# 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 G C C 47.95 3.91 11.85 17.41 120.10 -142.77 93.63 137.47 99.89 0.10 0.01 99.68 0.19 0.06 0.00 0.00 0.00 0.05 0.01 1 K C C 165.65 1.42 9.81 12.26 111.41 -82.65 -90.30 123.76 92.22 4.57 3.20 70.14 4.33 17.65 0.72 2.45 0.00 3.12 1.59 2 G C C 57.13 1.99 8.63 12.16 113.21 19.75 89.00 165.70 89.70 7.00 3.31 43.30 21.85 24.91 0.41 3.31 0.00 4.42 1.81 3 K C C 161.95 1.58 8.47 11.24 109.30 -92.56 -91.04 106.53 84.05 10.57 5.37 48.87 20.10 15.19 0.79 5.11 0.00 6.76 3.17 4 G C C 55.15 2.30 8.82 12.60 114.30 45.07 95.72 -86.84 84.87 12.41 2.71 45.01 27.24 13.21 0.35 2.76 0.00 8.94 2.48 5 N C C 129.55 1.27 10.24 12.16 109.98 -55.93 -93.67 108.27 81.40 17.05 1.55 57.14 19.12 5.04 0.24 1.59 0.00 14.61 2.26 6 V C C 98.46 5.03 6.60 13.40 115.32 -150.63 -95.23 128.37 52.39 46.90 0.71 47.04 3.76 0.79 0.19 0.55 0.00 44.91 2.77 7 E C E 149.37 1.35 10.70 12.83 102.45 -171.38 -93.78 -25.13 51.02 48.49 0.49 26.36 23.80 1.76 0.07 0.38 0.00 47.00 0.62 8 Y E E 152.52 2.62 10.95 15.22 130.14 0.97 -139.00 149.21 15.12 84.40 0.48 11.30 3.49 0.76 0.10 0.30 0.00 83.70 0.35 9 W E E 164.76 4.69 9.99 16.92 125.13 -157.89 -122.20 142.44 8.61 91.15 0.24 7.95 0.68 0.12 0.07 0.09 0.00 90.79 0.29 10 V E E 97.73 5.12 10.83 18.07 122.39 -166.67 -123.04 140.30 6.68 93.23 0.10 6.18 0.54 0.08 0.04 0.04 0.00 92.83 0.31 11 A E E 57.57 6.18 12.70 20.77 129.43 -170.56 -134.03 145.64 9.03 90.92 0.04 8.17 0.71 0.07 0.01 0.02 0.00 90.82 0.20 12 L E E 115.65 3.61 15.97 20.91 113.82 -122.47 -87.55 129.39 10.97 89.00 0.03 10.50 0.48 0.05 0.01 0.02 0.00 88.57 0.37 13 I E E 49.17 16.05 8.34 23.87 119.00 -161.82 -108.95 133.47 30.34 69.64 0.02 30.72 0.57 0.02 0.01 0.01 0.00 62.86 5.82 14 Q C C 118.78 1.94 17.15 18.85 120.31 -147.04 -99.13 147.60 98.91 1.09 0.00 98.89 0.33 0.01 0.00 0.00 0.00 0.70 0.08 15 P C T 98.56 4.78 11.10 17.91 110.11 -84.43 -59.50 135.90 99.54 0.28 0.17 0.25 1.98 97.47 0.01 0.11 0.00 0.15 0.05 16 G C T 58.16 1.69 14.26 16.25 96.15 20.77 86.36 -4.96 99.57 0.31 0.12 0.44 2.18 97.03 0.00 0.09 0.00 0.23 0.01 17 K C C 117.20 3.78 13.40 18.95 117.61 120.02 -90.25 140.87 75.30 24.59 0.11 69.76 4.66 0.24 0.01 0.11 0.00 24.10 1.12 18 V E E 86.06 8.16 11.33 21.06 111.97 -127.09 -83.10 123.88 5.17 94.81 0.02 5.53 0.10 0.01 0.01 0.01 0.00 93.46 0.87 19 L E E 80.93 7.61 14.11 23.30 100.11 177.39 -90.12 -34.65 4.68 95.29 0.02 3.63 0.99 0.06 0.01 0.01 0.00 95.23 0.08 20 Y E E 91.01 8.15 15.26 25.13 137.68 -0.55 -153.35 150.13 1.36 98.63 0.01 1.21 0.11 0.01 0.00 0.00 0.00 98.59 0.06 21 E E E 111.65 6.87 15.08 24.06 125.59 -161.13 -128.62 136.29 2.13 97.84 0.04 2.13 0.07 0.01 0.02 0.01 0.00 97.61 0.15 22 M E E 64.10 13.01 11.16 24.75 117.69 -162.47 -113.29 124.17 22.79 77.09 0.12 22.16 0.58 0.10 0.05 0.06 0.00 76.33 0.72 23 D C E 108.04 2.61 13.99 18.33 119.39 -167.86 -108.47 141.96 52.71 47.00 0.29 12.46 12.14 28.20 0.02 0.29 0.00 46.42 0.48 24 G C T 64.57 0.72 15.75 14.87 95.22 19.11 81.94 0.07 87.20 12.66 0.14 9.58 35.03 41.52 0.00 0.17 0.00 13.44 0.26 25 V C C 43.60 12.85 7.18 20.31 119.49 125.38 -95.19 140.05 86.34 13.61 0.05 52.33 35.48 0.17 0.01 0.03 0.00 10.38 1.59 26 P C C 78.77 1.89 16.91 17.94 114.99 -106.61 -65.74 150.02 92.74 7.18 0.08 93.88 