# 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 123.59 4.41 11.16 17.34 116.21 -163.45 -101.18 135.17 99.59 0.37 0.03 99.60 0.10 0.05 0.02 0.00 0.00 0.19 0.04 1 A C C 80.81 3.32 8.84 14.03 114.27 -146.37 -91.90 132.47 87.35 8.85 3.80 80.77 1.91 4.85 1.79 1.43 0.00 7.09 2.17 2 H C C 145.03 2.57 8.10 12.67 116.61 -153.40 -100.48 134.52 77.68 17.28 5.04 50.24 19.08 8.47 2.15 2.98 0.01 12.96 4.10 3 K C C 146.33 2.69 8.76 13.45 115.44 -140.60 -96.37 132.68 77.10 17.83 5.08 56.57 14.14 5.74 2.25 3.02 0.01 13.11 5.17 4 K C C 152.71 2.43 9.52 13.92 112.97 -128.89 -84.52 136.10 82.00 11.79 6.21 47.13 16.06 19.21 2.27 3.68 0.01 9.16 2.48 5 G C C 51.68 3.67 9.69 15.12 114.76 -125.60 -98.22 159.13 86.60 6.91 6.49 42.76 22.06 22.61 2.02 4.09 0.01 4.59 1.86 6 A C C 79.41 3.66 9.85 15.28 112.13 -127.31 -88.24 134.90 80.27 7.24 12.50 49.88 19.11 11.46 5.22 7.21 0.01 4.31 2.80 7 S C C 76.69 3.85 10.16 15.73 114.23 -134.98 -92.95 141.52 75.25 6.64 18.12 45.09 17.09 13.42 7.50 10.50 0.02 3.93 2.45 8 S C C 83.33 3.33 10.88 15.82 102.92 -138.23 -85.84 6.39 70.08 7.50 22.42 38.45 17.80 14.70 9.06 12.81 0.05 4.64 2.49 9 S C C 70.07 4.75 10.60 16.98 111.29 105.48 -93.51 110.92 69.74 8.95 21.31 41.17 16.27 12.82 9.75 11.30 0.05 5.69 2.94 10 R C C 149.77 4.57 10.86 17.08 106.19 -151.06 -90.74 59.06 70.57 9.19 20.24 37.38 17.15 16.91 10.24 9.41 0.06 5.53 3.32 11 N C C 104.80 4.42 12.24 18.05 106.23 52.27 -91.73 72.05 80.23 5.35 14.42 31.96 21.94 27.59 6.56 6.91 0.03 3.04 1.97 12 G C C 45.30 6.18 12.09 19.49 103.92 -97.86 79.86 6.07 85.53 3.99 10.49 38.66 24.90 22.83 4.06 5.81 0.01 2.10 1.63 13 R C C 132.58 5.67 12.49 19.76 114.84 127.89 -93.00 137.46 75.25 8.25 16.50 48.92 15.93 10.32 9.17 7.34 0.03 4.36 3.92 14 D C C 91.55 6.03 12.48 19.90 109.91 -131.08 -86.55 115.42 73.19 5.26 21.55 49.83 12.36 11.03 11.02 10.56 0.01 3.11 2.08 15 S C C 64.97 7.18 12.47 20.77 106.71 -164.86 -90.04 61.46 60.90 3.37 35.74 32.29 13.08 16.28 14.66 20.42 0.04 1.82 1.42 16 A C C 73.53 4.96 15.23 21.01 100.10 -135.47 -82.32 2.92 56.09 3.43 40.48 26.41 12.97 17.81 14.31 25.20 0.08 1.89 1.35 17 A C C 45.94 11.45 13.22 25.28 113.92 99.55 -83.17 139.32 55.65 4.92 39.44 32.13 12.13 12.82 11.86 26.57 0.03 3.04 1.42 18 Q C C 90.64 9.17 17.30 27.06 114.83 -139.12 -95.17 129.05 62.03 12.52 25.45 38.70 14.37 10.49 7.64 16.98 0.04 9.58 2.20 19 R C C 102.88 12.35 18.39 30.60 121.62 -149.78 -107.50 137.21 56.21 36.43 7.36 42.54 9.64 4.49 2.84 4.51 0.02 32.32 3.62 20 L E E 54.87 15.31 18.86 33.83 123.18 -158.46 -108.41 142.32 39.25 59.59 1.16 33.59 4.40 1.01 0.54 0.61 0.00 57.94 1.90 21 G E E 15.38 13.86 