# 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 129.15 3.36 10.70 15.64 117.62 -158.39 -97.84 137.78 99.80 0.19 0.02 99.72 0.12 0.04 0.01 0.00 0.00 0.10 0.02 1 A C C 83.66 2.81 7.72 12.45 114.33 -123.84 -83.35 135.21 86.08 10.94 2.97 83.01 1.60 1.86 1.60 0.93 0.00 6.87 4.14 2 V C C 115.63 2.01 6.99 10.80 115.63 -147.17 -97.94 132.65 79.60 15.32 5.08 62.96 11.91 3.93 2.68 2.52 0.01 10.14 5.86 3 Q C C 134.84 2.18 7.27 11.30 114.02 -128.25 -88.60 132.62 80.60 12.59 6.81 67.22 7.86 4.95 2.75 4.01 0.00 9.21 4.00 4 Q C C 138.61 1.93 8.04 11.65 112.33 -141.74 -86.92 128.84 85.85 7.43 6.71 55.17 17.80 13.15 2.14 4.39 0.00 5.02 2.32 5 N C C 126.68 1.84 8.41 11.61 109.22 -147.56 -92.91 98.09 88.30 7.11 4.59 49.50 26.60 12.67 1.25 3.26 0.00 4.34 2.37 6 K C C 139.15 2.54 8.84 13.31 117.85 101.25 -98.86 137.41 92.13 6.80 1.07 63.85 27.66 1.30 0.57 0.46 0.00 3.35 2.80 7 P C C 82.11 4.82 8.58 15.42 114.58 -108.01 -67.63 148.16 93.39 4.46 2.15 85.86 5.84 1.59 1.50 0.65 0.00 2.28 2.29 8 T C C 73.85 3.33 9.89 14.91 117.09 -114.92 -77.21 159.89 92.52 2.90 4.57 84.74 5.90 1.43 4.01 0.72 0.00 0.99 2.20 9 R H H 182.95 1.14 10.16 12.04 92.53 -107.85 -59.66 -35.17 30.46 0.81 68.73 8.02 6.25 16.43 54.30 14.05 0.14 0.44 0.37 10 S H H 81.84 1.16 10.46 11.87 92.76 55.61 -67.91 -35.63 30.13 0.94 68.94 7.31 5.25 17.39 54.52 14.50 0.12 0.60 0.32 11 K H H 118.81 3.28 10.03 14.75 95.57 49.80 -71.58 -29.50 24.32 1.58 74.10 9.84 5.05 10.20 56.43 16.92 0.10 1.00 0.47 12 R H H 140.31 3.38 10.16 15.20 95.25 66.62 -67.45 -34.20 26.13 1.13 72.73 6.94 4.30 15.49 62.78 9.22 0.17 0.72 0.39 13 G H H 52.58 1.59 11.94 13.83 95.65 45.09 -65.36 -20.71 38.56 0.88 60.56 8.27 5.26 24.99 52.70 7.75 0.14 0.53 0.37 14 M H H 116.57 3.01 10.72 15.04 99.68 66.47 -79.05 -20.78 40.50 2.23 57.27 22.68 8.41 11.31 48.44 7.07 0.06 1.24 0.78 15 R H H 143.55 4.01 10.23 15.90 104.59 78.86 -81.85 24.71 44.00 5.48 50.51 27.01 8.27 10.56 43.00 6.13 0.08 3.11 1.84 16 R C H 157.09 2.64 11.44 15.24 102.77 56.77 -84.31 15.20 53.31 4.55 42.13 34.85 8.39 10.81 36.34 5.42 0.04 2.50 1.65 17 S C H 66.98 3.63 11.04 16.05 106.31 93.77 -83.66 45.21 54.24 2.06 43.69 35.86 9.42 9.75 37.27 5.82 0.02 1.04 0.83 18 H H H 123.31 4.29 10.87 16.59 99.00 -115.27 -72.75 -25.24 41.65 1.54 56.81 18.44 8.97 15.55 