# 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 R C C 123.62 8.18 16.06 25.00 119.83 -155.84 -104.63 137.13 99.61 0.38 0.01 99.41 0.24 0.06 0.00 0.00 0.00 0.26 0.03 1 K E B 115.70 5.45 17.04 23.82 122.40 -146.51 -111.54 137.81 39.81 59.61 0.58 36.82 1.06 0.17 0.48 0.11 0.00 12.91 48.45 2 C C C 21.52 16.92 9.63 26.79 112.37 -117.36 -74.77 130.80 82.28 17.42 0.30 80.42 2.09 0.36 0.16 0.11 0.00 10.22 6.63 3 V C T 88.58 5.29 17.34 23.82 93.93 -143.37 -69.09 -25.41 94.27 4.88 0.85 3.43 15.22 76.21 0.18 0.51 0.00 3.24 1.21 4 I C T 76.94 9.58 14.97 25.10 99.94 44.22 -85.65 -37.96 98.52 1.09 0.39 0.62 7.21 91.00 0.04 0.21 0.00 0.67 0.26 5 T C T 64.36 7.12 14.41 22.68 102.31 21.33 -104.15 -11.92 98.50 1.03 0.47 1.76 7.82 89.11 0.07 0.30 0.00 0.70 0.23 6 G C C 44.13 4.17 15.49 20.81 98.13 -117.35 82.23 4.80 92.78 6.88 0.35 68.71 19.38 4.68 0.11 0.28 0.00 4.56 2.28 7 K C C 102.21 7.63 11.87 21.18 118.28 137.45 -80.92 142.38 81.82 17.81 0.38 72.49 7.72 0.99 0.13 0.29 0.00 10.52 7.85 8 K C C 130.85 3.74 14.61 20.11 123.35 -159.45 -118.46 143.23 71.44 28.25 0.31 62.14 7.97 0.71 0.11 0.25 0.00 23.38 5.44 9 T C C 77.65 8.99 11.16 21.30 118.97 -120.39 -89.64 140.80 63.52 36.28 0.20 57.99 3.53 0.45 0.05 0.14 0.00 36.69 1.15 10 T E E 78.01 5.72 12.99 20.66 125.86 -165.06 -126.07 146.17 16.87 82.86 0.27 14.91 1.82 0.33 0.13 0.15 0.00 79.90 2.75 11 A E E 75.80 4.65 11.98 18.94 123.67 -151.48 -116.93 141.62 14.55 85.14 0.32 13.08 1.27 0.28 0.15 0.15 0.00 83.71 1.35 12 G E E 35.86 5.91 11.63 19.41 133.84 169.55 -149.34 174.32 26.16 73.26 0.57 21.39 4.36 0.91 0.20 0.34 0.00 71.77 1.04 13 N E E 108.55 3.62 11.86 17.34 121.39 -102.99 -109.28 140.72 33.03 65.92 1.05 26.47 5.62 1.42 0.38 0.61 0.00 64.17 1.33 14 N E E 93.98 5.83 10.00 17.75 120.44 -164.44 -113.81 140.12 40.57 57.31 2.13 32.05 6.98 2.25 0.91 1.14 0.01 54.91 1.76 15 R E E 159.43 2.67 9.99 14.55 117.54 -150.88 -104.38 132.21 46.26 50.08 3.66 36.37 7.53 2.54 2.23 1.71 0.02 46.16 3.44 16 S C C 59.65 4.90 7.25 14.02 121.93 -161.86 -104.68 156.69 63.81 32.44 3.75 53.24 6.50 3.04 1.86 1.90 0.01 30.28 3.17 17 H C T 170.24 0.75 8.49 9.45 97.48 -113.80 -73.00 -20.58 74.00 8.49 17.51 25.00 18.66 31.90 4.57 11.66 0.04 6.57 1.60 18 A C T 91.60 0.94 8.15 9.44 102.82 51.89 -89.00 5.52 80.78 2.14 17.07 23.84 18.46 39.25 3.94 12.38 0.01 1.38 0.75 19 M C C 141.43 2.01 8.18 