# 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 132.48 3.36 11.22 16.24 112.11 -168.63 -91.76 127.29 99.57 0.40 0.03 99.30 0.28 0.09 0.01 0.01 0.00 0.25 0.05 1 G C C 49.46 3.07 10.44 15.20 123.24 -131.14 -147.75 172.63 91.55 8.18 0.26 89.28 1.79 0.87 0.09 0.15 0.00 6.14 1.68 2 K C C 160.39 1.62 10.93 13.65 114.72 -78.94 -89.83 135.29 80.45 19.09 0.46 67.28 10.66 1.88 0.17 0.36 0.00 14.11 5.54 3 I C C 106.49 6.08 8.09 15.90 116.47 -135.27 -100.85 130.06 78.33 21.08 0.59 71.50 5.14 1.10 0.24 0.37 0.00 14.37 7.28 4 H C C 139.24 2.80 11.14 15.30 115.23 -157.81 -100.57 131.33 81.12 17.12 1.76 47.78 17.68 16.59 0.54 1.25 0.01 12.14 4.01 5 G C S 47.09 3.35 13.70 17.85 108.12 8.66 89.93 -18.76 92.57 5.53 1.90 21.15 47.21 24.75 0.43 1.34 0.00 3.65 1.47 6 S C C 52.14 5.04 13.00 19.51 121.08 57.38 -101.83 155.46 90.98 5.40 3.62 63.30 25.06 1.72 2.66 0.90 0.00 1.50 4.85 7 L H H 85.68 7.59 11.44 20.56 92.71 -118.02 -62.02 -34.09 27.58 0.47 71.94 2.99 3.94 18.94 39.44 34.04 0.14 0.26 0.25 8 A H H 62.05 4.30 12.92 18.67 92.14 58.80 -64.83 -37.15 20.17 0.40 79.43 1.71 1.99 14.49 41.95 39.37 0.09 0.27 0.12 9 R H H 152.42 2.37 13.66 16.78 92.81 51.97 -70.69 -27.61 17.24 0.52 82.24 2.05 2.11 11.32 44.83 39.08 0.12 0.33 0.16 10 A H H 54.58 6.37 10.27 18.23 94.90 58.10 -79.74 -7.95 41.89 0.78 57.33 2.81 5.02 31.52 35.72 23.45 0.44 0.38 0.66 11 G C T 52.52 2.70 13.48 17.15 96.53 -110.22 78.29 9.03 85.85 0.63 13.51 6.39 7.53 71.63 6.72 6.92 0.02 0.34 0.45 12 K C C 127.44 3.40 12.56 17.23 98.62 110.55 -86.40 -7.06 73.99 5.13 20.87 34.54 16.56 23.43 7.38 12.47 0.18 2.18 3.26 13 V C C 64.98 8.61 8.28 17.84 105.86 68.94 -97.88 66.84 67.74 9.71 22.55 41.78 14.29 11.32 8.85 13.10 0.15 3.87 6.64 14 K C T 152.47 2.00 11.37 14.58 97.35 111.21 -69.15 -31.17 60.08 3.39 36.53 15.23 10.75 35.48 5.90 29.02 0.04 1.97 1.61 15 N C T 136.54 0.74 12.09 12.04 98.12 36.70 -88.13 6.40 63.96 1.63 34.41 10.03 12.11 41.85 3.98 30.26 0.02 0.92 0.83 16 Q C C 123.76 3.15 9.37 14.19 103.65 79.43 -90.49 26.70 73.48 2.61 23.91 37.08 21.71 14.27 2.75 21.50 0.01 1.18 1.50 17 T C C 87.86 4.26 8.20 14.46 117.51 101.26 -99.44 130.47 97.38 1.93 0.70 59.69 36.85 0.90 0.34 0.28 0.00 0.64 1.31 18 P C C 88.13 3.72 9.56 15.16 114.20 -107.97 -68.76 149.31 96.28 1.51 2.20 77.69 13.56 5.01 0.86 1.29 0.00 0.84 0.75 19 K C C 168.41 1.07 10.60 12.48 112.97 -114.34 -82.96 131.82 88.64 9.21 2.14 76.64 8.13 2.62 1.05 1.07 0.00 4.12 6.37 20 V C C 92.36 5.74 6.30 13.70 119.11 -154.88 -102.53 137.83 88.20 9.60 2.20 82.13 4.53 0.89 1.36 0.82 0.00 4.56 5.71 21 A C C 82.31 1.41 9.96 12.17 115.11 -110.35 -70.58 149.09 92.06 3.26 4.69 86.86 3.81 