# 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 130.17 2.99 8.57 13.49 115.91 -162.69 -99.80 133.63 99.83 0.11 0.06 99.69 0.13 0.07 0.03 0.01 0.00 0.05 0.02 1 E C C 149.80 1.32 7.33 10.07 114.91 -147.97 -95.95 128.48 83.87 3.56 12.57 81.71 1.12 3.52 7.39 2.90 0.00 1.99 1.37 2 V C C 120.95 1.42 5.82 8.83 112.98 -157.89 -94.78 125.95 69.13 5.10 25.77 49.91 8.92 10.06 14.77 11.24 0.01 3.42 1.69 3 F C C 168.67 1.17 6.16 8.65 111.08 -164.53 -96.26 111.85 61.44 5.92 32.64 40.67 10.01 10.86 15.45 17.28 0.02 4.09 1.63 4 C C C 107.27 1.24 6.36 8.97 111.16 118.93 -95.90 113.72 60.82 5.55 33.63 38.44 10.74 11.61 15.76 18.16 0.03 3.82 1.45 5 M C C 150.21 1.07 6.57 8.87 111.82 -153.26 -94.59 120.14 66.26 5.82 27.93 41.18 13.45 11.57 14.73 13.46 0.03 3.89 1.69 6 V C C 119.46 1.70 5.99 9.47 116.06 -158.39 -97.44 132.02 75.93 7.31 16.77 53.09 14.60 7.79 10.79 6.49 0.02 4.82 2.40 7 K C C 159.50 1.26 7.08 9.84 117.17 -151.59 -97.72 134.78 82.07 8.47 9.47 63.49 12.72 5.21 6.40 3.49 0.01 5.50 3.18 8 R C C 178.91 1.69 7.13 10.60 114.28 -130.79 -89.23 132.48 83.67 8.21 8.13 70.30 7.95 4.99 4.39 3.79 0.00 5.62 2.96 9 T C C 106.48 1.83 7.46 10.93 113.57 -154.70 -98.93 129.27 88.51 4.92 6.56 60.66 18.88 9.04 2.96 3.59 0.00 3.04 1.84 10 Y C C 169.38 2.23 7.40 11.55 116.60 -144.08 -99.58 131.76 90.14 5.17 4.68 61.11 22.97 5.89 2.21 2.46 0.00 2.46 2.89 11 Q C C 126.52 2.44 8.36 12.72 115.99 -155.92 -104.86 122.20 96.70 1.72 1.59 83.29 12.34 1.08 1.11 0.47 0.00 0.84 0.87 12 P C C 93.34 3.46 8.29 13.73 107.91 -122.56 -66.95 142.23 84.76 1.26 13.99 58.15 8.88 17.61 9.39 4.65 0.00 0.68 0.64 13 N C C 104.87 2.90 8.93 13.45 110.43 -122.50 -89.22 119.67 80.58 1.34 18.09 53.72 10.15 16.39 13.42 4.91 0.00 0.61 0.80 14 K C H 147.29 2.27 9.57 13.23 98.65 -156.94 -80.28 -10.60 51.96 1.39 46.65 30.64 14.09 8.42 40.44 5.18 0.02 0.64 0.58 15 R H H 153.67 1.95 10.29 13.18 97.46 73.81 -70.68 -33.96 33.45 1.17 65.39 20.09 7.22 7.27 59.31 5.07 0.01 0.68 0.34 16 K H H 125.59 2.40 11.47 14.80 95.39 55.67 -68.70 -37.39 23.34 1.33 75.33 14.89 4.25 5.77 68.02 5.82 0.01 0.89 0.33 17 H H H 101.11 4.67 10.73 17.02 94.87 54.52 -69.38 -36.44 18.62 1.15 80.23 11.39 3.35 5.33 72.68 6.16 0.02 0.79 0.29 18 S H H 65.05 3.60 12.10 17.04 93.85 55.48 -68.17 -34.66 19.28 1.10 79.61 10.63 3.49 6.45 72.52 5.86 0.02 0.73 0.30 19 K H H 137.20 2.03 13.54 15.95 96.04 52.16 -75.45 -28.96 23.28 1.42 75.30 11.68 4.30 8.61 69.06 4.99 0.04 0.90 0.42 20 V H H 78.12 5.02 12.43 18.87 101.67 51.91 -84.94 -29.40 31.90 1.74 66.36 15.79 6.46 10.76 62.21 3.19 0.05 0.92 0.64 21 H C H 100.19 4.85 12.90 19.07 104.44 50.89 -84.61 -11.43 51.60 1.56 46.84 25.30 10.80 14.73 45.53 2.25 0.03 0.67 0.68 22 G H H 31.15 5.06 14.25 20.59 105.53 46.54 -25.04 -66.01 49.35 1.05 49.60 26.70 12.38 10.58 46.90 2.55 0.02 0.42 0.45 23 F H H 107.16 6.25 12.43 19.83 93.68 16.75 -65.99 -37.81 14.44 0.35 85.20 5.29 3.01 7.28 79.82 4.14 0.11 0.19 0.16 24 R H H 146.25 2.41 14.35 17.43 92.49 52.45 -65.18 -39.89 7.87 0.26 