21.76 35.49 142.74 123.00 -142.82 -171.87 15.15 83.73 1.12 12.07 2.78 0.85 0.55 0.55 0.00 82.30 0.89 22 V E E 34.80 18.84 17.34 35.74 118.99 -77.03 -102.85 134.91 9.34 88.99 1.67 7.78 1.19 0.67 1.03 0.63 0.01 87.97 0.72 23 K E E 103.08 8.62 21.23 30.32 99.74 -171.87 -93.75 -26.27 15.56 82.41 2.02 9.38 5.30 1.64 1.02 0.83 0.01 81.18 0.65 24 R E E 86.12 10.99 18.78 30.34 134.26 16.40 -139.09 144.90 22.58 74.76 2.66 18.68 2.77 1.21 0.98 1.59 0.00 72.75 2.02 25 Y C C 98.46 11.99 16.04 28.44 127.44 -171.40 -126.00 142.54 58.43 33.26 8.31 50.19 4.42 3.29 0.49 7.81 0.00 31.79 2.01 26 G C T 45.15 6.87 16.56 24.30 100.92 -6.96 58.43 75.14 87.29 3.84 8.87 1.00 6.58 80.68 0.19 8.43 0.00 2.83 0.29 27 G C T 49.76 5.05 16.71 22.72 96.55 -20.90 83.01 -0.57 89.83 1.77 8.39 2.49 9.30 78.12 0.14 8.16 0.00 1.66 0.13 28 Q C C 83.41 7.83 16.25 25.53 119.92 130.50 -84.94 146.51 87.72 12.22 0.06 74.93 11.89 0.30 0.01 0.07 0.00 12.39 0.42 29 V E E 85.44 7.74 20.32 28.85 115.96 -124.30 -89.48 131.98 8.05 91.95 0.00 8.12 0.19 0.01 0.00 0.00 0.00 88.88 2.81 30 V E E 10.27 23.04 12.28 35.22 125.80 -170.61 -121.13 142.35 1.75 98.24 0.00 1.95 0.01 0.00 0.00 0.00 0.00 95.13 2.91 31 K C C 117.44 3.32 23.88 27.10 121.79 -136.24 -92.64 151.33 60.95 39.04 0.01 62.36 0.33 0.02 0.00 0.00 0.00 36.37 0.92 32 A C T 52.59 12.97 14.67 27.92 109.49 -85.95 -59.02 134.55 99.34 0.56 0.10 0.06 1.19 98.40 0.00 0.06 0.00 0.26 0.03 33 G C T 40.22 5.96 20.45 27.33 95.89 24.41 89.49 -6.23 99.75 0.19 0.06 0.12 1.64 98.06 0.00 0.05 0.00 0.12 0.01 34 E C C 72.32 10.13 20.22 31.13 117.65 125.39 -78.37 142.51 89.31 10.65 0.04 86.10 2.78 0.08 0.00 0.03 0.00 10.60 0.41 35 I E E 50.22 16.06 21.05 36.78 110.56 -118.24 -78.66 124.08 3.07 96.93 0.00 3.30 0.06 0.00 0.00 0.00 0.00 95.93 0.71 36 L E E 8.36 23.07 21.54 44.57 100.89 176.31 -94.66 -33.38 1.81 98.19 0.00 1.11 0.62 0.03 0.00 0.00 0.00 98.22 0.02 37 V E E 7.23 22.54 22.37 44.87 138.21 3.63 -150.10 147.48 0.73 99.26 0.00 0.58 0.08 0.02 0.00 0.00 0.00 99.29 0.03 38 R E E 83.22 13.28 24.24 37.01 123.85 -158.56 -120.75 131.84 4.54 95.44 0.02 3.85 0.44 0.06 0.00 0.01 0.00 95.47 0.16 39 Q E E 41.29 18.38 16.60 34.37 115.92 -146.55 -97.63 128.37 30.36 69.41 0.23 25.23 3.98 0.76 0.05 0.20 0.00 68.89 0.88 40 R C C 123.54 7.64 18.49 26.94 113.85 -170.48 -106.27 115.47 73.64 25.67 0.69 47.12 18.55 7.80 0.09 0.76 0.00 24.25 1.43 41 G C S 35.46 6.65 17.53 25.02 128.33 7.81 121.78 -175.49 90.16 9.32 0.52 34.38 43.45 12.26 0.04 0.64 0.00 8.37 0.85 42 T C C 82.61 8.71 15.24 24.75 104.10 -80.62 -93.69 3.24 87.47 11.72 0.81 51.25 30.61 5.91 0.10 0.91 0.00 9.77 1.46 43 K C C 