 80.32 5.42 14.26 29.23 22.91 29.61 4.91 8.19 0.03 3.15 1.97 11 G C C 45.49 5.85 12.30 19.41 102.83 -100.45 81.06 5.99 87.06 4.10 8.84 37.62 26.00 24.25 2.68 5.64 0.01 2.21 1.61 12 R C C 128.94 5.91 12.65 20.14 116.71 123.10 -92.60 139.03 77.61 9.29 13.10 51.54 16.40 9.40 6.37 6.77 0.02 4.89 4.60 13 D C C 87.23 6.74 12.87 20.86 110.53 -121.06 -85.40 125.33 76.25 6.28 17.47 54.64 11.84 9.54 8.17 9.45 0.01 3.76 2.60 14 S C C 62.53 8.09 12.18 21.29 104.88 -161.72 -85.12 25.10 64.07 3.63 32.30 36.64 12.96 15.04 11.80 20.03 0.02 2.02 1.47 15 E C C 127.02 4.31 15.57 20.74 101.47 97.40 -82.78 -0.59 59.79 3.81 36.40 27.20 14.90 19.09 12.44 22.67 0.09 2.03 1.57 16 A C C 48.37 10.90 13.30 24.89 114.13 94.69 -84.02 139.66 61.62 4.38 34.00 33.90 14.51 14.53 10.38 22.60 0.03 2.51 1.54 17 K C C 102.81 9.39 16.95 26.89 115.47 -143.96 -95.81 132.54 71.80 10.71 17.49 46.11 17.34 9.35 5.62 11.39 0.01 7.96 2.21 18 R C C 103.08 12.16 18.84 30.80 120.79 -138.42 -102.31 137.60 60.38 35.29 4.33 47.51 9.23 3.36 1.63 2.76 0.01 31.21 4.29 19 L E E 46.00 17.06 18.62 35.17 121.46 -153.31 -106.30 141.54 41.38 58.17 0.45 36.01 4.09 0.68 0.16 0.28 0.00 56.84 1.94 20 G E E 13.93 14.11 22.50 36.49 142.44 150.33 -141.34 170.30 14.51 85.24 0.25 11.90 2.38 0.51 0.08 0.17 0.00 84.18 0.78 21 V E E 31.35 19.79 17.54 36.78 117.46 -82.62 -98.25 132.70 7.78 91.77 0.45 6.67 0.97 0.38 0.22 0.23 0.00 90.88 0.65 22 K E E 100.25 8.57 21.42 30.49 99.74 -173.34 -93.80 -27.28 13.93 85.24 0.83 7.76 5.43 1.34 0.34 0.39 0.00 84.22 0.52 23 R E E 87.91 10.25 19.58 30.49 134.65 13.63 -142.12 145.52 20.65 78.12 1.23 17.55 2.42 0.72 0.62 0.65 0.01 75.74 2.29 24 F C C 81.03 13.67 15.47 29.25 126.04 -166.50 -124.45 139.46 55.46 36.38 8.16 47.63 4.15 3.10 0.46 7.70 0.00 34.72 2.23 25 G C T 44.84 7.15 16.39 24.49 98.23 -6.85 58.77 53.61 88.70 2.54 8.75 0.69 5.12 83.65 0.10 8.43 0.00 1.82 0.19 26 G C T 52.94 4.02 16.86 21.82 95.94 -27.05 82.80 0.50 90.62 1.03 8.35 1.39 6.95 82.20 0.05 8.45 0.00 0.89 0.08 27 E C C 88.57 7.81 15.51 24.94 120.44 128.50 -84.09 146.78 91.23 8.71 0.05 78.02 12.63 0.28 0.00 0.07 0.00 8.61 0.39 28 S E E 66.48 6.84 20.32 28.12 117.05 -122.82 -86.24 140.37 15.73 84.26 0.01 15.91 0.31 0.02 0.00 0.00 0.00 80.97 2.79 29 V E E 12.12 22.70 12.34 34.80 126.58 -170.46 -126.05 142.78 2.48 97.52 0.00 2.69 0.02 0.00 0.00 0.00 0.00 93.49 3.79 30 L C C 89.78 4.06 23.89 27.71 120.47 -127.50 -88.12 150.10 50.83 49.16 0.01 52.29 0.37 0.03 0.00 0.01 0.00 45.72 1.59 31 A C T 54.96 12.21 15.25 27.85 109.54 -86.05 -58.99 134.69 99.14 0.75 0.11 0.08 1.34 98.10 0.00 0.07 0.00 0.37 0.04 32 G C T 40.97 5.64 20.60 27.20 95.65 24.11 89.31 -6.00 99.67 0.26 0.07 0.15 1.87 97.72 0.00 0.08 0.00 0.17 0.01 33 S C C 34.40 11.84 19.40 32.05 117.26 126.79 -77.06 142.24 87.54 12.38 0.08 83.59 3.44 0.12 0.00 0.08 0.00 12.28 0.49 34 I E E 48.45 16.03 21.13 36.84 110.59 -120.04 -80.14 122.75 2.31 97.69 0.00 2.41 0.04 0.00 0.00 0.00 0.00 96.91 0.63 35 I E E 10.87 22.36 