1.91 1.96 2.24 0.00 1.86 1.36 22 K C C 168.20 1.22 8.35 10.93 110.15 -104.02 -73.49 137.35 85.78 2.40 11.82 62.16 15.50 7.87 3.27 8.72 0.00 1.32 1.17 23 Q C C 130.26 2.32 6.85 11.17 118.73 -131.53 -97.09 144.03 88.82 2.03 9.15 66.27 15.24 6.99 2.22 7.17 0.00 1.06 1.05 24 E C C 159.06 1.00 7.95 10.04 111.34 -118.66 -84.49 130.45 93.03 1.95 5.01 77.88 11.61 3.29 1.60 3.42 0.00 0.89 1.29 25 K C C 146.87 2.13 6.80 10.88 117.38 -121.45 -92.66 137.59 98.63 0.84 0.52 82.19 15.81 0.64 0.26 0.21 0.00 0.34 0.54 26 P C C 111.56 1.52 7.79 10.85 111.97 -106.29 -68.02 146.25 98.63 0.69 0.68 91.03 5.85 1.79 0.25 0.35 0.00 0.33 0.41 27 K C C 163.05 1.34 7.83 10.60 112.71 -113.98 -85.21 138.46 97.66 1.69 0.65 78.33 17.49 1.42 0.28 0.32 0.00 0.58 1.57 28 Q C C 141.23 1.42 8.71 11.51 116.07 -123.85 -94.90 133.38 98.44 1.23 0.34 74.48 23.53 0.43 0.20 0.11 0.00 0.46 0.79 29 P C C 89.05 4.55 7.20 13.76 112.81 -110.44 -67.16 144.15 95.76 1.45 2.80 84.90 7.61 3.27 1.76 0.83 0.00 0.64 0.99 30 R C C 176.72 1.39 9.36 11.76 116.65 -154.84 -104.50 141.07 91.31 2.51 6.19 76.91 10.17 3.55 5.11 1.24 0.00 0.92 2.10 31 G H H 47.17 1.68 11.73 13.66 116.66 4.98 67.14 -148.47 42.06 1.46 56.48 25.23 13.76 5.41 51.54 2.74 0.02 0.47 0.84 32 R H H 162.98 1.59 11.64 13.59 94.69 -39.92 -66.31 -33.65 7.39 0.25 92.36 3.75 1.68 3.16 87.77 3.40 0.02 0.14 0.07 33 A H H 50.26 4.25 10.43 16.61 92.55 54.58 -64.33 -39.26 3.50 0.31 96.19 1.52 0.72 1.76 92.03 3.64 0.03 0.25 0.06 34 L H H 88.81 2.96 12.58 16.69 92.19 51.91 -64.36 -40.23 1.72 0.24 98.04 0.60 0.34 0.92 95.09 2.79 0.02 0.21 0.03 35 K H H 119.96 1.74 14.04 15.71 92.19 51.18 -64.82 -40.42 2.01 0.28 97.71 0.55 0.32 1.23 95.28 2.31 0.03 0.23 0.05 36 R H H 125.80 2.97 13.08 17.03 92.85 50.84 -65.85 -39.50 3.17 0.28 96.55 0.75 0.36 2.20 93.51 2.83 0.04 0.24 0.07 37 L H H 84.66 4.39 11.94 17.94 92.80 52.59 -66.19 -37.51 7.11 0.20 92.68 1.32 0.67 5.29 88.97 3.45 0.08 0.14 0.09 38 K H H 135.14 1.77 13.53 15.53 92.67 52.69 -67.84 -33.14 20.79 0.26 78.96 2.12 1.58 17.07 75.68 3.13 0.14 0.12 0.15 39 Y H H 146.16 2.08 12.39 14.94 97.92 47.39 -85.13 -20.76 43.22 1.07 55.71 9.51 7.11 27.55 51.17 3.41 0.19 0.43 0.64 40 T C H 68.13 5.27 10.31 17.22 102.31 58.88 -86.47 -6.75 51.28 3.16 45.56 31.41 8.95 12.20 37.96 6.35 0.06 1.50 1.57 41 R H H 145.14 3.31 11.63 16.32 96.64 82.25 -69.71 -29.41 35.30 2.44 62.26 16.50 5.49 13.06 39.23 23.36 0.06 1.56 0.74 42 R H H 151.63 2.45 11.89 15.32 95.41 60.68 -71.94 -27.26 33.40 3.09 63.50 13.15 5.25 14.06 39.63 24.91 0.10 2.10 0.80 43 F H H 121.19 4.41 10.59 16.42 100.56 50.25 -87.07 -7.25 33.24 6.11 60.64 14.12 6.39 13.02 37.65 22.83 0.29 