11.62 102.76 -86.08 -23.44 48.87 77.20 5.85 16.95 30.07 22.75 25.97 3.57 12.22 0.02 3.78 1.62 20 N C C 109.34 2.25 8.89 12.80 115.72 146.22 -92.29 133.51 74.11 20.65 5.24 44.01 12.73 17.91 1.44 3.57 0.01 17.55 2.78 21 A C C 75.86 4.50 8.62 14.97 116.58 -140.60 -93.31 136.65 55.92 40.41 3.67 41.88 9.17 5.15 1.29 2.53 0.04 35.43 4.52 22 S C E 64.37 3.79 11.30 16.81 121.48 -163.77 -112.82 145.87 54.44 43.86 1.69 39.31 11.15 3.94 0.45 1.26 0.00 42.21 1.68 23 K E E 139.28 4.17 10.82 17.24 117.63 -131.14 -96.17 134.65 46.68 52.90 0.42 38.56 5.78 1.04 0.10 0.29 0.00 53.47 0.76 24 R E E 114.56 6.90 11.98 20.75 125.66 -174.12 -122.82 143.64 23.96 75.91 0.13 21.71 1.53 0.20 0.04 0.07 0.00 75.83 0.63 25 T E E 83.94 5.92 13.45 21.35 120.72 -148.57 -110.05 134.78 7.74 92.21 0.05 7.28 0.45 0.06 0.02 0.02 0.00 91.07 1.09 26 W E E 97.30 10.51 12.67 24.46 124.72 -171.95 -121.01 143.63 11.54 88.31 0.15 10.18 1.15 0.21 0.07 0.08 0.00 85.52 2.80 27 G C C 37.83 6.05 16.87 23.83 120.33 -138.48 -99.71 156.73 55.89 43.50 0.61 43.15 10.72 1.77 0.10 0.54 0.00 42.74 0.99 28 A C C 43.83 11.66 14.05 26.14 116.24 -98.80 -83.88 148.89 69.82 27.90 2.28 32.74 26.37 11.35 0.15 2.37 0.00 26.17 0.84 29 N C E 77.73 7.47 18.30 26.51 99.65 4.18 -33.50 43.12 63.18 34.64 2.18 32.86 18.72 11.65 0.12 2.24 0.00 33.69 0.71 30 L E E 53.87 14.35 13.14 27.78 118.61 171.21 -94.32 134.05 24.74 75.16 0.09 21.98 2.01 0.17 0.02 0.07 0.00 75.39 0.36 31 Q E E 69.56 8.92 17.61 27.78 125.34 -169.91 -120.00 142.18 2.19 97.81 0.01 1.90 0.12 0.01 0.00 0.00 0.00 97.93 0.04 32 K E E 115.13 7.06 17.00 25.42 115.13 -124.42 -87.60 130.96 0.63 99.37 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.44 0.01 33 V E E 28.96 13.77 12.93 28.06 130.46 -175.72 -131.79 150.50 0.59 99.41 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.44 0.00 34 R E E 132.33 4.81 17.91 23.90 115.64 -127.81 -95.38 128.43 0.61 99.39 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.43 0.01 35 I E E 28.50 15.25 11.07 27.15 128.52 -175.03 -124.22 149.21 0.85 99.15 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.24 0.01 36 L E E 93.60 3.93 14.95 20.28 113.65 -128.62 -95.78 124.26 3.49 96.50 0.01 2.94 0.19 0.02 0.00 0.00 0.00 96.81 0.03 37 V E E 52.75 10.92 8.26 20.11 118.05 176.59 -127.93 118.64 6.65 93.27 0.08 4.10 1.80 0.53 0.01 0.07 0.00 92.82 0.67 38 N C T 138.17 1.00 11.64 