# 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 104.36 7.23 14.91 23.12 118.21 -157.61 -99.46 132.57 99.62 0.36 0.02 99.56 0.15 0.04 0.01 0.00 0.00 0.19 0.04 1 F C C 103.90 9.34 10.44 20.70 116.11 -151.34 -96.60 133.00 86.15 11.00 2.85 83.32 1.63 1.28 2.36 0.50 0.00 4.57 6.33 2 T C C 67.94 5.36 12.19 19.11 118.63 -150.99 -92.93 154.18 80.62 3.42 15.96 63.85 11.31 4.04 16.16 1.59 0.00 1.64 1.41 3 P H H 93.83 3.40 13.56 18.00 95.33 -107.48 -63.57 -31.12 47.11 1.39 51.49 19.73 8.01 19.45 48.49 3.04 0.05 0.73 0.51 4 S H H 51.85 6.51 13.95 21.66 96.31 55.54 -70.36 -35.45 34.63 1.42 63.95 17.03 5.11 13.96 59.35 3.21 0.04 0.79 0.51 5 L H H 59.58 10.26 13.26 24.46 93.58 54.82 -66.25 -39.27 4.97 0.26 94.78 2.87 0.91 1.84 92.50 1.66 0.01 0.17 0.05 6 A H H 56.46 3.64 16.66 20.98 92.32 53.50 -64.69 -40.83 1.65 0.14 98.21 0.73 0.25 0.78 97.12 0.98 0.00 0.11 0.01 7 L H H 83.30 3.95 17.57 22.03 92.47 50.38 -65.47 -41.50 1.12 0.11 98.77 0.37 0.14 0.63 97.93 0.82 0.00 0.10 0.01 8 W H H 80.53 11.12 15.94 27.80 92.63 50.37 -65.22 -41.35 0.91 0.06 99.03 0.27 0.11 0.53 98.54 0.49 0.00 0.05 0.01 9 S H H 39.96 8.80 16.36 26.45 92.20 52.27 -63.64 -41.24 0.83 0.03 99.14 0.18 0.09 0.52 98.94 0.24 0.00 0.02 0.00 10 Q H H 96.78 2.53 19.35 21.29 92.13 50.62 -65.29 -40.78 0.92 0.03 99.06 0.15 0.09 0.67 98.80 0.27 0.00 0.02 0.00 11 F H H 74.31 7.20 16.88 25.42 92.32 50.62 -64.87 -41.91 0.96 0.03 99.01 0.15 0.09 0.73 98.67 0.33 0.00 0.02 0.00 12 L H H 43.76 13.56 13.98 28.05 92.68 50.65 -65.18 -39.69 1.19 0.03 98.78 0.15 0.10 0.96 98.30 0.46 0.01 0.02 0.00 13 K H H 120.58 5.04 16.27 22.46 92.18 53.30 -65.39 -34.65 4.18 0.05 95.77 0.31 0.26 3.77 94.71 0.89 0.03 0.03 0.02 14 R H H 152.99 2.14 17.23 19.19 94.97 47.81 -74.50 -31.40 11.28 0.09 88.63 0.59 0.66 10.27 87.30 1.03 0.06 0.04 0.04 15 T H H 60.21 8.60 14.81 24.38 102.36 35.29 -100.60 -16.39 26.12 1.23 72.65 3.49 3.68 19.89 69.83 1.63 0.32 0.70 0.47 16 F C C 71.20 13.64 10.91 24.51 111.49 68.13 -98.95 107.86 56.30 24.51 19.19 32.29 13.10 11.24 16.72 3.19 0.39 16.09 6.98 17 V C C 95.53 4.53 13.94 19.94 113.34 -164.83 -96.28 124.85 54.27 29.72 16.01 26.85 11.42 17.42 11.67 4.61 0.41 18.81 8.81 18 G C T 50.71 3.56 14.05 18.84 112.84 11.38 93.79 -12.43 70.55 13.81 15.64 22.17 17.25 32.86 7.69 7.00 