# 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 121.13 4.18 9.86 15.93 118.63 -149.06 -94.93 138.84 99.96 0.04 0.00 99.83 0.13 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 100.25 2.74 9.14 13.74 114.26 -106.10 -67.94 148.91 99.08 0.53 0.39 97.87 0.30 1.18 0.10 0.12 0.00 0.22 0.20 2 K C C 163.85 1.40 8.19 11.16 114.28 -115.65 -82.33 137.10 92.68 5.99 1.32 83.27 6.60 2.46 0.44 0.81 0.00 2.83 3.59 3 M C C 136.18 3.14 7.12 12.37 114.25 -126.24 -86.26 134.93 88.96 9.38 1.66 79.66 7.08 1.89 0.67 0.91 0.00 5.59 4.18 4 K C C 153.53 1.86 10.04 13.31 117.26 -144.21 -100.24 137.83 87.61 10.10 2.29 75.32 9.59 2.34 1.23 1.04 0.00 6.06 4.42 5 T C C 86.16 5.77 8.59 16.20 118.45 -135.68 -98.65 140.87 87.40 8.56 4.04 71.58 12.51 3.01 2.74 1.45 0.00 4.88 3.82 6 H C C 112.25 5.29 10.75 17.51 110.47 -125.91 -87.01 119.45 88.42 4.57 7.02 76.57 8.65 2.79 6.03 1.45 0.00 2.36 2.15 7 R H H 166.45 2.46 12.55 16.25 95.91 -147.79 -66.10 -31.79 37.15 1.21 61.63 18.06 7.46 13.01 45.21 15.01 0.06 0.63 0.56 8 G H H 40.69 3.37 13.05 17.62 93.70 56.27 -65.68 -34.82 32.45 0.58 66.97 8.36 5.61 17.74 47.36 20.27 0.07 0.32 0.28 9 A H H 40.64 9.05 11.32 21.82 93.73 54.04 -70.31 -29.78 22.21 0.74 77.05 7.35 3.92 10.14 52.57 25.27 0.05 0.43 0.27 10 A H H 50.65 8.90 12.01 22.12 93.63 67.01 -64.89 -30.64 23.19 1.17 75.64 9.03 4.23 9.46 50.93 25.22 0.06 0.69 0.39 11 K H H 146.29 2.08 16.46 18.77 93.67 60.79 -74.95 -13.82 41.07 1.83 57.10 12.47 7.04 20.60 36.49 21.48 0.12 1.12 0.67 12 R C T 122.03 6.68 14.74 22.40 96.42 63.73 -89.78 -12.04 56.33 5.08 38.59 18.08 14.15 25.15 22.35 15.20 0.19 3.47 1.40 13 V E E 47.99 14.81 10.01 24.72 122.30 81.97 -105.55 136.50 46.98 48.07 4.95 35.61 8.75 3.06 3.43 2.07 0.09 42.31 4.67 14 K E E 120.09 3.47 16.63 21.40 125.93 -169.81 -122.15 145.66 23.74 75.52 0.74 21.42 1.72 0.45 0.50 0.28 0.00 74.64 0.99 15 R E E 146.39 5.58 10.95 18.57 115.63 -123.09 -88.60 131.75 8.35 91.48 0.17 7.39 0.40 0.06 0.20 0.04 0.00 65.89 26.02 16 T C C 53.81 6.02 8.25 16.40 123.15 -137.79 -85.50 169.52 95.27 4.65 0.08 95.48 0.45 0.10 0.02 0.03 0.00 3.22 0.70 17 A C T 106.81 0.33 9.42 8.85 90.41 -95.19 -62.74 -25.19 98.71 0.60 0.69 1.22 6.78 90.75 0.06 0.64 0.00 0.47 0.09 18 S C T 92.27 0.70 10.08 10.27 93.40 56.84 -86.86 -2.31 99.15 0.09 0.76 0.63 6.02 92.48 0.05 0.75 0.00 0.05 0.02 19 G C S 45.29 3.98 10.35 16.15 97.79 -103.50 87.46 6.13 99.34 0.24 0.42 10.79 87.04 1.67 0.03 0.27 0.00 0.11 0.08 20 Q C C 97.30 3.52 12.44 17.67 119.51 132.05 -84.16 147.86 95.77 4.13 0.09 90.06 5.85 0.24 0.04 0.04 0.00 2.75 1.01 21 L E E 71.53 10.65 10.41 22.26 115.79 -119.96 -88.79 133.83 2.55 97.43 0.02 2.49 0.12 0.01 0.02 0.01 0.00 86.17 11.19 22 K E E 99.89 6.44 15.42 23.38 125.24 -169.98 -120.03 145.46 12.80 87.09 0.11 12.51 0.48 0.08 0.08 0.04 0.00 86.21 0.60 23 R E E 120.67 9.77 12.18 22.91 119.91 -140.17 -99.99 138.66 42.91 56.04 1.05 38.49 3.36 0.59 0.66 0.42 0.00 54.25 2.23 24 S C C 54.06 7.80 11.67 20.94 118.39 -129.44 -92.52 145.51 79.75 10.79 9.46 68.44 8.17 3.13 6.33 3.00 0.00 9.53 1.39 25 R C C 157.45 3.84 12.06 17.53 111.20 -131.22 -84.21 132.16 53.34 2.33 44.33 34.27 9.35 9.95 19.19 25.05 0.01 1.41 0.77 26 A H G 72.26 4.01 11.23 16.80 109.37 -107.52 -75.49 133.02 44.66 1.32 54.03 17.15 10.39 16.97 24.04 30.13 0.05 0.69 