# 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 130.18 3.37 10.65 15.67 118.56 -164.42 -99.73 135.44 99.57 0.36 0.07 99.44 0.19 0.07 0.03 0.01 0.00 0.19 0.06 1 A C C 77.84 3.56 7.52 13.05 115.17 -124.87 -84.96 140.96 84.22 5.79 10.00 79.98 1.35 3.72 7.11 2.06 0.00 3.69 2.09 2 K C C 157.97 1.53 8.52 11.53 115.02 -143.38 -95.68 133.88 78.79 7.72 13.49 61.81 9.56 6.54 10.55 3.79 0.01 5.12 2.62 3 L C C 115.18 3.62 7.04 12.58 114.54 -128.27 -87.22 137.37 72.56 5.61 21.82 57.55 8.14 6.13 17.17 5.46 0.01 3.52 2.04 4 K C C 156.25 1.72 9.98 12.83 104.34 -141.26 -81.35 0.78 59.79 2.46 37.74 32.17 13.40 14.92 30.76 6.45 0.04 1.34 0.91 5 N C H 102.74 3.38 9.54 14.51 109.50 31.22 -96.32 90.51 58.61 1.75 39.65 30.74 12.95 16.11 32.26 6.28 0.04 0.84 0.78 6 H H H 123.05 4.36 9.56 15.64 102.92 113.90 -87.49 5.89 44.16 1.72 54.13 29.12 8.82 8.05 47.50 4.95 0.02 0.81 0.73 7 T H H 80.65 3.57 11.09 16.10 106.18 93.05 -82.67 -17.87 36.20 1.45 62.35 22.98 7.00 8.35 55.91 4.45 0.03 0.76 0.53 8 S H H 66.98 3.11 11.97 16.16 101.19 55.40 -76.60 -26.64 29.06 1.05 69.89 16.77 6.50 8.04 63.23 4.49 0.04 0.56 0.37 9 K H H 115.44 4.04 11.73 17.13 97.43 68.54 -73.06 -30.58 24.41 0.93 74.65 12.89 5.57 8.28 67.79 4.56 0.05 0.50 0.35 10 N H H 87.85 3.88 12.43 17.53 97.01 55.58 -71.52 -33.10 24.83 0.87 74.30 14.10 4.87 8.04 67.91 4.27 0.03 0.47 0.33 11 Q H H 109.89 2.80 13.22 16.78 94.39 55.65 -70.03 -34.42 22.50 0.75 76.74 11.34 4.75 8.28 71.05 3.85 0.04 0.39 0.29 12 N H H 82.22 4.05 12.72 17.99 97.60 54.59 -75.87 -30.28 26.90 0.90 72.19 14.61 5.15 9.03 66.97 3.40 0.03 0.47 0.35 13 R H H 125.64 3.39 12.92 17.43 95.52 63.85 -68.16 -36.52 20.70 0.96 78.34 10.68 4.52 7.61 72.92 3.36 0.06 0.52 0.33 14 K H H 109.87 2.88 13.19 16.96 94.33 54.78 -66.87 -39.07 16.72 1.07 82.21 8.67 3.56 6.64 76.56 3.51 0.08 0.64 0.34 15 D H H 72.55 3.88 11.37 16.83 93.62 52.84 -67.60 -37.56 14.54 0.98 84.48 8.07 2.61 5.66 78.27 4.40 0.06 0.65 0.29 16 H H H 125.04 2.57 11.12 14.75 94.74 49.87 -69.79 -34.85 14.54 0.99 84.47 6.02 2.59 7.53 76.77 5.99 0.11 0.67 0.32 17 R H H 165.36 1.55 11.37 13.35 96.66 48.53 -77.08 -29.28 20.63 0.73 78.64 4.42 3.38 14.11 71.69 5.43 0.23 0.41 0.33 18 N H H 109.61 2.04 11.05 13.80 98.90 29.61 -95.36 2.35 41.70 0.49 57.81 5.15 6.74 30.44 54.14 2.88 0.15 0.19 0.31 19 G C C 54.25 2.33 11.01 14.63 97.56 -111.36 76.67 13.43 95.05 1.29 3.66 33.07 29.54 32.89 1.47 1.87 0.00 0.65 0.52 20 I C C 98.50 4.55 8.14 14.78 116.04 134.89 -92.60 135.07 