0.22 9.53 3.27 19 G C T 43.41 5.86 12.36 19.61 115.67 -58.26 92.58 -171.00 76.15 7.85 16.00 24.24 21.36 32.39 5.78 8.91 0.10 4.85 2.38 20 M C T 120.35 5.04 11.62 18.12 107.61 -61.49 -88.18 64.82 70.58 11.59 17.83 25.87 20.23 26.43 6.55 9.82 0.27 6.45 4.37 21 G C C 41.57 5.91 11.47 18.76 111.43 50.17 66.53 -148.36 71.71 9.76 18.54 32.59 18.66 22.09 5.56 11.82 0.08 5.85 3.33 22 Y C T 166.68 3.16 11.75 16.18 101.41 -57.14 -81.66 -7.96 70.29 9.08 20.63 20.88 20.01 31.18 6.26 12.80 0.17 5.98 2.72 23 N C T 115.68 2.64 12.31 15.92 102.31 53.15 -91.83 23.43 71.57 11.08 17.35 25.94 18.97 28.45 5.44 10.74 0.17 7.58 2.70 24 V C C 74.22 8.47 8.18 17.72 113.06 126.17 -92.09 129.87 72.99 17.09 9.92 44.81 17.72 10.45 5.00 4.96 0.06 11.43 5.56 25 K C C 156.52 1.87 13.29 15.74 102.18 -155.92 -87.90 9.37 81.20 13.19 5.61 48.75 23.28 9.56 2.85 2.76 0.02 9.52 3.25 26 R C C 131.91 5.06 12.42 19.10 120.59 61.43 -108.29 137.74 85.02 11.20 3.78 43.77 37.54 4.54 2.12 1.52 0.01 8.34 2.15 27 P C C 74.56 7.27 13.71 22.28 112.21 -109.51 -70.21 143.17 82.71 10.62 6.67 58.74 14.92 8.82 3.67 2.91 0.00 9.61 1.32 28 Y C E 86.07 12.18 12.19 25.07 123.25 -161.91 -115.96 141.97 45.90 44.28 9.83 31.18 10.05 5.82 6.13 4.12 0.07 39.83 2.81 29 R E E 123.37 6.41 16.91 24.66 120.94 -152.16 -111.26 133.60 29.11 62.98 7.91 22.68 4.05 2.34 5.93 2.42 0.04 60.46 2.07 30 I E E 50.39 15.02 12.49 27.90 120.58 -161.69 -113.53 130.51 21.12 71.39 7.49 17.39 1.99 1.13 6.27 1.48 0.02 70.70 1.02 31 E E E 94.94 5.95 18.24 25.22 116.99 -160.26 -105.62 127.87 18.28 73.48 8.24 14.47 1.79 1.13 6.89 1.41 0.01 73.57 0.72 32 I E E 57.81 13.63 12.14 26.23 119.08 -163.13 -109.66 130.83 16.19 70.61 13.20 12.33 1.73 1.42 11.12 2.17 0.01 70.51 0.72 33 R E E 122.44 5.56 15.82 22.63 119.06 -164.52 -109.31 131.69 17.62 67.94 14.44 12.94 2.18 1.92 12.01 2.56 0.02 67.53 0.84 34 M E E 80.04 9.49 11.38 21.97 119.77 -156.66 -105.54 137.11 22.35 60.38 17.28 16.04 3.30 2.89 13.75 3.70 0.05 59.12 1.14 35 E E E 102.17 5.14 12.68 19.35 115.02 -148.10 -96.57 134.82 30.40 52.27 17.33 20.48 5.02 4.64 13.34 4.08 0.10 50.90 1.45 36 H C E 110.80 5.25 9.55 16.45 113.80 -146.32 -96.90 128.12 42.80 40.26 16.94 25.48 9.18 8.42 12.03 4.60 0.23 37.91 2.15 37 D C C 82.32 4.17 8.78 14.68 112.78 100.23 -97.02 130.54 