3.98 1.72 44 L C H 103.46 4.43 9.79 15.82 98.56 77.83 -78.41 -16.73 49.47 7.96 42.56 17.91 10.46 21.90 31.86 9.68 0.64 4.85 2.70 45 S C T 86.57 1.76 11.11 13.63 101.29 52.37 -90.09 20.26 69.03 5.59 25.38 25.93 12.63 30.80 18.75 6.56 0.12 3.49 1.74 46 K C C 133.21 3.27 9.06 14.28 114.74 112.86 -92.97 130.68 79.98 8.23 11.79 51.45 18.83 9.40 8.64 3.63 0.04 4.83 3.18 47 T C C 100.49 2.33 9.70 13.66 116.31 -142.48 -99.38 130.94 82.40 12.66 4.95 65.52 10.91 4.70 3.66 1.77 0.01 7.48 5.96 48 V C C 102.47 3.89 7.57 13.50 115.63 -158.26 -99.06 130.07 85.03 12.79 2.18 66.53 14.92 2.50 1.47 0.91 0.00 6.17 7.51 49 K C C 147.84 1.49 9.15 11.91 119.26 -148.33 -100.70 141.59 93.68 5.25 1.06 64.97 24.67 4.01 0.44 0.63 0.00 2.31 2.97 50 P C T 121.96 1.11 8.22 10.48 110.51 -89.43 -61.11 136.23 94.82 1.08 4.10 10.82 12.81 71.14 0.91 3.14 0.00 0.68 0.50 51 G C T 66.64 0.55 10.14 9.87 98.25 15.45 84.50 -1.83 94.40 0.91 4.69 11.30 14.50 68.58 0.97 3.71 0.00 0.59 0.35 52 E C C 123.01 2.59 8.07 12.65 119.11 113.47 -90.98 146.19 87.14 6.40 6.46 59.18 21.72 5.81 1.85 4.70 0.00 3.17 3.57 53 K C C 154.76 2.02 9.14 12.79 114.92 -124.76 -87.56 135.95 81.75 11.55 6.70 68.09 8.67 4.00 3.11 3.65 0.00 6.62 5.85 54 V C C 95.78 5.06 7.87 14.77 116.21 -138.50 -96.08 137.21 83.47 9.77 6.76 68.70 9.97 4.34 2.82 3.93 0.00 6.37 3.85 55 H C C 145.28 2.09 10.52 13.97 115.10 -129.59 -89.69 136.90 85.83 7.69 6.48 71.67 9.23 4.66 2.57 3.86 0.00 5.14 2.87 56 M C C 132.79 3.70 8.52 13.97 112.23 -123.33 -80.59 136.22 84.17 7.04 8.79 54.91 16.87 12.33 2.85 5.87 0.01 4.11 3.05 57 N C C 101.81 4.11 8.19 14.07 111.28 -123.71 -92.98 118.32 89.56 5.33 5.11 61.23 17.04 10.90 1.57 3.55 0.00 2.76 2.94 58 K C C 164.31 1.41 10.18 12.48 99.22 -157.85 -78.92 -10.01 92.59 3.81 3.60 48.62 32.80 11.29 1.05 2.38 0.00 1.83 2.01 59 Q C S 128.48 2.27 8.73 12.76 115.25 73.76 -99.60 125.73 97.04 2.46 0.50 41.89 53.55 1.70 0.17 0.28 0.00 1.03 1.39 60 P C C 85.04 3.95 8.16 14.09 115.17 -115.03 -67.25 150.56 95.29 1.17 3.54 74.68 10.62 9.37 0.68 3.33 0.00 0.64 0.67 61 P C T 117.23 1.52 9.89 12.49 106.81 -101.91 -68.20 133.97 87.91 1.25 10.84 30.51 13.38 43.13 1.09 10.66 0.00 0.68 0.55 62 G C T 55.62 2.59 8.75 12.98 111.83 12.96 -41.49 141.75 83.64 3.12 13.24 29.80 15.46 38.02 1.31 12.55 0.01 1.74 1.11 63 K C C 150.69 2.44 8.78 13.01 112.71 -105.26 -93.04 129.92 83.37 5.85 10.78 58.90 14.38 9.11 1.98 9.75 0.01 3.23 2.64 64 A C C 86.73 2.48 8.50 12.92 115.92 -145.17 -94.21 143.14 90.60 6.57 2.83 82.56 2.81 5.20 1.11 1.41 0.00 3.54 3.38 65 G C C 52.40 2.91 12.23 16.45 115.10 8.95 86.64 -150.12 99.47 0.47 0.06 98.82 0.52 0.24 0.02 0.02 0.00 0.30 0.08