# 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 134.14 2.95 10.72 15.44 115.67 -172.40 -97.04 132.67 99.40 0.56 0.03 99.20 0.24 0.08 0.01 0.01 0.00 0.39 0.07 1 G C C 51.06 2.71 9.79 14.19 121.80 -138.79 -116.25 172.52 90.58 8.96 0.46 87.69 1.85 1.27 0.16 0.25 0.00 7.30 1.46 2 K C C 162.25 1.47 9.72 12.41 114.12 -81.30 -90.70 134.72 79.18 19.67 1.15 61.83 12.65 4.22 0.39 0.85 0.00 15.94 4.12 3 V C C 104.23 4.10 7.31 13.43 116.45 -151.12 -103.50 130.65 69.59 28.47 1.94 56.94 8.34 3.27 0.90 1.11 0.01 21.26 8.17 4 H C C 146.11 2.07 9.56 13.16 116.17 -162.25 -103.46 133.33 68.17 27.27 4.56 42.18 13.82 13.92 1.93 2.49 0.06 21.32 4.28 5 G C S 53.47 2.14 11.82 14.81 115.08 9.67 95.21 -62.42 84.07 8.92 7.01 26.41 35.27 23.57 3.05 3.35 0.05 6.26 2.05 6 S C C 61.81 4.10 10.93 16.56 118.06 -33.31 -99.48 146.53 79.03 5.15 15.82 55.77 17.04 6.03 11.58 4.38 0.04 2.33 2.83 7 L H G 103.28 4.92 10.22 16.87 94.47 -126.41 -66.02 -28.76 28.08 1.56 70.35 10.57 5.46 12.07 35.02 35.26 0.16 0.96 0.48 8 A H G 69.30 3.18 11.61 16.15 92.81 63.11 -66.23 -31.51 22.36 1.60 76.04 5.46 3.53 12.69 37.73 38.93 0.12 1.23 0.31 9 R H G 156.79 2.08 12.35 15.13 95.09 53.97 -76.57 -18.06 22.06 1.59 76.35 5.63 3.72 12.04 37.48 39.50 0.14 1.10 0.38 10 A H H 59.35 5.50 9.43 16.57 97.39 68.10 -78.52 -7.91 49.09 1.51 49.40 6.57 8.10 32.65 33.01 17.36 0.45 0.79 1.06 11 G C T 52.23 2.52 12.86 16.23 97.58 -100.93 74.09 5.61 74.15 1.27 24.59 10.40 9.69 53.18 17.14 8.01 0.13 0.68 0.78 12 K C C 124.83 3.40 11.85 16.54 102.11 102.93 -84.69 -0.17 63.54 6.94 29.51 36.75 12.16 14.77 18.87 10.24 0.20 3.52 3.51 13 V C C 72.90 6.57 8.98 16.99 101.59 73.95 -80.40 -15.75 53.78 9.48 36.74 35.32 10.43 8.29 24.24 11.85 0.24 4.59 5.04 14 K H G 147.53 2.41 10.84 14.66 94.97 67.40 -67.64 -32.90 41.33 4.39 54.28 18.35 7.70 16.06 23.01 30.52 0.15 2.61 1.60 15 S C G 96.56 0.76 11.39 11.56 96.46 51.80 -78.45 -11.46 50.09 1.74 48.17 13.39 9.04 27.50 17.09 31.03 0.07 0.97 0.90 16 Q C C 129.67 2.17 9.94 13.32 99.97 59.86 -92.63 0.23 63.48 1.98 34.54 27.25 16.44 21.29 9.67 23.17 0.03 0.95 1.19 17 T C C 80.25 5.22 7.49 14.68 116.95 87.52 -99.98 128.14 98.58 0.99 0.43 49.72 48.66 0.37 0.30 0.10 0.00 0.31 0.55 18 P C C 90.86 2.92 9.63 14.38 115.06 -112.58 -67.52 149.44 97.08 1.22 1.70 92.01 3.84 1.39 1.03 0.50 0.00 0.60 0.63 19 K C C 168.61 1.09 9.65 11.84 113.17 -113.30 -80.19 133.33 90.80 7.15 2.05 83.64 4.95 1.13 1.41 0.58 0.00 2.33 5.96 20 V C C 98.51 4.29 6.08 12.39 118.89 -156.82 -105.67 138.54 90.44 5.74 3.82 85.80 3.62 0.75 2.87 0.88 0.00 2.53 3.56 21 E C C 152.65 0.89 9.46 10.74 114.68 -115.09 -77.14 143.21 91.31 2.17 6.52 87.33 3.18 1.39 4.19 1.79 0.00 1.29 0.82 22 K C C 164.10 1.44 7.34 10.42 111.39 -104.66 -75.27 135.31 82.54 2.30 15.16 69.19 8.62 4.73 8.03 7.11 0.00 1.30 1.01 23 Q C C 132.97 1.88 6.69 10.39 116.65 -142.86 -96.70 142.41 82.82 2.60 14.58 69.53 8.98 4.29 7.25 7.34 0.00 1.50 1.11 24 E C C 156.22 1.08 7.29 9.41 110.51 -117.01 -82.99 128.69 86.02 2.44 11.53 75.86 7.13 3.11 6.18 5.18 0.00 1.34 1.20 25 K C C 154.20 1.71 6.54 9.92 114.20 -132.95 -89.21 133.98 92.96 1.37 5.67 82.99 7.66 2.41 3.65 1.80 0.00 0.70 0.81 26 K C C 167.64 0.96 7.06 9.13 111.23 -124.28 -83.46 131.87 95.79 1.28 2.94 86.82 6.67 2.32 1.75 1.02 0.00 0.61 0.82 27 K C C 161.13 1.30 6.78 9.59 113.95 -135.96 -92.71 134.58 96.77 1.97 1.26 80.96 14.06 1.39 0.79 0.42 0.00 0.66 1.72 28 T C C 107.53 1.41 7.33 10.23 116.29 -130.23 -97.18 132.28 98.64 0.73 0.63 84.54 13.36 0.67 0.46 0.17 0.00 0.29 0.52 29 P C C 102.42 2.42 6.78 11.17 112.31 -110.97 -67.25 144.76 92.63 0.73 6.64 78.58 8.04 5.70 5.31 1.53 0.00 0.32 0.52 30 K C C 163.64 1.01 7.77 9.65 113.29 -145.78 -98.57 133.08 85.01 1.04 13.95 66.28 10.71 7.50 11.76 2.52 0.00 0.39 0.83 31 G C C 54.20 1.40 8.80 10.94 112.31 18.06 -25.46 -150.21 60.32 1.36 38.32 39.12 12.36 9.77 29.70 7.63 0.02 0.62 0.76 32 R H H 179.91 1.06 8.79 10.30 99.39 -28.93 -77.59 -21.06 47.27 1.73 51.00 33.56 6.36 8.06 40.65 9.68 0.02 0.96 0.73 33 A H H 68.93 2.74 7.78 12.19 98.11 67.98 -73.20 -30.60 39.25 2.14 58.62 29.66 4.74 5.97 47.02 10.57 0.01 1.36 0.68 34 K H H 141.96 1.83 9.55 12.47 97.26 58.82 -72.17 -31.12 33.38 2.42 64.19 25.39 4.60 5.06 54.04 8.60 0.01 1.61 0.69 35 K H H 145.66 1.56 9.90 12.26 98.13 56.12 -73.69 -28.15 30.74 2.52 66.75 21.98 4.32 5.70 55.94 9.60 0.01 1.75 0.69 36 R H H 159.18 1.99 9.33 12.56 98.25 63.94 -75.15 -27.65 28.51 2.42 69.07 18.75 3.93 6.58 56.92 11.38 0.02 1.77 0.63 37 L H H 112.59 2.51 9.48 13.35 99.49 60.60 -79.84 -18.71 32.79 2.32 64.89 19.52 4.56 8.94 53.75 10.90 0.03 1.64 0.67 38 T H H 95.61 2.01 10.06 13.09 102.36 60.46 -82.37 -12.11 42.32 3.04 54.64 23.77 5.56 13.24 46.83 7.59 0.03 1.94 1.04 39 Y C H 148.39 2.93 8.82 13.34 106.06 65.72 -88.95 34.97 52.66 5.07 42.27 33.37 8.63 10.98 36.92 5.08 0.03 2.78 2.21 40 T C H 87.94 3.03 9.40 14.00 107.51 70.47 -91.32 74.90 52.07 4.94 42.98 35.41 8.19 8.76 37.17 5.54 0.02 2.87 2.03 41 R H H 159.21 2.53 9.65 13.71 