129.97 4.40 19.57 24.72 112.40 72.79 -98.26 107.37 79.28 20.14 0.58 58.24 16.44 4.05 0.09 0.68 0.00 18.26 2.23 44 F C C 44.04 20.06 11.60 30.64 121.73 123.81 -108.89 135.93 62.95 36.68 0.37 54.46 6.89 0.77 0.15 0.28 0.00 24.39 13.07 45 H C C 107.93 5.50 21.75 27.82 116.28 -154.78 -106.70 123.51 86.95 12.96 0.09 82.06 4.58 0.37 0.02 0.07 0.00 11.03 1.88 46 P C C 65.57 13.54 14.39 27.85 112.33 -116.86 -66.37 142.57 90.43 8.31 1.27 48.52 21.50 20.58 0.18 1.25 0.00 6.29 1.68 47 G C C 31.22 7.90 17.65 26.63 136.31 103.08 111.58 -169.27 91.01 7.42 1.57 35.25 34.30 21.83 0.18 1.70 0.00 4.38 2.35 48 V C T 108.85 3.38 20.12 23.88 97.85 -58.59 -72.89 -20.43 92.98 5.64 1.38 4.30 34.57 54.88 0.07 1.34 0.00 3.94 0.91 49 N C T 49.36 14.89 17.17 31.80 97.30 40.30 -96.35 3.64 89.74 9.67 0.58 9.25 26.50 53.99 0.03 0.69 0.00 9.12 0.43 50 V E E 18.98 21.74 14.55 35.87 124.84 87.28 -111.44 139.35 13.17 86.80 0.02 11.23 1.38 0.08 0.00 0.01 0.00 86.82 0.47 51 G E E 21.69 8.48 23.89 33.00 141.17 166.69 -150.62 175.29 0.75 99.24 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.26 0.04 52 R E E 120.69 11.05 17.16 28.87 123.46 -106.58 -114.77 139.64 1.37 98.62 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.30 0.30 53 G C C 22.14 11.87 12.36 25.03 126.08 -143.71 -95.93 176.02 80.00 19.94 0.06 78.03 1.10 0.17 0.01 0.05 0.00 20.13 0.53 54 G C T 62.51 1.10 15.84 16.20 94.43 -87.08 -63.53 -29.48 94.01 2.20 3.80 1.73 15.21 76.31 0.07 4.71 0.00 1.61 0.36 55 D C T 100.16 3.35 16.03 20.09 95.92 48.23 -90.41 8.87 96.48 0.20 3.32 0.78 11.24 83.45 0.04 4.32 0.00 0.12 0.06 56 D C S 60.44 12.51 15.74 28.50 94.76 -106.00 71.69 21.80 94.83 1.60 3.57 10.57 53.21 30.01 0.10 4.62 0.00 1.20 0.28 57 T C C 23.95 12.92 20.28 34.50 122.44 134.93 -93.78 144.98 50.92 49.06 0.02 50.18 0.88 0.05 0.00 0.01 0.00 48.14 0.73 58 L E E 4.49 24.85 19.36 45.00 115.45 -130.81 -92.36 132.12 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.74 0.02 59 F E E 46.64 12.30 27.02 39.91 126.77 -170.39 -121.85 141.69 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.01 60 A E E 6.37 23.56 15.32 39.48 111.36 -117.48 -76.97 128.64 5.28 94.72 0.00 5.47 0.07 0.00 0.00 0.00 0.00 94.13 0.32 61 K C S 99.48 6.78 23.16 30.68 96.44 -165.76 -87.05 -22.53 92.01 7.75 0.24 17.21 65.35 9.03 0.01 0.30 0.00 7.77 0.33 62 T C S 59.04 5.38 22.97 28.81 136.38 21.08 -139.20 161.83 92.15 7.58 0.27 2.51 79.96 10.14 0.01 0.23 0.00 6.76 0.39 63 A C C 56.49 8.01 20.99 29.47 114.33 -87.81 -65.97 143.46 92.58 7.03 0.38 49.91 35.41 6.70 0.02 0.53 0.00 7.08 0.34 64 G E E 10.32 11.52 20.82 34.24 143.42 98.00 169.35 -173.38 18.55 81.43 0.03 