# 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 103.73 6.18 10.65 18.39 115.63 -158.00 -94.79 134.94 99.79 0.15 0.05 99.70 0.12 0.05 0.03 0.00 0.00 0.07 0.03 1 A C C 67.09 3.21 10.35 15.05 114.11 -138.07 -85.18 152.19 79.79 1.95 18.26 75.19 1.25 4.55 14.60 2.50 0.00 0.90 1.01 2 H H H 132.93 3.55 8.78 13.91 97.80 -116.99 -70.23 -28.64 48.87 2.06 49.06 28.31 9.58 12.15 35.40 12.58 0.03 1.07 0.88 3 E H H 132.21 2.30 10.52 14.05 95.79 63.24 -69.70 -28.05 38.71 1.46 59.83 18.61 7.74 12.68 42.51 17.02 0.05 0.86 0.53 4 N H H 96.71 3.24 10.88 15.55 97.76 56.38 -79.84 -13.80 36.25 1.73 62.03 19.85 6.76 10.14 44.24 17.34 0.04 1.04 0.59 5 V H H 76.26 5.77 10.17 17.59 96.87 65.59 -73.98 -32.21 35.55 2.75 61.69 19.27 7.84 10.48 46.19 13.53 0.09 1.69 0.91 6 W H H 152.63 4.76 11.53 17.68 96.97 57.31 -74.32 -24.26 43.47 4.01 52.52 20.36 9.29 15.76 38.39 12.08 0.19 2.47 1.45 7 Y C C 149.30 3.94 11.93 17.19 100.06 54.75 -92.38 4.44 59.94 3.89 36.17 28.87 12.16 19.97 26.44 8.69 0.11 2.06 1.69 8 S C C 67.00 5.51 10.82 17.92 104.59 89.38 -85.98 18.65 79.92 3.91 16.16 46.72 22.05 11.11 11.96 4.26 0.02 1.73 2.14 9 H C C 116.22 4.83 11.03 17.66 118.03 83.62 -100.65 136.09 93.87 3.22 2.91 52.79 38.58 2.73 1.94 0.94 0.00 1.25 1.77 10 P C C 91.09 4.15 11.99 17.85 112.10 -102.42 -66.02 145.83 89.57 2.79 7.64 71.96 9.28 8.14 3.03 4.49 0.00 1.51 1.60 11 R C C 136.66 7.10 9.16 17.68 113.92 -122.58 -82.52 134.92 87.78 3.18 9.04 55.72 19.12 12.66 2.67 6.30 0.00 1.41 2.12 12 K C C 161.33 1.59 13.18 15.27 103.31 -154.12 -87.68 16.37 87.53 4.14 8.34 44.49 28.20 14.92 2.47 5.55 0.01 1.76 2.59 13 F C C 125.44 5.58 9.35 16.59 118.11 56.01 -103.23 139.37 89.62 5.15 5.22 53.45 26.19 9.30 1.81 3.26 0.00 1.96 4.02 14 G C C 39.01 3.84 11.82 17.20 129.16 127.05 -147.02 -176.11 93.85 3.25 2.90 59.96 27.73 5.44 0.76 2.15 0.00 1.14 2.83 15 K C T 171.45 1.07 12.44 13.71 107.32 -51.92 -66.54 124.57 91.74 0.97 7.29 4.24 9.87 76.33 0.50 7.97 0.00 0.60 0.49 16 G C T 55.12 2.64 13.57 17.02 96.99 25.14 81.23 -1.76 92.91 0.58 6.50 5.36 8.47 77.67 0.41 7.48 0.00 0.37 0.24 17 S C C 40.63 10.06 11.45 22.98 110.64 121.67 -80.09 131.38 91.53 3.68 4.79 73.32 13.09 4.04 0.67 4.92 0.00 1.85 2.11 18 R C C 113.95 9.14 16.47 26.15 104.84 116.68 -102.40 7.61 85.68 12.99 1.33 71.18 11.25 2.37 0.42 0.99 0.00 8.25 5.53 19 Q E B 90.69 6.33 19.97 27.20 126.77 92.15 -112.55 148.00 34.07 65.69 0.24 28.17 1.52 0.06 0.19 0.04 0.00 11.16 58.86 20 C C C 13.45 19.10 11.13 30.68 109.91 -109.24 -68.96 130.26 94.18 5.76 0.06 94.82 0.60 0.05 0.02 0.02 0.00 2.46 2.03 21 R C T 145.48 4.34 18.44 23.99 92.88 -147.71 -69.52 -26.75 99.67 0.20 0.14 1.01 9.58 89.11 0.01 0.10 0.00 0.12 0.07 22 I C T 87.67 7.55 16.17 24.63 100.42 43.29 -85.93 -41.91 99.85 0.07 0.08 0.09 3.59 96.22 0.00 0.05 0.00 0.03 0.02 23 S C T 52.04 6.53 14.69 22.66 102.91 19.08 -108.72 -13.44 99.80 0.09 0.11 0.35 4.93 94.58 0.01 0.07 0.00 0.04 0.02 24 G C C 47.64 4.17 15.31 20.82 95.77 -120.17 80.62 5.75 98.85 1.07 0.08 74.16 22.44 2.13 0.02 0.05 0.00 0.36 0.83 25 S C C 48.77 6.66 14.38 23.00 117.26 137.79 -76.93 142.90 96.14 3.65 0.20 77.42 17.43 0.73 0.07 0.14 0.00 1.12 3.10 26 H C B 121.99 7.15 16.89 25.10 102.95 -128.20 -86.21 29.35 54.63 42.86 2.51 30.98 15.46 4.39 1.22 1.18 0.10 9.01 37.66 27 S C C 45.85 9.20 17.79 27.53 121.07 107.79 -107.82 155.90 91.47 5.64 2.89 51.25 26.59 13.71 0.74 2.17 0.00 3.03 2.50 28 G C C 19.37 11.27 17.75 29.73 120.49 -101.29 30.30 164.85 86.56 6.20 7.24 57.79 21.47 7.01 3.96 3.21 0.01 2.94 3.60 29 L C S 50.09 11.20 18.50 30.48 96.07 -109.16 -75.60 -22.83 60.62 21.44 17.94 22.03 30.12 8.70 10.89 5.71 0.62 10.84 11.08 30 I E B 29.02 16.48 13.36 30.03 94.95 65.11 -74.21 -26.08 19.44 49.61 30.95 10.24 5.47 5.97 15.07 14.20 0.54 23.93 24.57 31 R H G 139.74 5.18 15.05 21.75 92.31 62.07 -64.14 -38.01 13.30 3.69 83.01 6.07 2.29 5.90 11.38 70.38 0.02 3.69 0.25 32 K H G 150.20 1.81 15.21 17.48 91.17 54.12 -68.17 -29.31 13.89 0.89 85.22 1.12 1.61 11.15 8.19 77.03 0.05 0.73 0.11 33 Y H G 110.93 7.50 13.05 21.98 96.75 40.55 -99.07 6.23 22.60 0.11 77.28 0.41 1.30 21.47 3.85 72.86 0.00 0.06 0.04 34 G C T 52.00 2.69 18.41 21.21 94.77 -106.23 77.98 13.34 99.60 0.05 0.35 2.15 2.66 94.89 0.05 0.21 0.00 0.03 0.01 35 L C C 32.63 16.41 11.80 28.61 116.23 136.15 -95.34 129.47 91.43 8.32 0.25 84.84 5.75 1.08 0.08 0.19 0.00 4.92 3.14 36 N C C 84.04 6.95 22.08 29.77 102.65 -152.97 -98.77 58.60 87.36 12.52 0.11 53.47 33.82 1.11 0.03 0.10 0.00 10.19 1.29 37 I E B 24.83 