# 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 133.27 3.17 11.12 16.01 114.86 -157.68 -90.03 131.80 99.80 0.19 0.02 99.71 0.12 0.04 0.01 0.00 0.00 0.10 0.02 1 A C C 74.75 4.15 8.72 14.90 119.31 -144.82 -92.42 150.23 93.93 5.55 0.52 92.44 1.03 1.05 0.17 0.20 0.00 3.70 1.41 2 R C C 175.94 1.75 11.00 14.04 115.44 -119.01 -89.18 136.80 83.24 15.57 1.19 70.92 9.12 2.46 0.43 0.80 0.00 10.63 5.64 3 A C C 72.35 6.33 8.46 16.50 114.89 -122.50 -85.01 133.55 82.82 15.95 1.23 73.04 6.70 2.38 0.47 0.81 0.00 10.88 5.73 4 H C C 132.12 3.51 11.52 16.48 109.31 -168.54 -99.79 48.17 83.47 14.11 2.42 60.72 13.53 8.97 0.90 1.59 0.00 8.80 5.48 5 G C S 49.28 3.20 13.91 17.98 112.89 -62.38 91.31 -135.95 90.09 4.98 4.94 28.38 44.00 18.33 2.29 2.38 0.01 2.87 1.74 6 G C C 32.47 5.58 13.62 20.50 124.40 -13.20 -111.97 165.20 81.53 3.71 14.77 40.99 33.29 7.47 10.69 3.62 0.03 1.21 2.69 7 L H H 84.25 8.45 11.96 21.60 93.40 -101.04 -64.97 -31.23 31.77 1.07 67.16 6.60 6.36 17.78 35.88 32.06 0.23 0.58 0.51 8 T H H 78.56 4.53 13.57 19.53 92.65 58.68 -65.57 -36.53 24.97 1.03 74.00 4.25 3.66 15.43 37.92 37.56 0.18 0.66 0.34 9 S H H 71.91 3.24 13.64 17.89 93.14 55.35 -72.50 -23.67 24.11 1.26 74.63 4.78 3.84 14.11 37.98 37.89 0.18 0.80 0.42 10 A C T 54.54 6.62 10.87 19.04 94.99 59.16 -81.94 -7.71 53.89 1.06 45.05 4.13 7.77 39.78 25.46 21.20 0.30 0.57 0.79 11 G C T 49.03 3.56 13.95 18.61 97.92 -114.21 75.94 8.53 85.68 0.79 13.53 8.68 10.23 66.34 8.42 5.40 0.02 0.41 0.50 12 K C C 120.74 3.81 13.29 18.33 99.07 109.90 -86.20 -9.40 70.02 5.99 23.99 39.55 14.22 16.48 12.60 10.80 0.18 2.85 3.31 13 V C C 58.50 9.35 9.49 19.86 99.78 65.37 -89.58 -0.31 59.43 9.15 31.41 38.37 10.85 10.13 16.40 14.81 0.20 4.60 4.65 14 R H G 151.63 4.05 11.63 17.44 94.57 84.13 -65.85 -34.83 30.13 3.97 65.90 13.11 6.14 12.94 12.33 51.77 0.08 2.75 0.88 15 K H G 171.51 0.66 13.34 12.81 94.51 52.64 -75.29 -15.48 34.74 1.65 63.61 6.10 6.10 22.77 8.90 54.42 0.08 1.08 0.56 16 C H G 90.26 2.94 11.15 15.36 99.04 51.54 -96.50 -2.74 42.51 1.56 55.93 10.63 9.94 23.36 5.46 49.03 0.03 0.86 0.70 17 T C S 62.34 8.44 7.74 17.53 117.90 87.94 -98.43 130.88 98.82 0.91 0.27 37.12 61.51 0.33 0.13 0.07 0.00 0.25 0.59 18 P C C 85.43 3.43 11.17 16.27 114.25 -114.09 -67.66 148.97 97.14 1.32 1.54 86.94 7.57 2.64 0.59 0.81 0.00 0.61 0.83 19 K C C 163.14 1.61 9.98 13.24 114.06 -110.73 -82.56 135.28 90.94 6.94 2.11 77.83 9.25 2.33 1.02 1.00 0.00 2.46 6.11 20 K C C 128.98 4.34 7.01 13.42 119.07 -147.59 -96.76 144.05 91.04 5.41 3.55 82.16 6.82 1.44 2.02 1.39 0.00 2.27 3.89 21 E C C 151.08 1.06 9.76 11.38 114.10 -107.88 -73.18 144.17 91.98 1.80 6.22 86.29 4.12 2.26 2.63 2.88 0.00 0.89 0.93 22 K C C 160.69 1.82 7.35 10.99 110.32 -106.85 -75.67 136.96 83.11 1.48 15.41 61.67 