# 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 106.87 6.55 11.77 19.78 117.72 -165.78 -97.15 136.99 99.95 0.05 0.01 99.91 0.04 0.02 0.00 0.00 0.00 0.02 0.00 1 D C C 105.11 3.53 10.70 16.03 109.90 -144.25 -90.22 114.05 93.97 2.78 3.25 85.66 1.87 7.04 0.81 1.82 0.00 1.92 0.89 2 T C C 91.03 4.86 10.10 16.72 112.62 -156.14 -93.78 122.82 91.17 5.64 3.19 53.72 24.57 12.87 0.39 3.19 0.00 4.36 0.90 3 Q C C 116.37 3.80 13.81 18.94 113.15 -139.52 -90.05 131.40 85.62 12.19 2.19 58.40 20.18 6.54 0.27 2.17 0.00 11.56 0.89 4 V C C 64.46 13.52 11.49 24.94 118.34 -131.36 -95.43 133.33 68.13 31.41 0.46 59.87 5.61 0.99 0.09 0.36 0.00 32.31 0.76 5 K E E 84.28 9.94 19.36 29.85 126.56 -171.15 -119.07 142.69 21.92 78.00 0.09 19.31 2.17 0.16 0.02 0.05 0.00 77.67 0.62 6 L E E 65.40 11.49 21.14 32.82 116.11 -121.66 -84.79 136.30 7.76 92.21 0.02 6.99 0.52 0.05 0.00 0.01 0.00 92.26 0.17 7 A E E 6.75 22.23 16.83 39.01 133.35 -173.48 -129.49 154.01 3.21 96.79 0.01 2.81 0.21 0.01 0.00 0.00 0.00 96.93 0.03 8 V E E 51.12 8.68 25.45 35.02 119.05 -132.49 -108.20 130.68 0.60 99.39 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 9 V E E 15.39 22.14 14.37 37.06 109.33 -121.30 -75.63 123.62 0.33 99.67 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.69 0.00 10 V E E 67.83 6.23 21.01 28.29 100.57 174.86 -98.27 -32.59 1.01 98.98 0.00 0.68 0.15 0.01 0.00 0.00 0.00 99.16 0.00 11 K E E 99.76 3.95 23.24 27.68 137.46 -1.50 -152.15 149.70 0.64 99.35 0.00 0.41 0.10 0.01 0.00 0.00 0.00 99.48 0.00 12 V E E 55.95 17.42 13.29 29.97 115.38 -136.78 -101.87 123.76 0.54 99.46 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.01 13 M E E 85.49 7.15 17.72 25.94 104.80 -172.15 -98.90 -0.64 1.83 98.16 0.01 1.47 0.18 0.02 0.00 0.00 0.00 98.30 0.02 14 G E E 30.34 6.48 17.44 25.12 141.12 -46.12 162.85 -173.68 3.51 96.48 0.01 2.49 0.73 0.08 0.00 0.01 0.00 96.66 0.03 15 R E E 133.12 6.35 13.64 21.96 125.16 -89.98 -117.05 145.68 6.95 93.02 0.03 6.25 0.44 0.05 0.01 0.01 0.00 92.77 0.47 16 T E E 75.54 6.53 10.65 18.90 119.78 -146.63 -108.15 142.47 33.52 66.22 0.26 28.89 3.97 0.50 0.08 0.19 0.00 64.47 1.90 17 G C T 44.58 2.95 11.29 15.65 125.61 19.91 91.53 -168.08 83.91 5.91 10.18 20.12 28.23 35.33 0.64 10.29 0.00 4.41 0.97 18 S C T 103.52 0.61 10.33 10.53 94.90 -62.93 -69.85 -20.80 86.92 0.77 12.30 2.99 17.46 64.30 0.45 14.00 0.00 0.45 0.34 19 R C T 180.65 1.09 10.58 11.89 98.14 50.32 -89.39 3.95 86.94 0.58 12.48 2.45 11.40 70.59 0.42 14.53 0.00 0.34 0.27 20 G C T 42.13 5.16 11.03 17.78 100.63 -104.43 83.76 4.27 91.09 2.59 6.33 23.35 28.69 38.43 0.44 6.79 0.00 1.64 0.66 21 Q C C 100.47 4.70 14.12 20.04 