# 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 S C C 69.82 5.63 12.21 19.31 116.96 -169.22 -103.84 141.31 99.28 0.53 0.20 99.05 0.24 0.15 0.12 0.03 0.00 0.28 0.12 1 A C C 76.62 4.10 9.70 15.39 110.38 -145.25 -88.64 115.75 77.30 4.68 18.02 67.99 2.30 6.74 14.69 3.48 0.00 2.75 2.06 2 E C C 140.12 2.28 9.24 13.01 106.74 64.98 -85.07 88.15 68.66 7.09 24.24 45.24 11.79 11.45 18.82 5.79 0.05 4.29 2.57 3 S C C 78.98 3.05 9.33 13.96 111.15 73.41 -88.90 121.43 65.53 6.19 28.28 38.94 13.11 13.87 21.36 6.80 0.08 3.84 2.01 4 G C C 47.38 3.77 10.27 15.51 106.21 29.82 40.07 -10.30 63.76 5.23 31.00 34.69 15.93 14.32 23.15 6.98 0.11 2.97 1.84 5 K C C 132.40 3.32 10.05 14.84 106.04 84.80 -84.40 43.72 57.12 6.54 36.34 36.47 12.40 9.40 28.66 6.74 0.11 3.55 2.67 6 N C C 98.93 3.67 9.86 14.99 107.32 62.94 -84.46 113.04 57.83 4.83 37.34 40.08 8.65 9.52 27.70 9.22 0.04 2.88 1.90 7 E C H 139.87 2.58 9.38 13.46 99.14 -123.03 -74.31 -12.13 55.97 3.63 40.40 26.32 10.60 20.45 27.55 11.32 0.13 1.99 1.65 8 K C T 151.99 1.67 10.30 12.82 100.14 62.28 -84.50 4.46 70.49 1.82 27.69 17.90 13.05 39.30 18.31 9.40 0.06 0.99 0.98 9 G C T 56.17 2.17 10.94 14.30 102.70 -96.26 82.20 8.30 90.12 2.16 7.72 33.59 23.15 33.79 3.47 3.88 0.00 1.12 1.00 10 L C C 98.48 4.32 8.61 14.94 118.16 125.81 -91.66 137.34 96.45 3.27 0.28 60.22 35.89 0.54 0.12 0.12 0.00 1.17 1.94 11 P C C 91.19 2.84 11.27 15.63 115.35 -106.02 -67.42 150.23 98.73 1.10 0.17 94.46 3.83 0.48 0.06 0.09 0.00 0.53 0.55 12 P C C 99.24 3.60 9.79 15.39 111.49 -101.66 -66.26 147.42 97.98 1.33 0.69 80.80 14.05 2.79 0.22 0.46 0.00 0.46 1.22 13 N C C 108.25 3.50 9.34 14.62 111.88 -110.12 -90.51 120.85 97.78 1.18 1.04 79.43 16.05 2.12 0.39 0.63 0.00 0.46 0.92 14 P C C 97.13 3.42 8.65 14.03 109.54 -125.00 -69.12 143.78 79.67 1.71 18.62 57.07 8.53 12.43 2.87 17.36 0.00 0.90 0.84 15 K C C 160.08 1.48 9.06 11.53 108.09 -102.67 -80.46 114.46 77.54 2.71 19.75 47.52 14.31 15.22 3.05 17.20 0.00 1.39 1.32 16 K C C 152.36 2.07 8.52 12.24 109.72 -125.12 -89.67 112.95 77.70 4.38 17.92 53.79 14.07 9.46 3.24 14.97 0.00 2.26 2.21 17 Q C C 130.50 2.79 7.64 12.42 113.42 -149.91 -89.98 131.19 91.54 3.97 4.49 72.90 14.67 3.38 2.00 2.41 0.00 1.59 3.05 18 S C C 85.30 1.93 8.43 12.07 117.10 -128.78 -96.16 