91.87 2.49 1.32 4.44 85.58 5.83 0.08 0.17 0.08 25 K H H 123.26 1.99 15.39 17.34 92.71 50.25 -66.33 -38.89 6.40 0.22 93.38 1.86 0.98 3.66 84.23 8.99 0.06 0.15 0.06 26 R H H 97.90 6.22 12.37 20.25 93.43 50.93 -70.41 -32.43 9.35 0.23 90.42 2.16 1.31 5.91 80.44 9.87 0.08 0.14 0.08 27 M H H 86.77 7.00 10.94 19.51 94.57 57.74 -76.50 -15.42 31.73 0.41 67.86 5.32 3.29 22.88 59.52 8.46 0.09 0.20 0.24 28 S C T 85.00 1.55 13.83 15.38 94.97 65.13 -81.98 -11.73 71.33 0.73 27.94 12.81 11.17 47.25 22.73 5.19 0.06 0.28 0.51 29 T C S 61.72 4.37 9.63 16.18 121.57 87.30 -89.88 154.72 95.73 1.28 2.99 15.91 77.84 1.53 2.95 0.27 0.00 0.25 1.25 30 K H H 165.38 0.84 12.95 13.32 92.97 -114.78 -60.41 -36.84 24.34 0.08 75.58 1.47 4.41 18.23 73.98 1.76 0.07 0.03 0.06 31 N H H 104.41 1.80 13.23 15.26 92.84 49.61 -67.41 -32.55 22.92 0.05 77.03 1.54 2.31 18.58 75.81 1.67 0.03 0.02 0.03 32 G H H 20.27 7.78 10.60 20.51 92.65 53.88 -63.71 -40.15 7.71 0.05 92.24 2.39 1.13 4.03 91.01 1.40 0.01 0.02 0.03 33 R H H 130.90 3.17 14.59 18.79 91.86 51.63 -64.68 -40.40 2.26 0.02 97.73 0.83 0.26 1.01 97.43 0.47 0.00 0.01 0.00 34 K H H 124.16 1.54 17.20 17.64 92.33 49.97 -65.18 -41.26 1.60 0.03 98.38 0.60 0.19 0.73 98.14 0.31 0.00 0.02 0.01 35 V H H 64.60 3.89 15.70 20.66 91.95 49.63 -64.22 -42.97 0.88 0.03 99.09 0.39 0.10 0.35 98.96 0.17 0.00 0.02 0.00 36 L H H 61.37 6.22 14.22 22.17 91.95 49.77 -64.25 -41.78 0.40 0.00 99.60 0.11 0.03 0.19 99.55 0.11 0.00 0.00 0.00 37 A H H 51.28 2.53 15.60 18.61 91.48 51.00 -63.01 -41.32 0.54 0.00 99.46 0.09 0.03 0.32 99.43 0.13 0.00 0.00 0.00 38 R H H 126.84 1.72 15.59 16.79 92.06 50.19 -64.88 -40.71 1.03 0.00 98.97 0.15 0.06 0.68 98.86 0.25 0.00 0.00 0.00 39 R H H 104.51 4.64 12.28 18.42 92.18 50.56 -65.49 -40.23 2.32 0.01 97.67 0.45 0.19 1.47 97.29 0.59 0.00 0.00 0.00 40 R H H 140.55 3.05 12.00 16.39 92.13 51.15 -65.43 -38.20 6.10 0.03 93.87 1.05 0.48 4.17 92.69 1.58 0.01 0.01 0.01 41 R H H 180.75 0.80 12.74 12.72 92.51 51.68 -68.21 -30.31 17.02 0.09 82.88 1.52 1.22 14.02 81.47 1.65 0.03 0.04 0.05 42 K C T 146.80 1.37 10.92 12.62 96.56 50.92 -84.62 -5.78 65.65 0.22 34.12 3.12 4.53 55.37 35.04 1.70 0.02 0.08 0.15 43 G C T 53.38 2.33 10.34 13.96 102.96 -105.16 79.12 11.76 91.92 0.53 7.54 17.27 8.98 65.64 6.31 1.34 0.00 0.24 0.22 44 R C C 146.19 3.98 8.09 14.04 113.69 146.99 -87.17 131.71 88.86 2.74 8.40 74.14 8.35 6.36 5.34 3.01 0.00 1.53 1.26 45 K C C 151.25 2.02 9.72 13.31 115.29 -156.45 -99.98 129.85 82.39 5.17 12.44 60.99 12.92 8.33 6.92 5.62 0.00 3.79 1.43 46 V C C 112.44 2.68 8.40 12.81 113.76 -147.37 -95.48 126.58 74.86 10.06 15.08 50.62 14.47 9.99 8.00 6.89 0.02 7.68 2.32 47 L C C 126.76 2.58 7.28 11.64 111.77 -146.63 -92.85 120.93 73.89 11.73 14.39 50.94 11.57 11.58 7.36 6.76 0.02 9.29 2.48 48 S C C 87.82 1.75 7.68 11.08 116.58 -161.71 -102.72 134.45 84.75 7.01 8.24 74.11 3.22 8.02 4.39 2.96 0.00 5.58 1.73 49 A C C 85.38 2.84 9.71 14.19 107.73 -124.67 -82.79 113.33 99.75 0.19 0.06 99.50 0.20 0.12 0.02 0.01 0.00 0.12 0.02