# 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 130.84 3.40 10.96 16.21 115.06 99.48 -99.06 130.40 99.21 0.75 0.04 99.00 0.28 0.09 0.01 0.01 0.00 0.52 0.09 1 G C C 52.16 2.66 10.36 14.55 121.61 -123.78 -114.92 168.96 87.21 12.39 0.40 83.29 2.20 1.73 0.13 0.23 0.00 10.85 1.58 2 K C C 161.60 1.55 9.95 12.81 114.97 -90.01 -95.27 134.65 71.36 27.68 0.96 56.67 11.14 2.98 0.32 0.71 0.00 23.97 4.21 3 V C C 99.81 4.81 7.78 14.57 118.28 -140.09 -104.73 131.69 63.37 35.20 1.43 53.98 6.60 1.99 0.69 0.81 0.00 29.00 6.92 4 H C C 141.23 2.57 10.54 14.70 115.16 -163.18 -100.75 133.88 65.75 31.58 2.67 45.21 11.57 9.96 0.96 1.78 0.01 26.36 4.14 5 G C S 48.35 3.60 12.71 17.44 116.38 5.04 109.20 -24.45 87.22 8.75 4.04 27.84 40.65 19.43 1.68 2.25 0.01 6.45 1.69 6 S C C 55.08 4.77 12.73 18.94 122.15 -44.57 -101.97 154.28 86.40 6.05 7.55 61.09 21.07 3.48 5.28 2.36 0.01 2.26 4.45 7 L H G 98.13 6.40 11.32 19.26 93.51 -116.27 -63.26 -31.12 23.90 0.71 75.39 4.41 4.01 15.15 25.17 50.53 0.04 0.45 0.24 8 A H G 68.33 3.94 12.79 18.11 92.31 62.24 -66.81 -29.25 20.46 0.92 78.62 3.30 2.70 13.43 26.73 52.93 0.06 0.62 0.22 9 R H G 152.80 2.58 13.34 16.74 95.49 52.78 -81.67 -14.02 20.49 1.41 78.10 4.56 3.45 11.92 26.81 51.92 0.06 0.96 0.33 10 A C T 52.94 7.48 9.21 18.08 99.29 80.44 -78.03 -3.66 52.35 3.10 44.54 10.65 12.58 28.28 25.98 18.22 0.65 1.50 2.15 11 G C T 50.98 3.19 12.96 17.23 100.66 -112.29 72.04 4.27 72.67 2.52 24.81 15.55 12.55 43.91 9.67 15.36 0.10 1.35 1.51 12 K C C 137.24 3.02 11.58 15.92 100.79 99.88 -86.64 -2.66 67.13 6.91 25.96 30.37 14.85 23.00 9.09 15.70 0.19 3.43 3.36 13 V C C 81.00 5.94 7.93 15.49 111.73 87.02 -99.32 106.63 61.97 15.15 22.88 31.66 16.05 14.83 9.64 12.02 0.42 6.27 9.11 14 R C T 185.00 1.37 10.05 12.52 107.29 -115.47 -71.77 119.77 79.50 5.70 14.80 12.57 11.76 54.40 6.14 8.54 0.08 3.28 3.22 15 G C T 66.17 0.67 10.90 11.13 98.03 -0.12 77.32 2.87 88.87 1.43 9.70 10.96 15.10 62.67 2.63 7.10 0.00 0.89 0.66 16 Q C C 131.46 1.97 9.60 12.99 105.63 96.39 -95.14 16.39 87.95 5.10 6.95 52.23 23.82 11.44 2.13 4.73 0.00 2.04 3.59 17 T C C 84.06 4.47 7.85 14.29 118.31 81.90 -101.46 137.01 94.83 3.76 1.41 73.27 19.93 1.30 0.96 0.51 0.00 1.57 2.47 18 P C C 89.65 3.61 9.81 15.22 113.39 -106.37 -67.87 149.81 92.58 1.95 5.47 69.18 14.02 9.13 3.61 2.06 0.00 1.18 0.81 19 K C C 164.84 1.29 10.22 12.59 112.93 -119.00 -84.76 133.61 86.81 6.79 6.40 64.61 14.80 6.45 4.32 2.34 0.00 3.35 4.14 20 V C C 93.95 4.98 6.97 13.79 117.58 -152.92 -101.64 135.34 85.03 7.63 7.34 74.74 7.76 1.70 6.07 1.55 0.00 3.76 4.43 21 A C C 74.22 2.14 9.69 13.12 114.48 -112.29 -72.47 148.08 86.92 2.98 10.10 82.21 3.35 2.04 7.33 2.21 0.00 1.75 1.13 22 K C C 162.84 1.43 8.57 11.26 103.63 -110.64 -71.60 8.51 69.48 2.69 27.83 51.78 9.82 7.94 17.37 10.44 0.01 1.46 1.19 23 Q C C 130.46 2.05 8.12 11.71 109.85 63.56 -90.69 117.22 67.15 2.49 30.36 46.73 11.42 9.23 18.15 12.04 0.01 1.32 1.09 24 D C C 106.10 2.61 8.26 12.51 108.22 -112.50 -84.73 115.08 68.66 2.17 29.17 52.19 8.97 7.61 17.18 11.91 0.01 1.11 1.03 25 K C C 143.33 2.72 7.65 12.03 104.90 -161.41 -89.62 36.06 75.96 1.48 22.56 57.93 10.26 7.95 15.27 7.06 0.00 0.69 0.83 26 K C C 149.84 1.93 7.85 11.33 108.50 88.04 -84.58 115.07 85.77 1.34 12.90 65.83 11.11 8.81 8.41 4.36 0.00 0.62 0.86 27 K C C 163.23 1.27 8.65 10.77 107.42 -144.50 -88.11 76.28 92.96 1.56 5.48 66.33 20.65 5.81 3.35 2.02 0.00 0.63 1.21 28 Q C C 124.82 2.47 8.00 12.27 115.52 -134.37 -95.00 132.60 98.16 0.95 0.89 75.12 22.19 0.85 0.63 0.25 0.00 0.37 0.59 29 P C C 95.42 3.19 8.14 13.28 111.15 -110.12 -66.98 144.56 92.92 1.07 6.01 78.84 7.11 6.85 4.33 1.67 0.00 0.51 0.70 30 R C C 174.76 1.69 8.49 11.62 113.52 -144.86 -94.68 128.03 88.73 1.89 9.38 68.72 11.14 8.28 7.36 2.26 0.00 0.76 1.49 31 G C C 45.62 2.50 10.01 13.63 116.32 26.58 28.06 -155.18 61.89 1.91 36.20 40.47 15.70 6.61 31.71 3.63 0.01 0.74 1.14 32 R H H 162.77 1.62 10.88 13.00 96.36 -61.70 -69.22 -31.71 23.98 0.94 75.09 15.71 4.49 6.28 66.45 6.21 0.02 0.48 0.34 33 A H H 56.96 3.45 9.79 15.03 93.96 57.29 -65.23 -38.97 15.07 1.21 83.72 9.77 2.77 4.65 74.33 7.32 0.04 0.75 0.36 34 H H H 113.83 2.60 11.11 14.86 93.02 52.42 -66.04 -37.85 7.86 1.19 90.95 4.57 1.69 2.94 82.04 7.58 0.06 0.86 0.25 35 K H H 133.20 1.52 12.33 14.04 93.03 51.86 -66.51 -37.86 7.39 1.30 91.31 3.58 1.48 3.33 83.88 6.39 0.10 0.95 0.30 36 R H H 143.77 1.95 11.54 14.23 93.49 52.33 -71.35 -31.21 9.68 1.41 88.91 4.24 1.52 4.71 81.55 6.41 0.13 1.06 0.38 37 I H H 97.46 3.39 10.34 15.18 95.07 55.84 -73.70 -23.71 15.74 1.24 83.03 6.91 2.18 7.43 76.39 5.68 0.13 0.79 0.49 38 Q H H 119.29 2.06 11.23 14.11 96.76 68.08 -73.39 -24.15 27.24 1.20 71.56 10.71 3.49 13.61 66.25 4.65 0.07 0.63 0.59 39 Y H H 154.76 1.98 10.23 13.09 103.16 52.83 -87.38 16.56 40.49 1.76 57.75 16.69 7.28 18.14 52.06 4.09 0.09 0.79 0.86 40 N C H 94.90 3.42 9.60 14.55 105.48 85.31 -91.04 61.22 49.33 1.95 48.73 28.53 7.28 14.09 43.49 4.72 0.03 0.99 0.88 41 R H H 157.03 2.70 9.97 14.17 