140.19 98.03 1.47 0.50 82.46 14.99 0.57 0.27 0.18 0.00 0.57 0.95 19 P C C 108.00 1.84 8.68 12.19 115.43 -103.55 -70.87 148.58 98.79 0.52 0.69 92.79 5.03 1.03 0.36 0.27 0.00 0.25 0.28 20 P C C 105.49 2.56 7.48 12.12 113.46 -102.48 -67.61 145.77 96.91 0.98 2.12 89.08 4.67 3.17 0.82 1.16 0.00 0.43 0.67 21 K C C 166.61 1.15 8.44 10.69 112.75 -121.05 -84.78 134.59 94.76 2.83 2.41 75.89 15.87 2.40 1.13 1.23 0.00 0.93 2.56 22 K C C 160.86 1.34 8.19 10.98 116.36 -115.67 -88.00 136.55 97.78 1.33 0.89 78.90 18.30 0.67 0.58 0.31 0.00 0.59 0.66 23 P C C 103.40 2.44 7.09 11.64 114.16 -107.00 -66.53 147.66 95.98 1.70 2.32 92.43 2.28 1.53 1.01 0.98 0.00 0.72 1.04 24 A C C 93.53 1.24 7.54 10.15 111.05 -104.42 -75.23 145.61 95.07 1.89 3.04 87.47 4.97 2.53 1.33 1.57 0.00 0.83 1.30 25 S C C 95.42 1.12 7.78 10.09 113.72 -105.46 -83.02 137.87 96.00 1.71 2.29 83.92 8.78 3.10 0.89 1.36 0.00 0.81 1.15 26 A C C 90.55 1.52 7.47 10.56 114.69 -109.74 -78.42 144.98 96.82 1.86 1.32 86.78 8.16 1.60 0.54 0.73 0.00 0.78 1.41 27 A C C 88.07 1.67 7.60 11.04 116.32 -106.16 -76.33 145.20 98.67 1.06 0.26 91.80 6.50 0.36 0.12 0.11 0.00 0.47 0.64 28 P C C 107.76 1.92 7.95 11.68 114.51 -103.26 -67.10 147.41 98.66 0.97 0.37 95.38 2.63 0.70 0.14 0.17 0.00 0.40 0.59 29 T C C 115.90 1.29 7.98 10.69 110.26 -112.66 -79.86 141.76 98.03 1.52 0.45 87.21 9.66 0.90 0.18 0.24 0.00 0.55 1.26 30 E C C 144.05 1.79 7.99 11.49 116.13 -106.83 -89.94 138.26 98.51 1.15 0.33 86.85 11.26 0.44 0.17 0.14 0.00 0.51 0.62 31 P C C 109.60 1.80 8.94 12.27 111.83 -108.19 -69.01 146.02 96.66 1.85 1.49 90.05 4.02 2.57 0.52 0.86 0.00 0.84 1.13 32 F C C 133.63 5.12 6.56 13.36 114.24 -114.44 -89.72 135.07 92.89 4.60 2.50 80.12 7.57 4.20 0.98 1.49 0.00 1.75 3.89 33 D C C 115.34 1.72 9.95 12.79 110.16 -150.24 -99.86 110.90 92.76 3.93 3.31 71.22 15.19 5.82 1.29 2.03 0.00 1.75 2.70 34 N C C 108.28 3.89 7.78 13.45 107.37 -165.14 -96.59 78.71 88.57 2.99 8.44 57.72 19.07 11.70 3.34 4.96 0.00 1.46 1.74 35 T C C 109.66 1.56 9.42 11.99 99.81 123.78 -89.94 -1.66 83.43 2.59 13.97 38.13 23.21 22.73 5.93 7.44 0.01 1.35 1.20 36 T C C 103.36 1.77 9.83 12.71 107.57 84.12 -97.77 33.84 77.76 5.90 16.34 37.42 21.35 19.96 7.70 7.94 0.04 3.14 2.44 37 Y C C 132.82 5.55 6.77 13.94 115.65 114.72 -91.62 130.60 73.57 8.81 17.62 53.81 11.35 7.68 10.32 7.58 0.02 5.02 4.23 38 K C C 148.32 1.96 10.72 14.01 114.27 -158.96 -100.94 132.91 69.69 10.40 19.90 47.22 13.18 8.95 12.12 7.91 0.06 5.91 4.66 39 N C C 95.22 4.21 9.42 15.20 109.41 -108.00 -89.80 102.24 70.52 9.65 19.83 47.98 13.21 9.17 9.84 10.00 0.05 5.17 4.58 40 L C G 105.21 4.45 9.03 15.24 97.42 -162.26 -75.49 -14.35 53.64 4.36 42.00 28.19 9.62 16.86 10.32 30.89 0.01 2.79 1.31 41 Q C G 129.56 2.21 9.85 13.41 96.92 74.67 -74.87 -14.44 55.36 3.44 41.20 16.08 11.26 29.35 8.84 31.10 0.04 2.21 1.11 42 H C G 142.52 2.10 10.18 13.34 102.76 54.40 -96.08 17.49 58.29 4.90 36.81 24.09 12.99 23.67 6.37 28.18 0.03 2.97 1.70 43 H C C 102.94 5.78 8.10 15.73 118.36 120.35 -99.90 136.74 81.85 10.38 7.78 54.78 20.05 6.50 3.35 4.46 0.04 5.11 5.70 44 D C C 111.91 2.04 11.11 14.40 110.64 -143.64 -95.79 113.13 85.05 11.63 3.32 70.07 8.51 5.51 1.40 1.98 0.00 5.84 6.69 45 Y C C 134.26 5.81 8.20 15.61 103.54 172.57 -101.37 17.16 85.29 8.08 6.63 60.86 12.80 10.88 3.42 3.26 0.01 4.02 4.75 46 S C S 81.62 2.49 10.01 13.87 106.34 124.29 -87.00 -4.55 88.50 2.52 8.98 25.26 32.74 30.92 4.82 3.83 0.01 1.38 1.03 47 T C S 108.69 1.43 11.91 13.51 99.86 41.01 -92.62 -10.88 84.05 4.25 11.70 17.53 38.77 28.73 6.46 4.34 0.06 2.36 1.76 48 Y C C 107.22 6.29 9.22 17.33 121.47 67.01 -110.76 139.74 76.10 14.78 9.12 41.55 27.31 6.83 6.32 3.12 0.05 6.68 8.13 49 T C C 62.63 4.11 12.72 18.33 122.27 -141.02 -92.57 161.32 77.53 12.74 9.72 70.27 5.48 1.40 9.24 1.01 0.00 5.85 6.75 50 F H H 126.34 5.04 11.84 18.58 91.93 -110.07 -59.53 -37.00 12.16 0.93 86.91 5.13 2.62 5.99 80.16 5.09 0.12 0.62 0.28 51 L H H 104.07 2.16 13.90 16.41 92.18 53.63 -64.78 -39.39 8.73 0.73 90.54 2.69 1.45 5.22 82.55 7.24 0.13 0.55 0.17 52 D H H 71.82 3.90 13.52 18.72 92.33 50.39 -66.85 -37.82 7.34 0.84 91.82 2.50 1.23 4.12 81.27 9.97 0.08 0.69 0.14 53 L H H 67.53 7.04 11.66 20.35 92.43 52.21 -66.06 -38.92 11.85 1.32 86.83 4.31 2.13 6.19 77.66 8.32 0.16 0.85 0.37 54 N H H 90.07 3.43 13.95 18.40 92.46 52.06 -67.58 -35.40 26.80 1.80 71.40 12.01 4.19 11.46 64.83 5.60 0.07 1.13 0.70 55 L H H 92.78 2.67 13.48 16.72 93.63 55.19 -67.38 -38.81 25.70 1.91 72.40 12.68 4.57 9.61 62.20 8.90 0.08 1.10 0.85 56 D H H 81.50 3.55 13.86 