43.15 12.33 0.09 0.85 0.63 19 D H H 101.61 2.44 12.46 15.85 96.14 62.19 -72.24 -25.42 41.50 1.39 57.10 17.06 8.45 16.80 43.09 13.17 0.10 0.75 0.58 20 A H H 64.37 3.76 11.56 16.72 94.74 60.52 -72.53 -24.43 43.29 2.32 54.39 23.20 8.10 13.37 41.28 11.78 0.07 1.34 0.86 21 L C H 87.73 6.82 10.00 18.21 98.71 65.40 -76.71 -19.53 48.66 4.83 46.51 32.19 8.65 9.84 37.11 7.68 0.08 2.75 1.70 22 T C C 91.30 3.78 12.67 17.65 99.73 74.49 -80.72 -18.81 57.38 4.05 38.57 35.00 10.42 12.78 31.92 6.10 0.05 2.34 1.39 23 A C C 74.60 3.21 12.98 17.27 104.19 65.06 -83.38 13.42 68.61 3.45 27.94 38.08 17.45 13.24 22.09 5.90 0.03 1.90 1.30 24 V C C 86.47 6.40 10.99 18.74 107.13 62.78 -87.98 71.89 77.12 4.83 18.05 56.90 11.25 8.63 13.54 4.93 0.01 2.99 1.76 25 T C C 85.55 5.94 12.23 19.50 107.58 85.70 -95.35 42.39 81.47 8.07 10.46 61.38 11.88 8.14 6.61 3.92 0.01 6.21 1.87 26 S C C 69.68 4.05 14.73 19.84 110.96 89.06 -95.63 113.28 76.73 18.03 5.24 58.30 10.41 7.43 1.81 3.13 0.00 17.26 1.64 27 L C C 84.73 10.20 11.45 22.55 118.67 -148.83 -93.81 136.95 52.42 47.13 0.46 47.14 3.93 0.58 0.15 0.30 0.00 46.76 1.13 28 S E E 50.79 5.88 16.15 23.51 132.89 172.48 -130.54 160.29 9.74 90.05 0.20 8.67 1.17 0.22 0.09 0.12 0.00 89.02 0.73 29 V E E 88.05 6.00 14.28 21.96 118.29 -115.29 -100.79 134.12 3.65 96.26 0.09 3.42 0.26 0.03 0.10 0.03 0.00 86.63 9.52 30 D C C 33.56 12.17 8.31 21.81 109.13 -117.67 -75.96 123.06 84.29 15.68 0.03 84.38 0.56 0.08 0.01 0.01 0.00 14.15 0.80 31 K C T 165.81 1.11 13.21 14.52 93.35 -150.34 -68.09 -24.89 99.79 0.10 0.11 0.56 5.13 94.12 0.01 0.09 0.00 0.07 0.01 32 T C T 104.77 1.47 12.24 14.04 98.43 45.19 -79.09 -38.60 99.87 0.04 0.10 0.11 2.77 97.03 0.00 0.06 0.00 0.02 0.01 33 S C T 59.61 3.85 11.21 16.64 101.29 23.11 -104.47 -16.09 99.83 0.07 0.09 0.70 4.39 94.79 0.00 0.08 0.00 0.04 0.01 34 G C C 50.55 2.88 12.36 16.77 95.26 -122.68 79.21 6.70 99.28 0.67 0.05 87.49 7.95 3.86 0.01 0.05 0.00 0.36 0.28 35 E C C 92.44 4.35 12.94 19.28 119.61 138.88 -80.91 148.34 95.15 4.84 0.01 92.38 2.94 0.08 0.00 0.01 0.00 4.32 0.28 36 K E E 124.01 5.09 15.73 22.37 115.77 -115.42 -84.31 135.84 2.79 97.20 0.01 2.77 0.15 0.01 0.00 0.00 0.00 94.88 2.18 37 H E E 44.69 14.01 11.73 26.51 131.41 176.22 -133.32 154.98 3.06 96.94 0.01 3.01 0.12 0.00 0.00 0.00 0.00 96.06 