65.71 19.69 14.60 42.97 11.72 10.23 11.22 3.60 0.05 18.49 1.71 38 K C T 164.34 1.25 8.90 11.01 96.52 -123.89 -69.71 -19.77 72.34 3.75 23.91 20.74 15.27 36.49 17.43 6.24 0.10 2.85 0.88 39 K C T 162.01 0.89 9.15 10.02 99.21 52.56 -85.02 -8.39 73.47 2.19 24.34 17.59 16.00 40.13 17.44 6.65 0.08 1.43 0.67 40 R C C 150.86 3.42 8.38 13.40 104.82 34.98 -87.17 49.18 67.93 9.42 22.65 27.09 16.69 24.85 15.31 6.80 0.13 7.70 1.43 41 R C C 160.62 2.54 9.87 14.03 110.08 -138.88 -89.68 110.61 52.25 29.35 18.40 32.17 9.91 10.74 13.85 4.57 0.10 26.24 2.42 42 M E E 99.97 6.44 8.73 16.86 118.16 -153.28 -102.99 134.48 41.71 42.30 15.99 29.02 7.15 5.59 12.66 3.62 0.06 39.54 2.37 43 R E E 149.92 3.38 11.78 16.84 116.76 -155.35 -100.59 135.43 39.23 45.73 15.04 27.17 6.74 5.27 11.94 3.36 0.05 43.47 2.00 44 R E E 136.61 6.75 10.62 18.86 116.62 -146.85 -100.87 131.72 40.01 44.30 15.69 27.92 6.99 5.15 12.52 3.48 0.05 41.94 1.95 45 R C E 131.34 5.68 12.39 19.71 121.33 -165.12 -111.95 138.57 44.24 40.83 14.93 29.69 8.25 6.16 11.88 3.17 0.05 39.08 1.72 46 N C E 95.40 6.34 13.13 20.92 112.84 -134.77 -92.27 122.50 49.35 37.24 13.41 34.81 7.81 6.23 10.70 3.00 0.04 35.51 1.89 47 I C E 76.81 9.53 12.04 22.84 117.52 -169.03 -107.92 130.72 45.04 36.44 18.51 30.57 7.31 7.21 15.65 3.30 0.09 33.34 2.53 48 G C C 34.29 7.69 14.98 23.63 120.60 -159.54 -119.23 161.25 51.78 29.27 18.95 31.58 11.03 9.87 14.98 3.98 0.10 26.17 2.29 49 C C C 62.45 9.98 12.14 22.97 118.41 -142.61 -103.79 138.73 49.03 23.23 27.74 32.31 9.87 7.49 21.38 6.12 0.11 20.12 2.60 50 R C C 132.23 5.87 12.94 20.24 117.48 -159.79 -103.72 136.18 43.71 20.25 36.05 26.67 9.85 8.89 26.00 8.91 0.21 16.79 2.68 51 R C C 141.86 5.70 11.29 18.45 114.60 -133.23 -91.22 131.30 44.25 17.76 37.99 26.22 9.52 10.25 25.83 10.88 0.21 14.66 2.42 52 M C C 116.97 5.03 9.59 16.28 113.19 -137.86 -89.37 128.73 48.10 16.94 34.96 28.45 9.72 11.61 23.55 10.26 0.17 13.70 2.53 53 M C C 126.43 3.73 8.06 13.67 111.60 -145.84 -90.17 128.31 56.87 18.74 24.39 35.06 10.57 12.08 17.44 6.73 0.11 14.62 3.39 54 K C C 156.63 1.85 8.38 11.91 111.96 -147.91 -91.35 125.58 77.52 12.71 9.76 66.38 2.42 8.31 7.74 1.92 0.00 10.46 2.76 55 S C C 85.49 2.59 9.97 14.31 113.59 -129.75 -90.77 135.49 99.81 0.14 0.05 99.57 0.17 0.13 0.03 0.00 0.00 0.08 0.01