18.34 93.75 52.36 -68.95 -34.89 26.31 2.03 71.65 12.45 4.02 10.91 59.61 10.86 0.10 1.28 0.78 57 L H H 78.87 6.88 10.77 19.08 93.34 56.92 -70.28 -28.69 24.35 1.50 74.14 9.94 4.19 10.73 55.98 17.55 0.13 0.86 0.62 58 S H H 72.56 3.20 12.02 16.70 92.26 65.31 -68.34 -24.46 31.57 1.44 66.99 10.31 4.34 15.81 43.62 24.42 0.10 0.88 0.53 59 K C T 152.33 1.45 13.49 14.87 94.39 57.72 -77.98 -14.47 49.94 1.21 48.85 8.42 6.36 32.92 29.04 21.81 0.12 0.70 0.63 60 F C T 112.05 6.31 10.33 18.09 105.53 55.44 -101.00 34.74 62.59 3.22 34.19 19.62 12.16 31.02 17.48 16.41 0.10 1.87 1.34 61 R C C 151.09 3.87 11.99 17.76 117.04 123.21 -88.02 137.23 79.83 17.54 2.63 64.08 11.75 2.56 1.70 1.06 0.00 9.20 9.66 62 M C C 103.80 6.61 10.51 18.77 117.66 -140.62 -97.41 136.27 82.04 17.53 0.43 71.68 9.61 0.59 0.24 0.21 0.00 13.54 4.13 63 P C C 84.90 4.38 12.12 18.13 114.02 -108.47 -66.82 148.04 74.69 24.66 0.65 65.22 7.74 0.86 0.34 0.34 0.00 14.80 10.69 64 Q C C 105.68 5.25 9.50 16.67 115.53 -123.26 -91.49 135.48 88.23 11.10 0.67 78.90 7.84 0.73 0.32 0.34 0.00 5.10 6.77 65 P C T 91.62 3.85 9.22 14.85 106.63 -112.63 -65.54 150.38 72.47 2.52 25.01 22.64 11.21 36.18 1.69 26.00 0.00 1.53 0.74 66 S C T 95.46 1.28 9.00 11.11 99.33 -30.92 -77.77 -6.99 71.10 2.73 26.17 12.89 13.36 42.90 1.56 26.74 0.01 1.59 0.96 67 S C T 84.02 1.85 9.19 12.03 100.30 57.65 -87.84 -0.17 70.75 2.24 27.01 13.07 17.52 38.06 1.42 27.80 0.01 1.22 0.90 68 G C C 58.65 1.86 9.50 12.78 100.66 -109.98 80.12 6.86 91.09 3.56 5.35 32.21 28.21 30.59 0.74 4.97 0.00 1.98 1.31 69 R C C 147.89 2.46 9.20 13.57 118.32 131.54 -90.08 143.17 85.13 12.66 2.21 62.04 18.39 4.08 0.69 1.70 0.00 7.42 5.68 70 E C C 143.48 2.10 11.29 14.87 113.21 -108.47 -75.26 142.41 76.67 21.29 2.04 60.60 11.37 2.67 0.87 1.27 0.00 9.58 13.64 71 S C C 57.14 7.75 7.48 16.54 116.89 -112.75 -81.90 143.65 92.81 5.88 1.30 71.78 17.31 3.41 0.30 1.21 0.00 3.83 2.15 72 P C C 98.94 3.42 10.05 15.10 104.00 -112.91 -72.75 83.34 92.95 3.57 3.47 53.51 17.02 22.23 0.49 3.42 0.00 2.31 1.03 73 R C C 168.60 2.43 8.63 12.78 109.78 -143.69 -90.84 103.31 92.87 3.92 3.21 72.59 4.21 16.26 0.77 2.09 0.00 2.57 1.50 74 H C C 133.49 4.03 9.87 15.67 112.01 -147.62 -92.75 122.98 99.11 0.80 0.09 98.81 0.32 0.16 0.03 0.03 0.00 0.51 0.14