# 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 136.86 2.62 8.69 13.23 115.55 -151.63 -92.97 134.38 99.91 0.07 0.01 99.85 0.08 0.03 0.01 0.00 0.00 0.03 0.01 1 K C C 161.54 1.28 7.44 10.21 116.64 -147.61 -97.97 133.84 95.01 3.58 1.41 93.39 0.81 1.29 0.57 0.43 0.00 1.60 1.90 2 R C C 180.05 1.57 6.49 9.82 114.57 -140.78 -93.79 129.98 93.30 4.00 2.70 79.27 9.05 4.73 0.73 2.01 0.00 2.48 1.73 3 T C C 109.28 1.53 7.27 10.32 112.85 -162.02 -97.22 120.78 94.18 3.15 2.67 66.67 20.01 7.34 0.56 2.30 0.00 1.92 1.20 4 Y C C 171.60 2.14 7.20 11.19 115.66 -142.35 -97.96 126.51 94.00 3.75 2.25 66.50 22.69 4.56 0.67 1.63 0.00 1.67 2.28 5 Q C C 134.12 1.92 9.02 12.70 117.12 -165.28 -107.29 128.35 98.19 1.33 0.49 83.41 14.37 0.49 0.33 0.15 0.00 0.57 0.68 6 P C C 80.84 5.26 8.04 15.31 115.03 -111.58 -66.73 149.93 95.52 0.99 3.49 86.64 5.81 3.13 2.57 0.79 0.00 0.41 0.64 7 S C C 64.11 2.84 10.74 14.96 115.72 -116.85 -79.38 153.81 92.74 1.15 6.11 85.27 4.52 2.67 5.45 0.83 0.00 0.37 0.88 8 K H H 146.87 2.52 10.28 14.44 93.54 -123.24 -63.94 -33.16 20.60 0.27 79.13 9.65 7.35 4.38 77.09 1.26 0.01 0.08 0.17 9 L H H 113.64 1.54 12.05 13.91 92.76 55.92 -65.38 -39.69 7.35 0.11 92.54 2.91 1.38 3.04 91.39 1.19 0.01 0.05 0.03 10 K H H 112.29 2.23 13.16 15.93 92.68 49.07 -66.35 -40.02 4.56 0.14 95.30 2.15 0.73 1.86 93.59 1.54 0.01 0.09 0.03 11 R H H 93.64 5.79 11.54 19.22 92.72 51.21 -65.26 -40.74 3.09 0.10 96.81 1.33 0.48 1.34 95.53 1.23 0.01 0.06 0.02 12 A H H 51.51 5.63 12.12 19.49 92.35 51.24 -64.99 -39.16 3.31 0.08 96.61 1.08 0.44 1.71 95.58 1.12 0.01 0.04 0.02 13 K H H 141.58 1.64 14.53 16.14 94.30 47.75 -72.34 -34.73 6.35 0.08 93.57 1.28 0.74 4.12 92.44 1.32 0.03 0.04 0.03 14 T H H 88.15 2.53 14.95 17.76 98.85 41.02 -83.25 -36.21 14.54 0.08 85.37 1.46 1.54 11.16 84.52 1.19 0.05 0.03 0.05 15 H H H 100.13 5.22 13.35 19.90 102.73 27.55 -104.51 -11.50 36.72 0.31 62.97 5.13 7.37 23.85 62.11 1.18 0.06 0.09 0.20 16 G C H 25.54 6.20 14.82 22.58 116.98 -105.98 78.78 -123.01 59.51 0.58 39.91 38.35 12.25 7.51 39.62 1.74 0.00 0.17 0.35 17 F H H 97.07 9.02 13.20 23.12 93.23 -58.18 -64.52 -36.74 6.92 0.05 93.03 2.06 1.27 3.51 91.48 1.60 0.03 0.02 0.02 18 L H H 100.10 2.80 15.93 19.28 92.09 54.07 -64.52 -40.39 2.26 0.02 97.73 0.50 0.27 1.30 95.88 2.02 0.00 0.01 0.00 19 A H H 53.30 3.36 16.16 20.25 92.34 51.39 -65.44 -39.56 1.51 0.01 98.48 0.27 0.15 0.93 95.11 3.53 0.00 0.01 0.00 20 R H H 78.81 9.07 12.82 23.33 92.63 50.92 -68.16 -33.65 2.56 0.01 97.43 0.26 0.21 1.88 93.82 3.82 0.01 0.01 0.00 21 M H H 88.37 7.05 12.22 20.88 93.10 56.45 -74.07 -18.20 19.56 0.04 80.40 0.99 0.96 17.85 76.58 3.56 0.03 0.02 0.03 22 A C T 85.80 1.40 14.96 15.95 92.89 66.52 -79.33 -14.19 70.86 0.14 28.99 3.55 5.93 60.09 27.67 2.56 0.02 0.05 0.13 23 T C S 60.26 4.28 10.39 16.79 123.84 77.62 -97.48 155.87 97.72 0.57 1.71 7.81 88.81 0.95 1.59 0.10 