108.32 135.36 -80.52 114.17 76.24 23.09 0.67 60.34 10.55 4.47 0.13 0.63 0.00 21.99 1.89 22 V E E 45.23 12.01 13.62 26.77 127.17 65.63 -121.60 144.55 23.46 76.51 0.03 21.34 1.23 0.07 0.01 0.02 0.00 76.86 0.48 23 T E E 31.93 12.10 17.71 31.29 121.82 -145.53 -111.74 138.68 3.82 96.17 0.01 3.50 0.10 0.01 0.00 0.00 0.00 96.35 0.04 24 Q E E 54.56 12.19 19.75 32.68 120.97 -148.55 -104.25 136.52 0.55 99.45 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.50 0.01 25 V E E 11.11 19.65 16.91 37.23 125.15 -164.44 -120.06 138.97 0.43 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 26 R E E 76.76 9.27 24.16 34.12 116.98 -143.30 -99.59 129.44 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 27 V E E 8.09 22.27 16.05 38.69 126.32 -171.72 -123.86 141.35 0.56 99.44 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 28 K E E 78.40 7.37 23.22 31.18 120.91 -149.44 -111.77 133.06 2.01 97.98 0.00 1.77 0.07 0.00 0.00 0.00 0.00 98.10 0.05 29 F E E 24.13 16.83 12.76 30.65 110.65 -125.15 -77.35 126.71 13.94 86.01 0.04 12.57 0.92 0.09 0.01 0.03 0.00 85.80 0.57 30 L C T 86.94 6.93 15.39 23.85 94.63 -144.82 -67.25 -30.79 87.28 10.66 2.06 5.47 31.69 50.12 0.08 2.20 0.00 9.97 0.46 31 D C T 115.47 1.43 15.37 16.37 97.80 43.15 -88.95 -15.19 94.57 3.43 2.00 2.73 38.59 53.22 0.06 2.30 0.00 2.80 0.30 32 D C C 62.06 6.86 10.26 19.01 114.29 39.07 -129.32 99.47 74.41 24.16 1.43 45.37 23.23 6.56 0.13 1.78 0.00 21.09 1.84 33 Q C T 132.40 3.63 10.95 16.91 94.44 -169.80 -73.30 -16.39 75.17 23.57 1.26 15.66 22.68 37.83 0.10 1.35 0.00 21.07 1.30 34 N C T 130.68 0.98 14.50 14.77 94.47 59.94 -87.09 -6.37 77.47 21.79 0.74 10.53 31.06 35.09 0.03 0.86 0.00 21.94 0.50 35 R C E 98.23 8.30 12.48 22.33 122.13 75.61 -113.77 135.77 54.57 45.07 0.36 42.43 8.73 1.71 0.04 0.38 0.00 46.26 0.47 36 L E E 68.46 11.55 14.67 27.14 127.87 -173.10 -125.77 143.05 8.95 91.03 0.02 8.24 0.42 0.03 0.00 0.01 0.00 91.10 0.19 37 I E E 40.55 13.58 16.88 31.70 119.43 -152.47 -112.01 129.18 0.70 99.29 0.01 0.64 0.04 0.00 0.00 0.00 0.00 99.29 0.02 38 M E E 83.00 11.61 18.47 30.61 123.12 -166.68 -118.31 132.09 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 39 R E E 80.05 12.06 17.96 30.62 129.68 -176.71 -131.28 144.53 3.99 96.01 0.01 3.49 0.19 0.01 0.00 0.00 0.00 96.27 0.04 40 N E E 83.78 6.72 20.91 28.11 112.50 -123.17 -82.62 126.78 10.71 89.26 0.02 9.20 1.03 0.05 0.00 0.01 0.00 89.50 0.20 41 V E E 22.04 20.77 10.83 30.77 119.94 -162.19 -110.42 133.19 19.46 80.49 0.05 18.87 0.64 0.05 0.02 0.02 0.00 76.64 3.74 42 K C S 146.22 2.46 19.39 22.01 103.87 -155.30 -93.91 15.34 69.05 30.88 0.07 33.26 35.87 0.87 0.01 0.08 0.00 