12.74 8.34 4.42 11.25 0.00 0.72 0.85 23 K C C 151.72 1.73 7.24 10.68 115.66 -140.71 -92.84 141.76 85.72 1.37 12.91 61.58 15.45 8.32 3.10 10.12 0.00 0.66 0.78 24 E C C 156.78 1.15 7.69 10.07 111.75 -118.56 -81.26 130.15 90.04 1.46 8.51 72.30 12.60 4.73 2.19 6.58 0.00 0.66 0.93 25 K C C 145.89 2.20 6.74 10.89 116.77 -128.23 -90.32 137.52 98.69 0.69 0.62 78.63 19.38 0.73 0.30 0.26 0.00 0.29 0.42 26 P C C 114.64 1.34 7.73 10.53 111.91 -106.28 -68.32 145.79 98.85 0.72 0.42 91.64 6.34 0.88 0.16 0.20 0.00 0.31 0.47 27 R C C 180.33 1.41 7.61 10.60 114.91 -111.78 -86.30 139.38 98.51 1.28 0.21 85.72 12.22 0.30 0.11 0.08 0.00 0.37 1.22 28 P C C 104.99 2.01 8.22 11.91 115.12 -104.17 -70.78 145.46 99.37 0.38 0.25 90.56 8.32 0.51 0.13 0.08 0.00 0.14 0.25 29 P C C 100.07 3.02 7.93 13.00 111.03 -105.58 -66.24 144.96 95.72 0.69 3.58 77.35 12.16 6.23 2.23 1.19 0.00 0.28 0.58 30 R C C 174.95 1.58 8.73 11.67 116.30 -143.01 -99.56 138.94 91.61 1.93 6.46 70.13 15.29 5.63 4.93 1.59 0.00 0.66 1.77 31 G H H 43.32 2.50 10.49 14.03 118.59 -13.41 -31.17 -159.08 48.40 1.15 50.45 29.89 14.91 5.00 46.90 2.25 0.01 0.36 0.68 32 R H H 160.88 1.83 11.89 14.28 94.08 -58.87 -64.86 -34.71 6.61 0.09 93.30 2.92 1.14 2.95 90.31 2.59 0.01 0.05 0.03 33 A H H 50.90 4.68 10.85 17.34 92.58 54.55 -64.68 -39.54 3.22 0.09 96.69 1.33 0.47 1.61 93.97 2.52 0.01 0.06 0.02 34 Y H H 125.83 3.21 13.03 17.40 92.31 52.12 -64.85 -40.19 1.30 0.06 98.65 0.49 0.20 0.64 96.87 1.76 0.00 0.04 0.01 35 K H H 117.81 2.09 14.48 16.76 92.12 51.05 -64.97 -40.43 1.12 0.05 98.83 0.31 0.14 0.63 97.73 1.15 0.00 0.03 0.00 36 R H H 120.14 3.66 13.93 18.62 92.64 50.45 -65.69 -39.75 1.65 0.05 98.30 0.38 0.15 1.06 96.95 1.41 0.01 0.04 0.01 37 L H H 77.56 5.50 12.63 19.70 92.88 51.85 -65.87 -37.96 3.70 0.05 96.26 0.66 0.30 2.60 94.54 1.85 0.01 0.03 0.01 38 L H H 102.55 2.61 14.31 17.48 92.77 52.59 -68.38 -35.42 12.11 0.09 87.79 1.25 0.91 9.73 85.89 2.10 0.04 0.04 0.04 39 Y H H 140.68 2.68 13.63 16.86 97.61 46.64 -82.47 -24.27 33.93 0.53 65.55 5.63 4.92 23.76 62.56 2.51 0.12 0.21 0.30 40 N C H 73.90 6.19 11.69 19.39 103.09 55.73 -92.98 17.18 50.95 1.67 47.38 25.97 8.43 18.01 40.22 5.65 0.06 0.77 0.88 41 K H H 118.63 4.93 12.54 18.93 95.83 126.63 -67.92 -29.94 32.02 0.94 67.04 9.10 4.40 16.90 42.31 26.29 0.07 0.56 0.37 42 N H H 100.84 2.90 13.86 17.54 94.45 60.78 -70.67 -29.38 31.76 1.02 67.22 6.95 4.09 18.42 44.29 25.13 0.10 0.64 0.38 43 F H H 107.31 5.51 12.80 19.54 98.06 52.41 -82.30 -27.61 31.58 4.01 64.42 9.78 6.00 15.63 43.02 21.32 0.38 2.67 1.21 44 V H H 73.74 7.13 11.58 19.97 100.24 63.46 -79.02 -32.58 38.65 11.71 49.63 18.38 9.51 12.97 41.22 6.54 0.57 7.41 3.38 45 D C H 96.31 3.38 13.34 17.69 99.98 58.01 -81.12 -12.21 53.96 7.97 38.07 25.86 9.56 18.46 32.46 