0.33 0.04 0.04 0.01 0.00 4.58 1.13 27 E H H 121.08 6.18 11.18 19.20 91.79 -113.34 -57.47 -38.97 1.65 0.00 98.34 0.31 0.18 0.92 98.02 0.56 0.00 0.00 0.00 28 E H H 135.33 1.10 16.31 16.24 91.51 54.12 -64.56 -39.91 0.81 0.00 99.19 0.12 0.06 0.52 98.64 0.67 0.00 0.00 0.00 29 L H H 79.27 3.69 15.93 20.43 92.23 48.46 -66.22 -40.45 0.34 0.00 99.66 0.07 0.02 0.18 99.12 0.60 0.00 0.00 0.00 30 A H H 19.40 12.86 12.13 26.40 91.61 51.81 -63.33 -42.20 0.17 0.00 99.83 0.03 0.01 0.08 99.77 0.11 0.00 0.00 0.00 31 R H H 120.19 4.56 18.08 23.43 91.61 50.71 -63.64 -41.30 0.15 0.00 99.85 0.02 0.00 0.08 99.86 0.04 0.00 0.00 0.00 32 E H H 105.64 1.83 20.24 20.53 91.54 49.83 -64.26 -41.67 0.15 0.00 99.85 0.01 0.00 0.10 99.85 0.03 0.00 0.00 0.00 33 A H H 36.23 7.52 16.96 25.98 91.92 50.26 -63.81 -41.71 0.20 0.00 99.80 0.02 0.00 0.14 99.79 0.05 0.00 0.00 0.00 34 F H H 67.65 12.24 15.90 28.57 92.00 50.57 -64.63 -41.09 0.17 0.00 99.83 0.01 0.00 0.11 99.80 0.07 0.00 0.00 0.00 35 K H H 125.26 2.76 19.25 22.27 91.88 50.88 -64.04 -40.80 0.17 0.00 99.83 0.01 0.00 0.12 99.78 0.08 0.00 0.00 0.00 36 L H H 91.07 2.29 19.07 20.53 92.15 49.33 -64.90 -41.69 0.29 0.00 99.71 0.02 0.01 0.20 99.63 0.14 0.00 0.00 0.00 37 A H H 29.93 9.79 14.29 25.67 91.97 50.69 -64.98 -40.24 0.82 0.00 99.18 0.05 0.03 0.61 98.91 0.40 0.00 0.00 0.00 38 A H H 41.99 9.90 12.87 24.07 91.63 54.99 -64.34 -36.14 6.17 0.01 93.83 0.22 0.19 5.63 91.02 2.92 0.00 0.00 0.00 39 A H H 85.10 1.32 16.17 16.85 91.08 56.32 -68.15 -24.47 37.15 0.02 62.83 0.34 0.55 37.87 58.79 2.42 0.01 0.01 0.01 40 K C T 145.91 2.05 14.49 16.63 95.70 51.18 -90.55 -6.66 54.47 0.05 45.48 0.71 1.67 52.29 42.93 2.34 0.01 0.02 0.04 41 L C S 51.16 14.52 6.47 20.14 118.76 95.51 -85.48 139.87 98.68 0.66 0.66 43.64 54.41 0.71 0.51 0.14 0.00 0.18 0.42 42 P C S 119.00 0.94 15.06 14.98 93.91 -132.09 -73.44 -13.58 98.13 0.73 1.14 25.57 58.58 14.04 0.30 0.84 0.00 0.47 0.19 43 I C S 85.73 6.03 10.16 18.21 128.67 58.86 -120.94 152.29 89.75 7.35 2.90 14.91 63.98 11.24 1.02 1.62 0.00 6.41 0.80 44 K C C 153.85 1.69 16.06 17.93 112.05 -103.65 -77.77 134.46 62.04 34.79 3.17 54.77 4.07 2.09 0.85 2.13 0.00 35.22 0.87 45 T E E 57.56 15.23 8.05 22.37 127.06 -168.83 -122.00 144.73 29.53 69.19 1.28 28.03 1.32 0.42 0.71 0.53 0.00 67.78 1.21 46 T E E 86.91 2.73 16.72 20.42 124.47 -167.67 -124.88 142.04 15.87 83.21 0.92 14.47 0.98 0.31 0.56 0.31 0.00 82.80 0.57 47 F E E 118.50 8.74 10.87 21.05 116.43 -136.79 -95.19 129.95 17.80 81.09 1.11 16.45 0.93 0.33 0.71 0.35 0.00 80.65 0.58 48 V E E 86.65 4.85 11.30 18.10 119.35 -166.09 -113.34 131.60 35.71 62.94 1.35 32.27 2.07 0.59 0.78 0.49 0.00 63.03 0.77 49 T C E 96.27 3.41 9.87 15.48 121.03 -164.20 -115.02 137.28 49.45 48.62 1.92 42.41 4.43 1.35 0.91 0.82 0.00 49.29 0.79 50 K C C 145.25 2.81 9.22 13.92 118.89 -161.62 -113.19 133.82 62.20 35.34 2.46 46.09 11.95 3.14 0.83 1.32 0.00 35.89 0.77 51 T C C 101.50 2.37 8.13 12.42 118.48 -155.61 -107.52 134.35 65.75 32.02 2.23 52.86 8.73 2.70 0.75 1.26 0.00 32.53 1.16 52 V C C 117.68 2.02 7.16 11.03 114.32 -148.66 -99.77 128.92 73.77 25.22 1.01 71.18 1.19 1.01 0.42 0.41 0.00 23.89 1.90 53 M C C 138.40 2.54 9.27 13.40 112.05 -142.28 -88.95 127.49 99.66 0.33 0.01 99.67 0.06 0.02 0.00 0.00 0.00 0.23 0.01