89.46 7.03 3.51 58.67 24.33 6.21 1.40 2.01 0.00 3.15 4.23 21 K C C 150.76 1.89 11.04 14.30 115.53 -142.80 -93.43 136.92 92.78 4.65 2.57 69.94 19.19 3.36 1.24 1.27 0.00 2.14 2.86 22 K C C 131.78 4.55 9.30 15.90 116.51 -117.70 -85.53 136.54 98.53 0.96 0.51 79.59 18.39 0.65 0.31 0.17 0.00 0.42 0.46 23 P C C 80.86 5.20 8.69 15.82 112.70 -107.67 -67.00 148.36 93.03 0.88 6.09 84.21 4.83 4.23 3.51 2.24 0.00 0.38 0.59 24 K C C 152.49 1.78 9.93 12.91 108.70 -115.29 -77.51 136.39 66.52 1.30 32.18 37.29 16.62 13.04 17.75 13.78 0.01 0.47 1.04 25 K H H 159.51 1.46 9.77 12.12 98.60 -91.18 -73.39 -25.41 46.59 1.00 52.42 15.07 12.45 19.32 29.29 22.73 0.08 0.43 0.62 26 S H H 77.00 2.34 9.99 13.47 98.73 53.37 -80.73 -3.35 41.19 1.10 57.71 18.42 8.19 14.51 34.41 23.33 0.04 0.52 0.57 27 A H H 57.12 5.32 9.39 16.50 96.97 86.43 -73.49 -25.38 38.99 1.25 59.76 20.18 7.99 11.37 40.93 18.30 0.03 0.59 0.60 28 Y H H 120.62 6.13 9.79 17.34 100.99 59.18 -82.36 -13.66 39.86 1.56 58.59 20.74 9.07 11.27 40.31 17.04 0.06 0.73 0.78 29 T H H 93.50 2.48 12.87 16.12 96.30 67.48 -74.11 -27.67 41.01 1.32 57.68 16.47 7.56 16.49 35.46 22.63 0.07 0.67 0.65 30 S C T 71.95 3.52 12.22 16.94 97.59 60.07 -79.26 -7.69 52.12 1.30 46.58 16.32 10.06 25.38 24.91 21.79 0.10 0.59 0.86 31 H C C 89.57 9.48 9.13 19.36 97.68 66.10 -93.58 1.65 69.71 1.87 28.42 34.42 13.94 22.22 11.62 15.47 0.02 0.72 1.59 32 K C T 152.47 2.27 11.20 15.56 109.55 123.53 -65.71 124.56 94.86 0.75 4.40 8.24 7.21 79.57 2.15 1.86 0.00 0.33 0.63 33 G C T 65.34 0.66 13.84 13.11 95.81 16.50 83.05 0.53 97.99 0.38 1.63 6.35 10.92 80.81 0.40 1.13 0.00 0.24 0.15 34 M C C 70.66 9.39 7.10 17.64 119.70 115.67 -82.96 146.75 93.43 6.16 0.41 57.26 34.53 0.46 0.22 0.14 0.00 1.14 6.25 35 C C C 66.61 3.16 12.64 17.07 113.76 -104.70 -67.30 144.31 99.48 0.46 0.06 98.75 0.78 0.03 0.04 0.01 0.00 0.12 0.28 36 P H H 94.37 2.85 11.53 15.97 91.85 -116.90 -58.23 -36.94 2.49 0.00 97.51 0.29 0.19 1.78 97.05 0.69 0.00 0.00 0.00 37 K H H 139.25 1.29 14.01 14.97 91.95 53.67 -65.10 -39.75 0.99 0.00 99.01 0.07 0.06 0.78 98.43 0.66 0.00 0.00 0.00 38 Y H H 110.70 3.35 13.46 17.91 92.28 49.51 -66.22 -40.92 0.22 0.00 99.78 0.03 0.01 0.14 99.36 0.46 0.00 0.00 0.00 39 L H H 67.07 4.82 12.90 19.56 92.08 50.87 -63.84 -41.81 0.12 0.00 99.88 0.01 0.01 0.07 99.80 0.11 0.00 0.00 0.00 40 R H H 126.92 2.08 15.82 17.82 91.64 50.04 -64.09 -41.82 0.19 0.00 99.80 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 41 N H H 82.31 2.34 