21.60 43.81 100.96 176.05 -94.33 -33.28 1.36 98.64 0.00 0.93 0.31 0.01 0.00 0.00 0.00 98.74 0.01 36 V E E 7.91 22.25 22.12 44.17 137.48 5.10 -149.23 145.60 0.65 99.35 0.00 0.53 0.04 0.01 0.00 0.00 0.00 99.39 0.02 37 R E E 87.91 13.38 23.72 36.42 122.84 -162.39 -120.59 129.69 4.25 95.74 0.02 3.68 0.31 0.04 0.00 0.01 0.00 95.80 0.15 38 Q E E 37.51 18.51 16.36 34.37 115.61 -152.27 -100.59 125.25 31.35 68.36 0.29 27.02 3.06 0.65 0.07 0.25 0.00 68.04 0.92 39 R C C 130.09 7.06 17.68 25.86 115.08 -162.12 -101.94 129.93 71.37 27.54 1.09 31.26 21.02 20.30 0.11 1.14 0.00 24.71 1.45 40 G C S 51.84 3.05 17.93 21.12 104.65 12.74 87.02 -4.46 90.93 8.25 0.83 22.37 43.47 24.88 0.06 0.95 0.00 7.62 0.64 41 T C C 53.78 13.93 11.54 25.34 120.17 111.64 -99.20 139.69 87.38 11.28 1.34 71.16 13.20 2.79 0.20 1.31 0.00 9.59 1.74 42 K C C 145.93 3.07 19.85 23.21 101.73 -151.41 -95.72 12.90 81.57 17.35 1.09 63.74 14.85 2.68 0.22 1.03 0.00 14.36 3.13 43 F C C 47.57 19.54 11.44 30.01 124.01 91.31 -108.42 140.43 70.07 29.10 0.83 54.87 12.37 2.04 0.27 0.69 0.00 20.62 9.14 44 H C C 120.42 4.37 21.40 26.28 116.10 -145.67 -98.74 131.57 82.97 16.59 0.44 76.69 4.86 1.07 0.11 0.34 0.00 13.72 3.20 45 A C C 53.08 13.86 13.76 27.47 112.90 -113.46 -68.85 140.05 87.33 10.90 1.77 54.25 18.61 14.65 0.32 1.54 0.00 8.02 2.60 46 G C S 29.35 7.05 18.23 26.46 138.45 123.72 121.89 -174.26 89.92 8.24 1.84 35.11 35.83 19.45 0.21 1.90 0.00 4.68 2.82 47 A C T 87.58 2.45 19.82 22.37 95.23 -64.97 -71.20 -21.41 95.22 3.41 1.38 2.62 31.79 61.25 0.06 1.38 0.00 2.33 0.58 48 N C T 52.27 14.79 17.00 31.47 97.31 38.62 -97.37 7.63 93.53 6.04 0.44 5.23 26.21 61.82 0.01 0.57 0.00 5.88 0.27 49 V E E 15.04 22.34 14.60 36.62 125.62 87.40 -113.59 138.57 8.20 91.79 0.01 6.99 0.77 0.04 0.00 0.01 0.00 91.85 0.34 50 G E E 18.52 8.86 24.79 34.55 142.40 164.70 -153.39 175.11 0.43 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.59 0.02 51 C E E 50.35 15.65 16.82 32.06 125.22 -104.63 -117.84 141.54 1.22 98.78 0.00 1.22 0.03 0.00 0.00 0.00 0.00 98.53 0.21 52 G C C 19.49 11.16 13.60 26.02 126.98 -143.31 -89.23 173.45 85.75 14.20 0.04 84.75 0.76 0.11 0.00 0.03 0.00 13.88 0.46 53 R C T 194.08 1.05 15.80 16.54 91.55 -87.85 -63.79 -23.49 97.32 0.76 1.92 0.61 10.41 85.97 0.03 2.33 0.00 0.51 0.15 54 D C T 96.58 3.19 16.81 20.50 93.68 51.25 -89.79 7.88 98.04 0.12 1.84 0.45 8.20 88.87 0.02 2.37 0.00 0.07 0.03 55 H C S 63.79 13.66 15.28 29.37 93.60 -107.17 71.38 21.87 94.31 3.52 2.17 19.52 55.36 18.56 0.09 2.85 0.00 3.21 0.40 56 T E E 22.65 12.92 21.74 35.85 119.31 145.17 -86.25 142.82 46.01 53.99 0.01 46.56 0.43 0.02 0.00 0.00 0.00 52.35 0.64 57 L E E 2.82 25.83 19.76 46.70 115.48 -127.68 -89.80 130.78 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.85 0.01 58 F E E 42.11 12.89 27.33 40.76 128.75 -173.13 -126.67 143.67 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 59 A E E 6.08 23.37 15.34 39.29 112.16 -118.42 -78.63 130.77 4.27 95.73 0.00 4.34 0.06 0.00 0.00 0.00 