28.69 1.22 43 G C S 32.63 3.82 20.78 24.65 138.41 -3.15 142.97 -177.43 89.58 10.40 0.02 4.43 83.70 1.05 0.00 0.02 0.00 10.60 0.21 44 P C C 79.09 6.10 19.19 26.07 114.53 -37.94 -67.89 142.49 88.93 11.04 0.03 81.23 6.73 0.35 0.00 0.04 0.00 11.00 0.64 45 V C C 18.75 22.58 10.54 32.30 122.12 -154.03 -111.33 137.69 69.15 30.81 0.04 71.46 1.00 0.05 0.02 0.02 0.00 12.03 15.43 46 R C C 129.02 3.37 22.96 26.42 128.55 -163.72 -116.94 157.23 82.50 17.44 0.06 82.95 1.48 0.10 0.02 0.03 0.00 6.97 8.45 47 E C T 122.14 7.39 14.42 23.41 109.11 -78.24 -59.01 132.92 98.26 1.52 0.22 0.29 2.41 96.02 0.01 0.15 0.00 0.94 0.18 48 G C T 48.89 3.02 18.68 22.29 95.74 24.24 89.67 -5.67 99.31 0.55 0.14 0.55 2.87 95.90 0.01 0.12 0.00 0.52 0.02 49 D C C 42.55 12.77 14.09 28.02 118.04 132.30 -73.10 147.59 91.71 8.17 0.12 88.97 2.77 0.14 0.02 0.10 0.00 7.60 0.40 50 I E E 77.50 9.13 21.32 31.14 118.33 -136.55 -104.86 130.72 8.86 90.88 0.26 8.75 0.32 0.09 0.15 0.08 0.00 85.93 4.68 51 L E E 14.41 22.58 16.13 38.53 123.52 -166.49 -114.80 136.57 5.96 92.86 1.18 5.30 0.50 0.29 0.85 0.31 0.00 92.18 0.57 52 T E E 51.88 9.55 24.23 34.08 122.09 -157.32 -112.90 134.32 12.29 85.71 2.01 11.31 0.69 0.33 1.47 0.41 0.00 85.16 0.61 53 L E E 23.60 20.50 15.07 35.30 110.85 -134.65 -84.80 124.70 43.57 49.52 6.91 38.60 2.67 0.93 5.28 1.30 0.00 50.02 1.19 54 L C C 75.90 7.61 19.55 27.70 103.67 -147.14 -74.93 -38.94 52.00 9.77 38.24 42.20 4.89 4.27 33.09 5.33 0.01 9.35 0.87 55 E H H 102.74 4.95 18.97 24.23 97.00 42.07 -69.93 -35.13 36.52 4.25 59.24 23.51 6.51 7.40 51.84 6.54 0.03 3.55 0.62 56 S H H 33.59 10.24 15.30 26.78 94.82 61.74 -68.67 -36.38 27.64 1.59 70.78 19.51 4.13 5.60 62.68 6.58 0.01 1.12 0.36 57 E H H 77.80 9.43 15.34 25.72 93.08 55.29 -65.45 -39.87 9.05 0.29 90.66 5.82 1.53 2.56 86.68 3.14 0.01 0.19 0.07 58 R H H 126.32 2.78 17.56 20.39 92.43 51.34 -65.40 -40.69 5.95 0.18 93.87 3.11 0.96 2.30 90.58 2.87 0.01 0.12 0.04 59 E H H 89.98 3.52 16.28 20.56 92.17 50.19 -65.59 -40.00 6.50 0.18 93.32 2.97 0.95 2.81 89.82 3.25 0.01 0.13 0.05 60 A H H 30.21 8.75 11.63 22.42 91.87 52.76 -64.97 -39.08 8.98 0.16 90.86 3.83 1.31 3.96 86.08 4.64 0.01 0.10 0.06 61 R H H 135.78 3.09 13.36 17.71 92.09 53.28 -64.83 -37.80 17.32 0.25 82.42 5.38 2.02 9.51 74.63 8.20 0.02 0.14 0.11 62 R H H 163.64 1.39 12.47 14.04 92.64 54.20 -67.44 -31.07 32.90 0.37 66.72 7.61 3.12 21.43 60.08 7.34 0.03 0.19 0.19 63 L C H 105.22 3.64 9.61 14.84 95.74 55.00 -77.92 -14.27 52.94 0.59 46.48 25.87 1.81 24.29 43.34 4.07 0.00 0.26 0.36 64 R C C 162.55 3.46 12.20 17.35 101.22 75.56 -68.13 51.90 99.87 0.04 0.09 99.62 0.11 0.18 0.07 0.00 0.00 0.02 0.01