# 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 122.09 4.06 10.03 15.80 116.18 -150.23 -94.61 137.70 99.86 0.10 0.05 99.68 0.16 0.07 0.02 0.00 0.00 0.04 0.02 1 G C C 51.11 2.89 8.68 13.19 112.50 -112.92 -74.79 150.54 87.02 1.24 11.74 80.76 1.39 7.03 3.29 6.25 0.00 0.64 0.64 2 A C T 94.71 1.22 8.10 10.34 101.15 -106.60 -78.99 -12.86 79.69 1.46 18.85 26.34 22.61 31.59 4.16 13.78 0.01 0.67 0.83 3 I C C 138.55 1.30 8.13 10.52 108.32 60.84 -92.54 78.86 75.38 2.53 22.09 32.66 18.34 25.53 6.89 14.01 0.02 1.19 1.36 4 K C C 111.70 5.27 7.33 14.47 116.73 126.82 -92.46 138.80 87.21 2.53 10.26 60.71 23.93 2.60 7.85 2.30 0.00 0.94 1.67 5 T C C 74.15 2.25 10.76 14.10 118.90 -125.84 -80.05 161.17 88.49 3.85 7.66 82.72 4.23 1.06 7.49 0.68 0.00 1.22 2.60 6 L H H 127.43 1.38 10.12 12.33 92.18 -109.17 -59.66 -37.57 2.43 0.02 97.56 0.86 0.45 0.97 97.41 0.30 0.00 0.00 0.00 7 K H H 142.21 0.98 12.09 12.62 91.81 52.25 -64.94 -39.82 1.30 0.01 98.70 0.29 0.15 0.72 98.52 0.32 0.00 0.00 0.00 8 Q H H 87.17 2.94 11.86 16.14 92.02 48.50 -65.86 -40.55 0.60 0.00 99.40 0.16 0.06 0.32 99.20 0.27 0.00 0.00 0.00 9 K H H 108.32 3.06 12.82 17.10 91.80 51.06 -64.10 -41.08 0.32 0.00 99.68 0.09 0.02 0.15 99.63 0.10 0.00 0.00 0.00 10 L H H 95.68 1.62 14.52 15.78 91.65 49.92 -64.42 -41.18 0.42 0.00 99.58 0.06 0.02 0.25 99.59 0.07 0.00 0.00 0.00 11 K H H 113.78 1.83 14.88 16.50 91.96 49.70 -64.53 -41.74 0.60 0.00 99.39 0.10 0.04 0.38 99.38 0.10 0.00 0.00 0.00 12 Y H H 114.37 2.92 13.96 17.75 92.15 49.47 -64.83 -40.95 0.72 0.00 99.27 0.12 0.05 0.46 99.20 0.17 0.00 0.00 0.00 13 G H H 33.77 2.47 13.77 17.10 91.43 51.18 -63.49 -41.34 1.50 0.00 98.49 0.23 0.11 1.02 98.41 0.24 0.00 0.00 0.00 14 K H H 120.98 1.54 14.63 15.69 92.25 50.20 -65.62 -39.87 1.90 0.00 98.09 0.30 0.16 1.30 97.79 0.44 0.00 0.00 0.00 15 K H H 114.62 2.20 13.46 16.12 92.40 51.24 -65.59 -39.84 2.54 0.01 97.44 0.38 0.21 1.75 96.61 1.04 0.00 0.01 0.00 16 M H H 108.40 2.42 12.57 15.84 92.34 51.49 -65.93 -37.29 5.91 0.03 94.06 0.80 0.51 4.27 92.36 2.03 0.01 0.01 0.01 17 K H H 137.61 1.73 12.40 14.63 93.22 53.72 -68.88 -30.23 18.35 0.12 81.54 2.72 1.72 13.61 78.61 3.19 0.03 0.05 0.06 18 Q H H 124.00 2.07 11.35 14.35 95.45 59.31 -73.80 -20.41 46.28 0.32 53.39 6.21 5.58 34.02 50.51 3.29 0.06 0.12 0.22 19 N C T 115.72 2.33 10.78 14.17 99.58 54.95 -90.50 11.10 74.22 0.65 25.13 21.25 12.08 41.19 21.38 3.41 0.01 0.25 0.43 20 R C C 140.03 3.20 10.14 15.32 117.86 118.97 -93.30 137.99 97.80 1.69 0.51 57.03 40.01 1.03 0.30 0.17 0.00 0.62 0.84 21 P C C 101.72 2.38 12.00 15.75 114.32 -104.85 -68.53 147.23 93.74 5.68 0.58 87.06 5.62 0.60 0.37 0.16 0.00 1.73 4.47 22 I C C 87.96 7.95 8.24 17.68 114.80 -111.06 -83.02 137.28 96.16 2.01 1.83 87.60 7.88 0.60 1.72 0.23 0.00 0.72 1.25 23 P C C 69.07 4.18 11.81 17.83 111.71 -106.14 -64.22 142.75 88.05 1.66 10.28 84.16 2.10 1.67 9.86 0.76 0.00 0.64 0.81 24 Y H H 159.82 2.58 11.42 15.57 93.35 -129.46 -61.76 -34.55 11.34 0.51 88.15 3.92 2.50 5.90 80.60 6.51 0.06 0.36 0.14 25 W H H 158.69 1.88 12.28 14.73 92.61 57.46 -65.42 -36.52 5.98 1.48 92.54 1.89 0.96 3.57 83.90 7.89 0.05 1.62 0.10 26 V H H 65.00 4.89 11.16 17.94 93.30 51.79 -67.18 -39.46 3.61 1.74 94.65 1.35 0.56 1.91 85.62 8.34 0.02 2.13 0.07 27 R H H 108.34 5.07 10.87 17.75 92.96 53.31 -66.79 -37.39 6.42 3.23 90.35 2.43 1.00 3.35 82.84 6.64 0.06 3.50 0.18 28 F H H 124.85 2.58 11.30 14.96 94.73 54.49 -73.18 -29.84 21.55 9.13 69.33 8.25 3.48 10.89 62.79 5.07 0.33 7.97 1.22 29 K H H 132.11 2.45 10.50 14.12 99.41 56.83 -77.98 -18.31 39.35 12.40 48.25 18.57 6.75 14.88 44.53 3.43 0.26 9.26 2.31 30 T C H 75.89 4.58 8.84 15.01 103.32 54.61 -94.78 17.21 55.49 10.56 33.95 20.05 12.42 23.41 30.55 3.45 0.58 6.57 2.96 31 N C T 138.00 0.80 11.55 12.03 96.58 -84.63 52.59 22.79 88.58 0.75 10.67 13.58 18.51 56.40 7.95 2.75 0.01 0.39 0.40 32 S C T 77.44 3.91 8.64 14.17 100.23 14.06 -75.50 36.32 93.17 0.85 5.97 20.44 25.91 47.23 3.02 2.55 0.00 0.47 0.37 33 K C C 156.17 1.38 11.17 13.11 100.78 128.40 -90.85 -4.87 77.30 16.79 5.91 42.51 25.78 9.70 3.61 2.69 0.03 11.25 4.44 34 Q C C 108.54 4.75 9.01 15.68 116.04 88.14 -95.49 131.15 72.26 21.94 5.81 55.34 11.46 4.72 3.97 2.37 0.01 17.59 4.54 35 R C C 150.89 3.44 11.18 16.53 119.05 -165.75 -110.91 134.24 75.40 18.73 5.87 60.27 10.91 3.48 4.64 1.77 0.00 15.74 3.19 36 Y C C 131.37 6.12 9.73 17.61 118.83 -150.57 -104.49 136.61 79.26 14.04 6.70 63.34 11.60 3.58 5.41 1.81 0.00 10.47 3.80 37 N C C 75.48 5.24 10.17 17.39 113.81 -156.61 -102.33 121.12 89.86 3.78 6.36 82.65 4.91 2.12 5.29 1.23 0.00 2.49 1.30 38 E H H 131.56 2.81 10.84 15.22 93.82 -151.68 -65.68 -29.87 42.99 0.88 56.13 12.69 7.53 21.83 35.14 21.85 0.05 0.50 0.41 39 K H H 148.01 1.24 12.01 13.37 93.92 59.29 -68.68 -31.82 40.96 0.83 58.20 9.76 7.13 22.91 37.34 21.88 0.11 0.45 0.42 40 R H H 118.95 4.60 10.24 16.52 96.88 52.71 -82.61 -11.82 37.50 1.25 61.25 18.97 7.39 11.25 39.04 22.15 0.03 0.68 0.49 41 R H H 119.39 5.18 10.71 17.62 94.60 79.61 -65.85 -36.99 40.41 1.03 58.56 25.94 6.72 8.63 48.69 9.07 0.01 0.53 0.42 42 H H H 113.83 2.58 12.51 15.81 95.21 55.65 -72.04 -27.47 37.40 1.19 61.41 23.60 5.49 9.28 50.04 10.46 0.01 0.65 0.46 43 W H H 135.32 3.40 11.07 15.95 94.15 67.42 -66.99 -37.81 28.42 0.94 70.64 14.53 4.94 9.67 56.00 13.97 0.03 0.54 0.32 44 R H H 130.38 3.13 11.14 15.60 95.71 55.93 -71.49 -32.71 28.13 1.06 70.81 14.61 4.75 9.61 57.63 12.38 0.03 0.62 0.37 45 R H H 136.12 2.80 10.80 14.86 95.58 58.98 -70.22 -33.83 30.40 0.97 68.63 15.85 5.93 9.70 56.50 11.11 0.03 0.51 0.37 46 T H H 84.21 2.59 10.01 13.81 98.09 56.37 -75.16 -31.57 35.46 0.89 63.66 17.10 6.82 12.22 52.66 10.32 0.04 0.45 0.38 47 K H H 146.54 1.62 9.66 12.15 96.82 58.66 -73.56 -23.82 43.09 1.12 55.79 18.23 8.16 17.59 44.19 10.69 0.06 0.55 0.53 48 L C H 110.27 2.99 8.01 12.59 99.42 57.29 -83.13 -8.16 58.63 1.54 39.83 22.41 11.11 25.85 29.86 9.20 0.05 0.73 0.79 49 K C C 165.82 1.26 9.98 12.19 100.16 -126.27 25.88 35.24 82.35 1.00 16.65 53.46 2.97 26.47 12.53 3.49 0.00 0.53 0.54 50 M C C 117.06 4.39 9.69 15.76 106.04 131.93 -85.36 48.47 99.84 0.08 0.08 99.56 0.17 0.17 0.04 0.01 0.00 0.04 0.02