16.82 17.46 34.76 132.50 113.73 -125.45 153.53 41.67 58.19 0.14 30.57 10.82 0.23 0.09 0.06 0.00 26.01 32.22 38 D C C 28.15 11.93 20.13 33.15 118.12 -107.90 -72.76 156.83 77.58 22.33 0.09 79.48 0.62 0.02 0.07 0.01 0.00 15.90 3.89 39 R H H 98.84 11.82 17.81 30.12 91.41 -112.10 -58.92 -37.72 1.34 0.00 98.65 0.15 0.13 0.90 98.51 0.31 0.00 0.00 0.00 40 Q H H 99.32 2.96 22.72 24.99 91.55 53.58 -64.24 -41.08 0.67 0.00 99.32 0.04 0.04 0.53 98.99 0.39 0.00 0.00 0.00 41 S H H 20.23 10.45 18.51 30.71 91.73 49.30 -65.00 -41.97 0.44 0.00 99.56 0.06 0.03 0.29 99.10 0.51 0.00 0.00 0.00 42 F H H 15.32 20.91 14.84 35.76 91.94 50.58 -64.05 -42.78 0.11 0.00 99.88 0.01 0.01 0.07 99.81 0.10 0.00 0.00 0.00 43 R H H 113.21 7.31 19.17 27.22 91.49 51.08 -63.42 -41.83 0.27 0.00 99.73 0.02 0.01 0.19 99.61 0.16 0.00 0.00 0.00 44 E H H 113.81 1.88 21.46 21.66 91.98 48.63 -65.65 -40.98 1.25 0.00 98.74 0.04 0.04 1.13 98.55 0.23 0.00 0.00 0.00 45 K H H 65.82 9.62 17.01 27.66 95.37 42.53 -78.85 -31.33 6.91 0.02 93.07 0.37 0.46 5.94 92.76 0.45 0.01 0.01 0.01 46 A H H 12.90 16.41 11.05 28.13 92.15 65.79 -62.46 -41.27 13.04 0.29 86.67 3.25 1.75 8.14 77.03 9.44 0.09 0.13 0.17 47 N H H 107.44 2.47 15.54 18.79 91.83 52.14 -64.58 -38.22 11.20 0.18 88.63 1.71 0.86 7.51 64.73 24.98 0.03 0.12 0.05 48 D H H 113.77 1.36 15.55 16.44 91.38 53.87 -68.92 -26.31 18.12 0.13 81.75 1.05 0.99 14.73 60.25 22.77 0.07 0.07 0.06 49 I C T 77.06 8.31 11.49 21.13 95.58 48.57 -92.79 -0.45 49.97 0.16 49.87 1.10 2.57 46.23 29.88 19.96 0.05 0.07 0.14 50 G C T 54.41 1.80 16.37 17.77 97.81 -100.30 86.26 8.92 99.25 0.06 0.69 2.89 3.82 92.69 0.38 0.16 0.00 0.04 0.02 51 F C C 79.66 11.61 8.78 20.75 116.77 124.98 -94.07 132.41 92.13 6.70 1.17 78.58 11.37 2.10 0.57 0.64 0.00 3.94 2.80 52 Y C C 143.47 3.95 12.41 18.07 119.67 -158.68 -106.98 137.16 86.38 11.52 2.10 73.75 9.30 2.91 0.95 1.20 0.00 7.70 4.19 53 K C C 131.91 5.11 10.35 17.20 112.20 -143.38 -85.56 126.36 86.26 10.45 3.29 57.59 18.10 10.24 0.77 2.80 0.00 7.79 2.71 54 Y C C 153.38 3.97 9.20 14.87 112.77 -133.98 -97.14 120.93 94.30 3.39 2.32 82.34 3.44 8.61 0.48 1.70 0.00 2.51 0.91 55 R C C 168.59 2.86 11.27 15.81 109.72 -154.38 -92.14 106.57 99.83 0.13 0.03 99.65 0.14 0.09 0.01 0.01 0.00 0.08 0.02