102.93 84.86 -81.90 5.84 43.82 4.59 51.59 23.88 7.14 12.88 37.71 13.76 0.07 3.22 1.33 42 R H H 167.21 1.84 9.91 12.91 100.67 64.12 -81.54 -17.90 43.40 6.12 50.48 19.65 8.24 15.22 35.47 15.28 0.13 4.63 1.38 43 F H H 142.19 2.94 8.95 13.39 104.13 55.30 -93.16 6.26 39.49 13.70 46.81 19.35 7.88 13.02 33.12 13.34 0.33 10.10 2.87 44 V C C 103.59 3.20 8.75 13.61 109.19 92.57 -90.78 88.80 52.12 16.77 31.10 27.26 11.09 13.72 25.49 6.13 0.23 13.13 2.95 45 N C C 126.12 1.39 10.47 12.52 101.44 48.37 -92.70 61.48 64.66 15.61 19.72 36.26 10.57 17.40 15.10 5.04 0.10 13.59 1.95 46 I C C 106.89 4.16 7.61 13.82 116.64 141.38 -96.55 133.95 70.69 17.87 11.44 57.38 8.67 3.90 9.49 2.52 0.06 14.66 3.33 47 T C C 103.63 1.80 9.26 12.61 117.63 -155.66 -105.43 134.06 69.72 22.40 7.89 58.27 6.55 3.43 6.71 1.92 0.03 15.94 7.16 48 L C C 120.18 2.86 7.10 12.03 115.50 -149.12 -96.45 128.12 77.99 16.43 5.58 62.46 10.29 4.38 4.14 1.93 0.02 12.66 4.11 49 T C C 110.19 1.40 7.84 10.57 113.58 -169.38 -103.26 128.02 80.93 12.63 6.44 42.97 15.80 23.27 2.88 3.21 0.02 8.80 3.03 50 G C T 67.18 0.47 9.24 9.17 102.22 -9.64 73.44 9.32 91.56 3.06 5.38 21.24 28.20 42.60 1.32 3.70 0.01 1.97 0.96 51 G C S 57.52 1.64 8.59 11.52 113.62 -6.41 84.86 6.62 88.52 4.94 6.55 29.45 35.99 23.87 1.33 4.86 0.01 2.85 1.64 52 K C C 158.37 1.38 9.59 11.99 115.88 -47.11 -93.83 136.83 76.03 14.92 9.05 50.01 16.95 9.00 2.86 6.26 0.03 10.04 4.86 53 R C C 157.70 3.78 8.04 13.96 114.21 -128.36 -87.22 134.16 71.43 18.27 10.30 51.51 11.35 7.94 3.46 7.01 0.02 12.62 6.07 54 K C C 142.47 2.47 9.99 14.25 118.99 -149.30 -99.87 140.47 79.51 12.46 8.03 58.45 12.32 8.32 2.74 5.37 0.01 8.91 3.88 55 M C C 137.15 2.95 9.10 13.81 111.83 -114.46 -78.98 138.32 84.75 9.27 5.98 51.09 23.52 10.25 1.88 3.92 0.03 4.98 4.32 56 N C C 94.30 4.82 8.17 14.84 112.27 -127.08 -95.35 120.72 94.92 4.22 0.86 68.52 23.99 2.28 0.29 0.59 0.00 2.05 2.29 57 P C C 110.46 2.04 9.47 13.06 96.93 -145.74 -68.61 -20.56 94.58 2.53 2.88 41.73 36.64 16.47 0.58 2.19 0.00 1.35 1.04 58 N C C 116.30 2.00 8.50 12.02 110.22 51.34 -103.36 102.62 94.33 2.86 2.82 46.78 37.10 10.60 0.50 2.18 0.00 1.31 1.52 59 P C C 102.08 3.18 7.54 12.67 106.18 -150.92 -72.78 92.49 93.28 1.99 4.72 42.34 11.92 38.98 0.71 4.18 0.00 1.13 0.74 60 G C C 60.83 1.37 9.13 11.53 107.60 2.58 -76.71 43.71 94.26 1.82 3.91 56.67 4.59 33.34 0.84 2.69 0.00 1.20 0.67 61 A C C 80.70 3.18 9.76 14.63 108.15 71.23 -82.69 113.08 99.20 0.60 0.20 98.36 0.64 0.33 0.07 0.07 0.00 0.36 0.18