5.88 0.12 6.10 1.55 46 D C C 88.75 4.27 11.76 17.41 102.01 70.02 -83.93 -3.32 57.34 8.71 33.95 35.75 11.95 9.79 28.61 5.67 0.09 6.27 1.88 47 T C C 79.87 4.49 11.07 17.06 104.80 70.96 -86.78 12.43 55.70 14.03 30.27 37.63 9.91 8.06 25.51 5.37 0.13 10.23 3.18 48 L C C 101.66 4.38 10.47 16.41 104.79 75.51 -84.79 26.89 57.55 16.28 26.17 39.48 9.96 7.77 21.57 5.37 0.15 11.60 4.10 49 I C C 101.62 4.52 8.90 15.09 109.96 82.50 -92.86 104.92 65.71 12.65 21.64 39.40 14.79 11.64 16.52 5.47 0.20 8.35 3.63 50 H C T 149.48 1.80 9.34 12.24 103.45 -11.57 -78.96 54.87 75.97 5.20 18.83 20.88 16.01 39.66 10.36 7.90 0.11 3.22 1.87 51 N C T 132.39 1.15 10.18 11.86 99.86 -8.39 20.50 16.50 85.69 1.42 12.89 15.33 17.65 52.94 5.09 7.44 0.01 0.81 0.72 52 G C C 53.89 2.95 10.24 14.69 103.67 -91.23 82.14 6.71 84.05 7.24 8.71 31.66 28.25 25.42 2.04 6.07 0.02 4.45 2.09 53 R C C 147.28 3.42 10.90 16.24 116.29 131.81 -94.04 135.64 79.05 15.70 5.25 59.77 11.92 6.86 2.11 3.33 0.00 11.51 4.50 54 R C C 141.10 5.62 11.29 18.66 115.42 -130.63 -87.87 134.70 75.65 20.59 3.76 62.73 7.95 3.60 2.12 1.89 0.01 14.38 7.32 55 L C C 91.48 7.37 10.92 19.69 112.64 -141.34 -93.08 130.33 84.24 12.36 3.40 66.02 14.15 3.53 2.25 1.41 0.00 7.48 5.15 56 G C C 32.42 5.73 12.56 19.69 125.31 -127.57 -114.90 174.91 90.99 2.29 6.72 63.79 22.55 4.45 5.40 1.58 0.00 1.07 1.16 57 P C T 101.10 2.91 12.90 16.88 96.31 -66.66 -66.85 -24.93 61.29 0.78 37.93 16.37 8.77 36.00 31.58 6.45 0.04 0.39 0.42 58 N C H 98.53 4.35 12.54 18.23 100.24 55.23 -86.92 6.23 53.17 0.73 46.10 17.14 7.10 29.62 39.03 6.29 0.05 0.35 0.41 59 N H H 66.80 8.60 11.42 21.27 101.69 92.10 -74.90 -21.41 28.51 0.59 70.90 19.08 4.92 6.11 65.25 4.12 0.01 0.28 0.22 60 L H H 92.63 3.78 14.17 19.02 95.19 85.49 -67.45 -37.27 8.77 0.24 90.98 5.62 1.46 2.58 88.44 1.69 0.01 0.14 0.06 61 L H H 82.35 3.12 14.87 18.75 93.22 55.09 -65.81 -40.58 3.65 0.24 96.11 2.35 0.60 1.19 94.33 1.30 0.00 0.18 0.03 62 I H H 65.97 5.96 12.67 20.51 92.86 51.05 -65.65 -41.29 2.55 0.35 97.10 1.61 0.39 0.91 95.59 1.15 0.01 0.30 0.04 63 R H H 111.51 5.48 12.11 19.19 92.44 51.84 -64.88 -40.84 2.62 0.30 97.09 1.40 0.37 1.10 95.54 1.30 0.01 0.25 0.04 64 Q H H 125.88 1.47 13.06 14.68 92.85 50.51 -66.06 -39.07 4.14 0.19 95.68 1.37 0.47 2.33 93.69 1.94 0.01 0.15 0.03 65 K H H 144.14 1.67 12.11 14.32 93.14 51.47 -68.65 -32.86 11.58 0.13 88.29 1.55 0.94 8.74 86.12 2.50 0.03 0.08 0.04 66 L H H 95.29 5.09 9.78 16.43 96.06 51.38 -82.02 -11.90 44.93 0.29 54.78 2.74 2.90 37.51 53.91 2.57 0.07 0.14 0.16 67 G C T 54.89 2.16 12.42 15.44 100.14 -108.12 75.70 12.36 86.37 0.35 13.27 22.44 2.22 60.59 13.04 1.34 0.00 0.16 0.20 68 F C C 110.93 7.45 10.52 19.26 105.33 128.93 -86.99 78.15 99.76 0.16 0.08 99.51 0.19 0.13 0.04 0.01 0.00 0.08 0.04