0.00 95.37 0.22 60 K C S 102.10 6.40 23.21 30.28 95.69 -160.97 -87.03 -19.05 92.74 6.95 0.31 25.24 57.63 9.16 0.02 0.40 0.00 7.27 0.28 61 A C S 42.11 6.25 22.01 28.87 136.54 22.58 -139.50 166.26 93.41 6.19 0.40 2.70 78.56 12.59 0.02 0.34 0.00 5.45 0.34 62 D C C 88.97 6.13 21.47 28.25 113.49 -89.62 -67.92 141.63 93.97 5.51 0.53 50.07 36.55 6.77 0.02 0.77 0.00 5.55 0.27 63 G E E 12.10 10.99 20.03 32.82 143.55 96.31 161.26 -172.80 26.83 73.14 0.02 22.80 3.59 0.29 0.00 0.02 0.00 72.64 0.65 64 K E E 79.88 8.29 24.72 33.94 125.33 -69.76 -118.72 141.14 0.70 99.30 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.22 0.07 65 V E E 5.31 25.41 15.29 41.51 119.82 -153.22 -105.93 130.86 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 66 K E E 75.53 8.33 26.23 35.03 122.20 -167.77 -116.70 134.14 0.57 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.01 67 F E E 21.36 22.48 15.13 37.33 123.69 -162.59 -114.55 136.80 1.17 98.83 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.90 0.03 68 E E E 80.16 6.77 22.29 29.65 125.11 -169.29 -122.55 139.61 2.01 97.99 0.01 1.76 0.12 0.01 0.00 0.00 0.00 98.06 0.06 69 V E E 49.58 13.98 12.19 26.66 119.00 -149.69 -107.55 129.58 9.78 90.19 0.03 8.55 0.73 0.09 0.01 0.02 0.00 90.28 0.32 70 K E E 117.30 4.50 13.75 19.83 115.84 -165.16 -106.51 128.93 41.92 57.75 0.33 32.63 7.49 1.48 0.05 0.31 0.00 57.30 0.74 71 G C T 43.19 3.05 12.29 16.50 125.77 6.70 102.52 -172.22 82.73 8.35 8.92 16.00 27.17 39.38 0.38 9.52 0.00 6.60 0.94 72 P C T 115.28 1.44 10.99 12.91 104.71 -35.55 -72.08 95.04 86.44 1.30 12.26 8.47 17.73 57.73 0.51 14.29 0.00 0.84 0.43 73 K C T 146.77 2.24 10.60 13.90 102.45 39.94 -85.76 33.67 87.15 1.16 11.69 7.88 16.13 60.51 0.48 13.86 0.00 0.75 0.39 74 N C T 116.33 3.60 12.08 17.23 99.66 -111.84 29.06 42.49 92.17 4.70 3.13 19.59 20.36 51.94 0.21 3.47 0.00 3.87 0.56 75 R C E 97.46 8.60 12.57 22.69 119.65 149.91 -99.83 139.74 50.49 49.18 0.33 40.68 6.38 2.05 0.05 0.31 0.00 49.78 0.76 76 K E E 80.34 11.21 16.03 28.01 119.48 -146.97 -104.51 135.06 13.80 86.17 0.03 12.18 0.96 0.11 0.00 0.02 0.00 86.51 0.22 77 F E E 56.33 13.31 18.96 32.91 126.58 -165.25 -119.46 143.08 1.32 98.68 0.00 1.17 0.06 0.00 0.00 0.00 0.00 98.73 0.03 78 I E E 21.15 18.96 18.38 37.74 122.94 -158.95 -116.66 133.13 0.57 99.43 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.47 0.00 79 S E E 27.67 11.82 23.36 35.81 125.37 -164.63 -115.99 143.56 0.76 99.24 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.32 0.00 80 I E E 22.70 19.75 16.71 36.68 121.66 -159.16 -116.00 131.07 1.99 98.00 0.00 1.78 0.09 0.01 0.00 0.00 0.00 98.06 0.07 81 E E E 86.49 8.04 19.86 28.60 120.64 -159.10 -110.17 134.16 10.10 89.84 0.05 9.27 0.48 0.07 0.02 0.03 0.00 89.79 0.35 82 A E E 47.03 11.68 12.18 24.44 116.77 -136.24 -86.95 144.07 43.35 56.42 0.23 41.51 0.97 0.33 0.05 0.14 0.00 56.33 0.66 83 E C C 129.59 4.25 15.83 21.34 109.92 -118.70 -80.50 128.74 99.52 0.46 0.01 99.48 0.11 0.04 0.00 0.00 0.00 0.35 0.02