12.72 93.22 -14.78 52.16 42.03 99.38 0.43 0.20 0.41 4.14 94.92 0.00 0.18 0.00 0.31 0.03 39 G C T 66.68 0.61 11.03 11.09 94.44 -50.95 78.78 2.91 99.74 0.10 0.16 0.37 5.04 94.35 0.00 0.16 0.00 0.07 0.01 40 K E E 133.48 1.70 12.28 15.07 123.65 102.76 -114.70 139.45 8.64 91.34 0.01 3.37 5.82 0.23 0.00 0.01 0.00 89.66 0.90 41 P E E 89.50 5.49 10.49 18.00 113.72 -111.17 -68.57 137.80 8.34 91.66 0.00 7.18 0.33 0.02 0.00 0.00 0.00 92.42 0.05 42 K E E 89.24 7.37 13.51 22.63 127.24 -173.94 -126.31 146.59 4.13 95.87 0.01 3.53 0.21 0.01 0.00 0.00 0.00 96.21 0.04 43 K E E 124.61 6.06 15.67 23.63 118.10 -131.67 -98.23 133.53 1.29 98.70 0.00 1.12 0.04 0.00 0.00 0.00 0.00 98.82 0.02 44 V E E 25.42 15.95 14.71 31.51 129.74 -175.57 -130.81 147.25 0.66 99.34 0.00 0.57 0.01 0.00 0.00 0.00 0.00 99.42 0.00 45 Y E E 95.54 9.42 22.22 32.26 117.08 -131.37 -96.09 131.83 0.44 99.56 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.63 0.00 46 V E E 11.00 20.88 16.96 37.99 131.62 -177.37 -130.68 150.16 1.18 98.82 0.00 1.11 0.02 0.00 0.00 0.00 0.00 98.83 0.04 47 S E E 19.61 11.83 20.07 33.22 117.59 -110.52 -72.27 153.48 20.49 79.49 0.02 20.46 0.31 0.01 0.01 0.01 0.00 78.77 0.43 48 A H H 42.96 10.48 18.10 29.73 92.31 -116.68 -59.73 -37.26 4.95 0.06 95.00 0.90 0.73 3.26 91.03 4.02 0.02 0.04 0.01 49 R H H 133.45 2.82 22.45 24.82 91.69 55.24 -63.97 -39.69 2.57 0.05 97.38 0.38 0.24 1.81 93.32 4.20 0.01 0.04 0.01 50 A H H 14.06 14.56 15.42 31.24 91.76 50.75 -65.02 -40.78 1.99 0.07 97.93 0.45 0.23 1.24 93.10 4.91 0.01 0.07 0.01 51 L H H 37.52 17.03 13.68 30.41 92.10 50.82 -64.85 -40.16 4.62 0.17 95.21 1.06 0.56 2.95 91.96 3.26 0.03 0.14 0.03 52 K H H 144.57 2.46 17.58 20.53 91.59 51.60 -67.26 -31.00 23.23 0.30 76.47 2.19 1.91 18.92 74.57 2.05 0.07 0.17 0.11 53 S C T 71.26 2.59 15.79 18.58 93.52 51.17 -84.67 -11.37 56.33 0.34 43.33 3.35 5.65 44.85 43.90 1.87 0.03 0.15 0.20 54 G C T 42.89 8.06 12.74 21.98 95.36 -114.93 79.81 9.89 92.44 2.72 4.84 21.06 22.41 49.65 2.76 1.66 0.00 1.87 0.59 55 K C C 118.31 4.47 15.92 21.76 108.45 124.87 -91.81 103.62 82.03 14.71 3.26 66.33 8.81 6.35 1.51 1.75 0.00 12.53 2.72 56 V C C 51.45 16.02 9.42 24.53 119.68 126.47 -107.04 131.78 79.51 18.68 1.81 76.00 1.70 1.61 1.13 0.61 0.00 14.94 4.00 57 E C C 131.52 3.20 18.08 22.28 116.36 -155.41 -98.57 133.94 99.34 0.65 0.02 99.41 0.07 0.02 0.01 0.00 0.00 0.46 0.03