# 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 137.57 2.24 9.25 13.12 116.65 -164.34 -94.43 137.58 99.90 0.08 0.02 99.78 0.12 0.03 0.01 0.00 0.00 0.04 0.01 1 S C C 87.23 2.03 7.34 11.28 115.10 -123.65 -83.67 144.46 95.97 1.97 2.07 93.67 0.73 2.33 0.76 0.66 0.00 1.06 0.78 2 K C C 165.42 1.19 7.21 9.76 114.57 -142.01 -94.63 132.83 90.74 5.19 4.07 71.93 12.57 5.89 1.46 2.60 0.00 2.95 2.60 3 R C C 175.03 1.86 6.96 10.61 115.53 -140.02 -95.75 129.84 89.11 5.74 5.15 73.01 10.31 5.53 1.59 3.62 0.00 3.71 2.22 4 T C C 107.30 1.67 7.95 11.12 109.63 -164.59 -98.79 89.27 90.61 4.58 4.81 64.76 17.44 8.39 1.52 3.29 0.00 2.77 1.83 5 F C C 149.22 2.74 7.53 12.13 115.22 -131.09 -101.05 128.68 91.52 4.38 4.09 61.43 24.03 5.98 1.68 2.33 0.00 2.03 2.52 6 Q C C 126.68 2.37 9.12 13.36 117.42 -159.81 -106.68 129.06 95.78 1.71 2.51 77.56 16.64 1.54 1.92 0.66 0.00 0.77 0.91 7 P C C 88.20 4.17 8.87 14.99 111.59 -113.07 -66.74 147.72 81.39 1.22 17.39 59.48 7.61 13.99 12.38 5.25 0.00 0.66 0.64 8 S C C 67.89 3.92 9.13 14.77 112.64 -119.43 -86.41 142.36 75.38 1.49 23.13 51.96 9.25 13.64 17.91 5.70 0.00 0.70 0.83 9 K C H 144.49 2.34 10.25 13.83 98.72 -139.25 -83.43 -4.75 53.51 1.54 44.95 33.47 13.20 7.81 38.98 5.16 0.02 0.69 0.67 10 R H H 144.71 2.54 10.18 14.09 96.51 77.30 -69.42 -34.33 31.63 0.97 67.40 20.64 6.50 5.93 61.64 4.46 0.01 0.51 0.31 11 K H H 125.54 2.53 11.17 14.79 94.55 58.63 -68.69 -37.27 21.10 0.91 78.00 13.46 3.78 5.50 71.07 5.37 0.01 0.56 0.25 12 R H H 136.64 3.07 11.31 15.68 94.46 53.20 -68.82 -36.27 17.23 0.83 81.93 9.95 3.15 5.61 74.29 6.21 0.02 0.53 0.24 13 R H H 142.88 3.13 11.85 16.30 93.74 53.10 -69.21 -32.50 16.67 0.63 82.70 7.86 3.21 6.85 75.72 5.74 0.04 0.37 0.22 14 N H H 90.59 4.58 11.29 17.34 98.15 51.10 -83.59 -9.00 25.70 0.68 73.62 11.56 4.55 10.91 67.16 5.13 0.04 0.34 0.31 15 K H H 139.17 2.43 13.95 17.08 96.80 71.46 -75.74 -26.73 38.33 0.65 61.02 11.09 7.64 21.01 55.39 4.14 0.09 0.28 0.36 16 H C H 106.25 4.69 12.86 18.79 102.80 43.14 -99.05 -1.97 55.18 0.99 43.83 16.78 12.78 26.18 40.35 2.89 0.08 0.36 0.58 17 G C C 23.37 6.49 14.17 22.32 123.25 -134.69 88.53 173.64 64.36 1.00 34.64 45.30 12.17 5.33 34.80 1.54 0.00 0.32 0.54 18 F H H 105.71 8.10 12.63 21.87 93.19 -82.45 -63.38 -36.75 6.70 0.11 93.18 2.27 1.34 3.30 91.38 1.55 0.05 0.05 0.05 19 M H H 119.42 2.07 15.26 17.62 91.93 53.07 -64.60 -39.95 2.94 0.06 97.00 0.76 0.43 1.75 95.23 1.76 0.03 0.03 0.02 20 D H H 80.52 2.60 15.88 18.74 92.34 49.70 -66.33 -39.52 1.94 0.04 98.02 0.47 0.25 1.18 95.29 2.77 0.01 0.02 0.01 21 R H H 79.18 8.82 12.15 22.43 92.36 50.75 -68.19 -35.72 2.50 0.02 97.48 0.36 0.24 1.75 94.50 3.12 0.01 0.01 0.00 22 M H H 88.22 6.68 12.05 20.38 93.03 55.04 -72.84 -21.30 15.38 0.04 84.58 0.85 0.84 13.83 81.18 3.23 0.03 0.02 0.03 23 A C T 85.09 1.40 14.60 15.59 92.97 62.60 -80.46 -14.07 63.47 0.13 36.39 2.67 4.30 55.33 34.85 2.65 0.04 0.04 0.12 24 S C S 46.67 4.66 9.69 16.59 123.55 83.77 -90.76 156.55 96.94 0.72 2.34 10.39 84.89 1.34 2.30 0.16 0.00 0.12 0.80 25 A H H 90.77 0.99 13.03 13.70 92.30 -112.89 -59.93 -37.21 24.08 0.04 75.88 0.84 3.32 19.84 74.01 1.89 0.06 0.01 0.03 26 N H H 107.63 1.66 13.83 15.42 92.56 50.86 -67.57 -33.11 22.83 0.03 77.15 1.02 1.78 19.64 75.76 1.75 0.02 0.01 0.02 27 G H H 17.68 8.70 10.43 21.19 91.99 53.35 -63.61 -40.09 7.30 0.03 92.67 2.05 1.00 4.00 91.33 1.58 0.01 0.01 0.02 28 R H H 133.45 3.08 14.88 18.96 91.55 51.76 -64.26 -40.56 1.79 0.01 98.20 0.66 0.19 0.78 98.03 0.34 0.00 0.00 0.00 29 K H H 126.80 1.35 17.70 17.55 92.03 50.03 -65.07 -41.34 1.18 0.02 98.80 0.47 0.14 0.51 98.67 0.20 0.00 0.01 0.00 30 V H H 62.42 4.28 15.86 21.19 91.73 49.46 -64.12 -43.06 0.51 0.01 99.47 0.22 0.05 0.21 99.43 0.09 0.00 0.01 0.00 31 L H H 58.66 7.38 14.09 23.13 91.90 49.95 -63.88 -41.84 0.19 0.00 99.81 0.04 0.01 0.10 99.81 0.05 0.00 0.00 0.00 32 A H H 55.17 2.34 16.28 18.70 91.45 50.92 -63.33 -41.22 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.04 0.00 0.00 0.00 33 R H H 132.60 1.56 16.38 17.02 92.09 49.95 -64.88 -40.88 0.40 0.00 99.60 0.04 0.02 0.26 99.60 0.08 0.00 0.00 0.00 34 R H H 95.32 5.49 12.44 19.44 92.12 50.45 -65.35 -40.90 0.99 0.00 99.00 0.16 0.07 0.62 98.96 0.19 0.00 0.00 0.00 35 R H H 133.99 3.39 12.27 17.09 91.94 50.85 -64.56 -39.64 2.84 0.01 97.15 0.43 0.18 1.92 96.84 0.61 0.00 0.00 0.00 36 A H H 87.39 0.91 12.48 12.73 91.30 53.08 -66.63 -30.33 11.52 0.04 88.43 0.64 0.58 10.17 87.76 0.80 0.02 0.02 0.02 37 K C T 145.55 1.32 11.27 12.74 94.47 51.01 -85.76 -4.95 74.11 0.08 25.82 0.96 2.16 69.09 26.73 0.97 0.01 0.02 0.06 38 G C T 53.97 2.02 11.05 14.02 99.07 -104.15 82.41 11.50 95.29 0.13 4.58 6.30 5.12 83.78 4.03 0.65 0.00 0.06 0.06 39 R C C 137.58 4.05 8.72 14.60 107.77 127.04 -87.56 89.95 88.92 1.51 9.57 75.09 7.79 6.18 4.54 4.80 0.00 0.74 0.87 40 H C C 140.92 2.96 9.76 14.37 112.49 100.27 -102.07 109.85 80.93 2.98 16.09 52.34 15.37 12.98 5.49 10.99 0.00 1.91 0.91 41 K C C 156.33 1.43 11.41 13.48 113.58 64.10 -92.05 128.51 74.76 8.04 17.21 46.94 15.56 12.48 5.80 11.61 0.01 5.92 1.68 42 L C C 111.93 4.85 8.00 14.65 113.75 -143.68 -93.51 125.97 70.87 15.18 13.95 52.74 10.96 7.35 5.87 8.17 0.02 12.12 2.77 43 T C C 94.40 2.66 9.70 14.07 121.15 -164.43 -115.02 140.81 74.05 19.49 6.47 60.23 9.08 4.11 3.80 2.85 0.01 16.29 3.61 44 V C C 117.00 2.55 8.28 12.67 113.53 -144.93 -97.85 123.83 75.50 17.60 6.90 53.74 14.04 7.61 3.83 3.29 0.02 14.04 3.44 45 S C C 78.34 2.77 8.12 12.76 119.70 -150.71 -101.26 145.09 86.40 8.46 5.14 51.14 22.56 13.09 2.29 2.84 0.01 6.49 1.59 46 S C C 95.26 1.36 8.65 11.13 104.38 -149.30 -95.79 13.12 92.46 4.00 3.54 47.75 34.86 10.20 1.24 2.21 0.00 2.64 1.10 47 E C C 132.02 2.24 7.73 11.80 117.11 103.47 -93.38 135.37 93.96 2.26 3.78 62.40 28.21 3.52 1.78 1.81 0.00 1.19 1.08 48 P C C 100.65 2.56 7.70 12.19 112.59 -110.36 -68.23 146.57 81.81 1.80 16.39 60.59 8.71 11.93 4.39 12.56 0.00 1.11 0.71 49 R C C 181.16 1.52 7.19 10.17 108.30 -133.80 -85.49 109.61 74.21 2.46 23.33 38.76 16.36 19.21 5.37 17.89 0.01 1.33 1.07 50 H C C 151.33 1.62 6.09 9.35 113.55 -122.13 -96.81 126.53 73.85 2.94 23.21 41.70 15.60 16.60 5.19 18.05 0.01 1.60 1.26 51 K C C 160.63 1.43 6.68 9.77 113.47 -148.13 -93.68 129.49 84.70 1.99 13.31 75.03 2.61 8.63 4.32 7.33 0.00 1.18 0.90 52 K C C 159.81 1.73 8.66 11.95 111.03 -146.29 -89.43 123.16 99.77 0.12 0.10 99.53 0.18 0.15 0.05 0.01 0.00 0.06 0.02