15.53 18.03 91.81 49.65 -64.83 -40.51 0.49 0.00 99.51 0.04 0.02 0.37 99.48 0.09 0.00 0.00 0.00 42 L H H 78.16 4.03 14.81 20.01 91.97 50.81 -64.62 -40.88 0.61 0.00 99.39 0.07 0.03 0.41 99.31 0.17 0.00 0.00 0.00 43 R H H 125.28 2.72 15.61 18.79 91.92 50.73 -64.67 -41.39 0.82 0.00 99.18 0.12 0.06 0.54 99.01 0.27 0.00 0.00 0.00 44 R H H 128.50 1.82 15.52 16.97 92.11 49.69 -64.89 -41.01 1.25 0.01 98.75 0.23 0.10 0.80 98.41 0.45 0.00 0.00 0.00 45 S H H 55.96 2.78 13.48 17.21 91.96 51.04 -64.76 -40.39 1.97 0.01 98.02 0.42 0.16 1.20 97.51 0.70 0.00 0.00 0.00 46 R H H 137.89 2.71 13.41 16.99 92.44 50.89 -67.39 -37.36 4.50 0.02 95.48 0.60 0.39 3.26 94.43 1.29 0.01 0.01 0.01 47 A H H 72.50 2.28 13.04 15.93 92.79 56.27 -68.11 -32.86 14.54 0.06 85.40 1.02 1.04 12.20 84.35 1.31 0.03 0.02 0.03 48 N H H 113.28 1.81 12.28 14.45 99.07 46.05 -92.35 -3.79 45.07 0.35 54.58 5.65 6.19 32.71 53.24 1.79 0.06 0.12 0.24 49 D C C 63.96 5.95 8.30 16.37 111.48 106.24 -85.69 119.85 81.19 1.07 17.74 56.58 18.32 6.09 14.99 2.81 0.00 0.34 0.86 50 P C H 97.99 2.20 11.14 14.44 96.29 -150.82 -66.41 -22.86 50.57 0.85 48.58 21.84 7.85 21.12 32.26 16.00 0.02 0.41 0.51 51 R H H 154.35 2.12 10.74 13.91 95.01 61.12 -71.16 -23.91 41.48 1.01 57.50 15.18 7.17 18.93 37.96 19.64 0.08 0.49 0.55 52 Q H H 107.04 4.00 9.46 15.04 95.29 66.48 -71.13 -27.45 37.52 1.05 61.42 15.25 7.08 14.45 37.36 24.78 0.05 0.53 0.49 53 S H H 83.27 1.87 10.62 13.37 97.58 57.46 -75.31 -13.87 49.22 1.39 49.39 20.74 8.85 19.41 29.94 19.60 0.05 0.67 0.72 54 L C C 113.88 2.55 9.67 13.54 101.17 69.39 -84.16 1.92 58.12 1.97 39.91 29.27 12.66 17.00 25.21 13.77 0.06 0.89 1.14 55 R C C 144.90 3.09 9.25 14.13 114.67 104.46 -84.21 136.78 73.68 1.05 25.27 45.37 24.10 4.49 22.18 2.87 0.00 0.36 0.63 56 P C C 87.37 3.32 9.29 14.32 110.32 -109.26 -70.10 148.16 60.79 1.47 37.74 47.12 5.54 8.20 30.50 7.19 0.00 0.81 0.64 57 N C C 108.66 2.57 8.68 12.73 106.21 -124.19 -83.31 100.23 52.84 2.62 44.54 36.71 6.99 9.68 31.88 12.14 0.02 1.48 1.10 58 L H H 122.75 2.36 7.48 11.44 98.64 94.41 -75.33 -20.84 46.74 2.75 50.51 27.24 8.39 11.96 33.35 16.40 0.05 1.54 1.06 59 N C C 127.99 1.17 7.68 9.82 99.81 64.43 -81.33 -6.51 54.63 2.49 42.88 29.95 9.35 16.34 27.53 14.33 0.05 1.34 1.11 60 K C C 154.58 1.49 7.42 10.25 104.23 78.60 -84.34 29.58 71.93 1.62 26.46 56.03 3.19 14.33 18.45 6.28 0.00 0.88 0.83 61 E C C 142.13 2.18 9.60 13.31 108.47 -113.18 -82.58 109.86 99.76 0.09 0.15 99.40 0.21 0.22 0.10 0.01 0.00 0.04 0.02