0.81 38 L E E 75.23 5.74 18.02 24.67 117.10 -103.83 -73.95 150.08 47.53 51.93 0.55 42.44 2.60 1.13 0.04 0.66 0.00 51.95 1.19 39 R C T 114.78 9.60 15.42 25.69 108.05 -88.72 -61.84 139.26 93.55 4.28 2.18 5.64 17.04 70.59 0.10 2.45 0.00 3.69 0.50 40 H C T 111.59 7.71 17.20 25.66 94.23 15.07 70.65 14.52 93.96 3.89 2.14 7.40 17.63 68.32 0.09 2.62 0.00 3.58 0.37 41 H C C 76.73 8.32 17.37 26.98 126.87 108.86 -113.38 146.93 64.98 33.93 1.09 44.27 18.69 3.32 0.19 1.15 0.00 28.18 4.22 42 I E E 62.29 11.33 14.89 27.47 117.95 -130.70 -98.05 133.85 28.83 70.97 0.20 25.51 1.87 0.21 0.12 0.09 0.00 36.97 35.23 43 T C C 29.70 10.48 13.45 25.78 124.88 -139.19 -88.77 167.66 75.97 23.87 0.16 73.70 1.88 0.36 0.05 0.11 0.00 19.95 3.96 44 A C T 82.07 3.98 14.56 19.87 90.75 -103.06 -62.87 -24.03 95.96 3.26 0.78 2.77 13.15 80.10 0.05 0.79 0.00 2.72 0.42 45 D C T 103.71 2.21 15.44 17.93 94.71 54.19 -89.88 -0.92 97.49 1.71 0.81 2.01 13.97 81.63 0.04 0.81 0.00 1.30 0.22 46 G C S 23.52 10.03 13.72 24.97 109.26 -98.78 93.93 4.13 71.89 26.95 1.17 28.52 39.93 5.08 0.21 1.08 0.00 21.89 3.29 47 Y E E 92.04 7.88 14.40 23.84 120.78 124.70 -97.67 144.35 43.72 55.72 0.55 36.83 4.56 1.02 0.26 0.34 0.00 41.90 15.09 48 Y E E 78.87 11.41 11.33 23.91 116.86 -155.46 -112.22 122.70 46.53 52.39 1.08 37.48 5.51 1.95 0.51 0.71 0.01 40.75 13.08 49 R C T 162.34 3.76 13.85 19.07 98.99 -102.97 39.54 58.34 80.53 16.27 3.20 12.65 11.11 57.39 0.66 2.43 0.01 13.69 2.06 50 G C T 60.41 1.82 13.23 15.64 96.79 -41.75 80.51 1.04 91.02 5.67 3.31 9.05 17.22 64.81 0.49 2.93 0.00 4.82 0.68 51 R C C 138.45 3.39 11.79 17.16 122.91 109.69 -108.42 146.13 63.50 32.21 4.29 34.91 22.49 8.35 1.26 3.02 0.03 26.83 3.09 52 K E E 141.90 3.32 13.28 18.20 111.44 -109.79 -75.70 130.20 39.61 58.76 1.62 33.90 3.41 1.33 0.85 0.89 0.00 53.91 5.71 53 V E E 71.28 9.59 9.89 20.36 108.38 -162.00 -95.79 53.79 40.16 58.03 1.80 32.99 5.64 1.65 0.95 0.95 0.00 54.12 3.70 54 I E E 98.39 5.90 9.77 17.20 116.79 46.18 -107.42 127.51 48.04 50.03 1.93 38.51 7.11 2.32 0.93 1.10 0.01 46.64 3.38 55 A C C 80.34 2.92 9.55 14.30 115.99 -150.30 -94.94 135.55 70.69 28.34 0.97 66.29 2.08 1.33 0.35 0.49 0.00 27.76 1.69 56 K C C 156.61 2.45 11.66 15.73 109.65 -106.45 -79.66 123.46 99.44 0.53 0.03 99.27 0.21 0.08 0.01 0.01 0.00 0.40 0.03