15.85 2.62 0.20 0.00 0.02 0.00 80.77 0.53 65 A E E 29.87 10.45 24.91 36.50 127.89 -71.36 -122.33 146.53 0.77 99.23 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.22 0.04 66 V E E 7.92 24.60 16.49 41.53 117.87 -139.46 -101.23 129.28 0.28 99.72 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.73 0.00 67 E E E 68.20 9.63 24.89 34.75 124.68 -169.49 -119.32 138.34 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 68 F E E 56.31 17.90 16.22 33.45 123.04 -152.00 -107.58 139.36 1.30 98.70 0.00 1.16 0.04 0.00 0.00 0.00 0.00 98.78 0.02 69 G E E 19.45 6.99 19.53 28.18 141.36 139.49 -160.62 -173.46 2.23 97.76 0.01 1.67 0.31 0.03 0.00 0.00 0.00 97.97 0.02 70 I E E 97.56 6.90 13.62 22.36 122.10 -90.03 -115.84 135.60 3.08 96.90 0.02 2.44 0.33 0.04 0.00 0.01 0.00 97.12 0.06 71 K E E 102.42 6.41 9.89 18.30 121.99 173.31 -133.39 125.72 10.12 89.75 0.13 6.85 2.13 0.82 0.02 0.11 0.00 89.76 0.31 72 R C T 206.22 0.42 11.70 10.77 93.77 -13.90 51.93 42.91 99.05 0.62 0.33 1.59 5.50 92.04 0.02 0.30 0.00 0.52 0.05 73 G C T 65.81 0.74 11.19 11.57 94.88 -47.93 78.90 3.05 99.61 0.18 0.21 1.32 5.58 92.73 0.01 0.21 0.00 0.14 0.02 74 R E E 130.36 3.74 11.93 17.70 124.60 105.47 -113.43 142.81 8.05 91.93 0.02 5.27 2.21 0.27 0.00 0.02 0.00 92.00 0.24 75 K E E 101.72 9.21 12.91 23.40 114.48 -125.30 -86.26 131.06 3.02 96.98 0.00 2.57 0.11 0.01 0.00 0.00 0.00 97.29 0.02 76 T E E 39.91 10.05 17.67 29.32 128.13 -176.13 -126.07 146.17 1.12 98.88 0.00 0.98 0.03 0.00 0.00 0.00 0.00 98.98 0.01 77 V E E 30.12 18.68 15.74 34.44 122.35 -154.66 -116.65 131.99 0.73 99.27 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.35 0.01 78 S E E 37.37 9.40 23.62 33.53 127.58 -168.55 -122.55 144.75 1.02 98.98 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.10 0.01 79 I E E 35.20 19.58 16.33 35.77 119.11 -145.43 -106.47 128.21 1.87 98.13 0.00 1.67 0.08 0.00 0.00 0.00 0.00 98.16 0.08 80 V E E 52.61 9.94 19.82 30.64 122.75 -170.35 -119.04 132.98 10.05 89.93 0.02 9.15 0.59 0.05 0.01 0.01 0.00 89.75 0.45 81 G E E 33.06 9.80 16.59 26.79 118.03 -115.40 -76.46 161.12 44.75 54.93 0.33 34.57 8.62 1.34 0.05 0.30 0.00 54.39 0.73 82 S C C 60.54 10.09 12.55 23.17 110.07 -110.24 -82.55 128.70 89.20 8.01 2.78 52.94 25.96 10.15 0.33 2.79 0.00 6.96 0.87 83 T C C 95.98 3.65 12.48 17.78 112.06 -149.32 -91.06 123.35 91.83 4.96 3.21 54.82 23.80 12.94 0.50 3.20 0.00 3.63 1.11 84 T C C 97.60 3.82 10.03 15.73 111.46 -136.03 -90.68 118.83 94.23 3.36 2.41 87.24 1.61 5.98 0.50 1.52 0.00 2.13 1.03 85 A C C 77.79 4.30 11.01 17.02 109.24 -129.85 -86.77 121.27 99.94 0.04 0.02 99.87 0.06 0.04 0.01 0.00 0.00 0.02 0.01