0.00 0.08 0.67 24 A H H 89.58 1.12 13.10 14.15 91.93 -114.33 -59.81 -37.44 18.29 0.02 81.68 0.71 2.62 15.01 79.68 1.92 0.03 0.01 0.02 25 S H H 72.07 1.73 14.02 15.74 92.01 52.32 -65.99 -35.72 17.15 0.02 82.84 0.81 1.23 14.80 81.25 1.88 0.01 0.00 0.01 26 G H H 16.76 8.32 10.84 21.46 91.84 53.41 -63.32 -40.76 4.78 0.01 95.20 1.37 0.57 2.53 93.90 1.60 0.00 0.00 0.01 27 R H H 124.00 3.75 14.82 19.80 91.56 51.50 -64.07 -40.88 1.03 0.00 98.97 0.37 0.10 0.44 98.81 0.28 0.00 0.00 0.00 28 K H H 126.55 1.35 17.90 17.68 92.02 50.20 -65.11 -41.17 0.61 0.00 99.39 0.19 0.05 0.28 99.33 0.14 0.00 0.00 0.00 29 V H H 67.53 3.63 16.11 20.60 91.79 49.35 -64.59 -42.78 0.35 0.01 99.64 0.10 0.02 0.16 99.63 0.07 0.00 0.00 0.00 30 L H H 56.74 7.10 13.89 22.83 91.91 50.24 -63.58 -41.88 0.21 0.00 99.79 0.04 0.01 0.11 99.80 0.05 0.00 0.00 0.00 31 K H H 109.81 2.28 16.62 18.79 91.83 50.75 -63.98 -41.24 0.32 0.00 99.68 0.04 0.01 0.19 99.68 0.06 0.00 0.00 0.00 32 L H H 87.66 1.81 15.73 17.06 91.79 50.23 -64.38 -41.33 0.67 0.00 99.33 0.07 0.03 0.44 99.31 0.14 0.00 0.00 0.00 33 R H H 107.82 4.10 13.27 18.74 92.13 50.03 -65.74 -40.49 1.97 0.00 98.02 0.28 0.14 1.31 97.89 0.37 0.00 0.00 0.00 34 R H H 127.06 3.61 12.39 17.38 91.90 51.11 -65.25 -38.44 6.88 0.03 93.09 1.12 0.60 4.69 92.69 0.88 0.01 0.01 0.01 35 K H H 148.05 0.97 13.26 13.41 92.39 51.36 -66.92 -35.37 18.27 0.11 81.63 2.48 1.73 13.69 80.43 1.54 0.03 0.04 0.05 36 K H H 139.83 1.42 11.79 13.27 95.78 50.67 -78.17 -21.28 44.11 0.30 55.59 5.30 5.89 32.38 53.57 2.51 0.05 0.11 0.18 37 Q C T 114.74 3.25 9.47 14.14 100.46 48.28 -81.37 16.10 61.28 0.59 38.12 18.15 8.60 34.70 33.04 4.90 0.02 0.24 0.34 38 R C C 159.20 2.52 9.31 13.40 99.79 124.76 -78.82 -15.37 59.15 1.32 39.53 35.25 8.74 14.98 25.23 14.48 0.01 0.66 0.66 39 A C C 82.96 2.04 9.89 13.10 108.47 66.50 -88.92 78.83 60.29 1.94 37.77 30.85 11.94 17.26 20.69 17.39 0.02 1.09 0.77 40 Q C C 136.03 1.80 10.06 13.04 110.09 65.63 -89.39 111.55 62.66 4.46 32.88 38.16 11.03 13.36 17.55 15.68 0.03 2.84 1.35 41 L C C 116.08 3.67 7.71 13.23 113.73 97.07 -93.16 126.11 71.16 8.47 20.37 52.34 10.38 7.84 14.01 7.16 0.02 5.97 2.28 42 T C C 98.09 2.33 8.69 12.83 118.85 -166.76 -108.32 136.25 75.67 12.42 11.91 60.26 9.05 5.24 9.68 3.23 0.01 9.31 3.21 43 V C C 116.10 2.30 7.51 11.67 114.18 -157.86 -98.60 124.04 74.52 10.93 14.55 53.53 12.14 7.91 11.33 4.22 0.03 7.93 2.91 44 S C C 83.25 2.18 7.29 11.21 116.22 -158.42 -101.54 139.86 79.34 5.54 15.12 47.42 18.22 13.82 9.51 5.66 0.01 3.90 1.45 45 S C C 93.78 1.34 7.21 9.88 108.00 -143.49 -92.06 87.55 81.85 3.89 14.27 42.43 22.89 17.50 6.80 6.72 0.01 2.48 1.16 46 E C C 150.46 1.52 6.93 10.06 111.00 -154.05 -90.13 122.09 87.99 2.89 9.13 77.00 2.59 9.84 4.38 3.23 0.00 1.96 0.99 47 R C C 173.19 2.25 8.92 12.99 112.59 -156.07 -95.13 128.27 99.80 0.14 0.06 99.65 0.12 0.10 0.02 0.01 0.00 0.08 0.02