98.49 148.95 -76.19 -14.41 43.45 2.15 54.39 22.10 6.61 15.13 43.89 10.14 0.05 1.29 0.80 42 R H H 161.77 1.89 10.64 13.52 98.13 67.36 -76.65 -22.60 42.51 3.51 53.98 22.05 6.65 13.86 43.33 10.66 0.06 2.42 0.97 43 F H H 135.73 3.10 9.72 14.24 101.82 52.98 -89.28 -9.36 37.55 9.98 52.46 23.25 6.41 8.94 42.45 9.30 0.13 7.56 1.95 44 V H H 99.08 3.79 9.40 14.72 104.58 71.60 -86.95 2.46 37.67 14.00 48.32 23.68 6.92 8.07 41.71 5.85 0.19 11.45 2.13 45 T C H 102.56 1.96 11.14 13.97 104.94 56.84 -92.43 15.35 46.96 14.65 38.39 28.49 7.97 10.38 33.51 5.12 0.19 12.37 1.99 46 A C C 74.50 3.40 9.52 14.60 110.18 90.37 -90.89 119.10 57.97 15.05 26.98 40.80 9.84 6.67 23.87 3.91 0.13 12.36 2.43 47 V C C 100.68 3.65 8.75 14.26 115.15 -155.29 -95.86 124.61 64.26 18.99 16.75 51.40 7.29 3.88 15.64 2.37 0.05 13.68 5.69 48 V C C 113.65 2.21 8.90 12.79 112.14 -154.93 -94.95 125.63 71.34 14.38 14.28 46.87 13.06 10.59 12.24 3.11 0.07 10.17 3.88 49 G C C 52.24 2.20 9.30 12.93 117.91 22.59 121.41 166.91 82.82 8.89 8.29 42.11 22.77 19.00 4.52 3.48 0.03 5.69 2.40 50 F C T 174.67 1.15 8.56 10.59 108.55 -45.13 -74.58 114.10 86.31 4.60 9.09 21.84 19.46 45.68 3.47 5.01 0.02 2.82 1.70 51 G C T 60.78 1.41 10.08 12.16 104.36 0.33 83.89 0.34 89.96 4.50 5.54 23.31 23.02 44.26 1.28 3.96 0.00 3.02 1.15 52 K C C 138.54 2.86 9.05 13.89 115.92 121.08 -91.61 137.07 86.47 9.39 4.13 61.78 18.35 5.92 1.25 3.02 0.00 5.93 3.75 53 K C C 143.87 2.97 9.83 14.69 114.65 -131.32 -88.85 135.93 83.69 13.89 2.42 72.59 6.99 3.15 1.02 1.42 0.00 8.03 6.80 54 R C C 159.35 3.35 9.98 15.22 112.71 -143.93 -97.07 132.38 87.40 11.06 1.54 68.14 15.61 2.91 0.64 0.95 0.00 5.59 6.14 55 G C C 35.54 4.80 10.15 16.58 126.17 -111.76 -95.62 175.24 94.68 3.04 2.28 62.09 27.37 5.06 0.67 1.62 0.00 1.48 1.71 56 P C T 106.69 2.08 11.24 14.05 98.77 -67.70 -66.07 -17.86 83.71 1.37 14.91 21.89 14.00 47.61 2.27 12.82 0.00 0.73 0.67 57 N C T 110.68 2.81 9.48 13.58 99.09 49.72 -87.63 13.67 80.52 1.81 17.67 24.54 12.65 43.33 2.93 14.71 0.01 0.94 0.90 58 S C C 70.00 4.69 7.82 14.18 100.99 118.68 -80.83 -1.40 71.47 2.41 26.12 29.86 13.97 28.02 4.06 21.70 0.02 1.20 1.17 59 S C C 89.25 1.65 9.04 11.81 101.83 71.17 -89.89 9.72 74.02 3.10 22.89 31.18 14.64 28.90 4.23 18.08 0.02 1.63 1.32 60 E C C 129.91 2.93 7.57 12.53 112.58 117.94 -86.23 132.22 81.06 3.76 15.19 65.23 5.95 9.87 4.39 10.62 0.00 2.11 1.83 61 K C C 155.42 2.07 10.27 14.01 113.85 -146.08 -95.79 130.11 99.37 0.45 0.18 98.94 0.35 0.24 0.09 0.03 0.00 0.25 0.10