0.59 27 F H G 128.20 5.06 10.48 17.01 101.19 25.98 -88.15 42.46 43.84 1.56 54.60 22.87 8.03 13.02 27.18 27.37 0.03 0.81 0.69 28 T C H 71.63 6.90 10.13 18.42 102.45 82.05 -82.99 -11.49 50.09 1.43 48.48 32.04 9.29 9.39 35.42 12.42 0.02 0.67 0.75 29 S H H 71.90 3.48 11.18 16.04 100.76 76.58 -76.42 -22.84 43.85 1.14 55.01 20.30 9.73 14.64 36.30 17.84 0.05 0.55 0.59 30 H H H 131.44 2.60 11.42 15.15 96.36 58.92 -73.92 -22.94 42.85 1.03 56.12 12.28 9.20 21.54 35.52 20.22 0.14 0.51 0.58 31 L H H 97.99 4.47 11.05 17.01 97.14 58.79 -79.96 -13.89 45.65 1.59 52.76 16.59 8.99 20.60 32.88 19.08 0.13 0.78 0.95 32 F C C 95.45 8.57 9.04 18.71 97.12 70.67 -81.32 -4.42 51.43 1.97 46.61 28.55 8.53 14.72 25.69 20.26 0.03 0.81 1.40 33 A C T 81.20 2.45 11.14 15.12 93.82 90.68 -66.20 -24.54 68.79 0.29 30.92 4.65 5.83 57.09 17.82 14.17 0.02 0.14 0.28 34 N C T 137.63 0.60 12.68 11.99 97.22 47.01 -94.68 5.75 76.23 0.22 23.55 5.80 8.03 62.06 10.24 13.56 0.01 0.11 0.20 35 K C S 73.85 10.47 6.21 17.06 120.67 107.02 -85.83 149.45 98.16 0.69 1.15 47.17 50.24 0.59 0.86 0.21 0.00 0.13 0.80 36 S C C 62.22 1.69 13.06 14.77 118.58 -107.23 -70.63 160.03 99.42 0.26 0.33 98.61 0.81 0.08 0.24 0.02 0.00 0.06 0.18 37 T H H 107.47 1.67 10.56 13.39 91.71 -103.85 -59.47 -37.86 2.35 0.01 97.65 0.48 0.38 1.28 97.22 0.64 0.00 0.00 0.00 38 K H H 144.97 0.80 13.06 12.71 91.89 52.26 -64.63 -40.40 1.66 0.01 98.34 0.24 0.17 1.10 97.75 0.73 0.00 0.00 0.00 39 Q H H 81.93 3.86 11.97 17.42 92.32 48.74 -66.09 -40.21 0.85 0.01 99.15 0.20 0.08 0.49 98.53 0.69 0.00 0.00 0.00 40 K H H 87.83 6.18 11.83 19.69 91.86 51.81 -63.71 -41.50 0.70 0.00 99.30 0.17 0.06 0.38 99.01 0.37 0.00 0.00 0.00 41 R H H 135.37 1.53 15.27 16.17 91.91 50.35 -64.59 -40.98 1.47 0.00 98.53 0.18 0.09 1.05 98.06 0.62 0.00 0.00 0.00 42 Q H H 104.67 1.91 15.31 17.02 92.14 49.75 -65.50 -39.83 3.45 0.01 96.55 0.27 0.18 2.73 95.80 1.02 0.00 0.00 0.00 43 L H H 60.60 8.38 11.53 21.46 92.53 51.22 -66.93 -36.40 9.15 0.05 90.80 1.42 0.87 6.55 89.26 1.84 0.02 0.02 0.03 44 R H H 138.55 4.44 13.89 19.74 92.50 57.56 -67.18 -30.11 28.31 0.57 71.12 6.99 3.70 17.77 67.99 2.94 0.06 0.27 0.27 45 K C H 149.47 1.46 15.26 16.24 94.62 56.77 -77.64 -17.62 51.93 1.29 46.78 13.95 7.77 30.00 43.03 3.97 0.06 0.67 0.55 46 A C C 57.09 8.00 11.35 20.50 104.57 73.19 -80.39 63.48 70.79 5.48 23.73 37.74 11.44 21.12 20.13 4.45 0.04 3.77 1.33 47 R C C 137.66 5.21 14.46 21.17 118.97 122.43 -97.50 139.45 66.45 26.22 7.32 50.38 8.85 5.75 5.55 2.47 0.02 22.89 4.11 48 L E C 100.98 6.73 14.62 22.72 116.83 -134.49 -87.70 134.71 46.35 51.65 2.00 38.74 4.21 1.10 1.75 0.66 0.00 37.49 16.04 49 V C C 42.53 14.62 9.65 24.36 120.90 -156.51 -104.57 142.73 65.06 34.33 0.61 60.34 3.74 0.37 0.51 0.22 0.00 26.95 7.88 50 S C C 56.22 2.94 16.93 19.98 121.14 -120.12 -78.51 164.17 92.44 7.28 0.27 91.35 1.41 0.13 0.18 0.05 0.00 6.27 0.60 51 K H H 147.21 2.87 12.78 17.37 91.62 -102.00 -58.40 -37.27 14.77 0.07 85.16 1.32 1.60 10.62 71.35 15.00 0.03 0.04 0.03 52 S H H 74.01 1.22 15.52 15.49 91.55 54.02 -64.87 -38.29 14.49 0.05 85.46 0.91 1.09 11.36 70.26 16.29 0.03 0.03 0.02 53 D H H 48.73 8.79 13.14 23.43 92.92 49.46 -68.94 -36.07 9.19 0.08 90.73 2.00 1.00 5.53 72.51 18.87 0.01 0.05 0.02 54 M H H 58.72 11.24 12.44 24.68 91.87 56.99 -62.36 -41.83 1.10 0.00 98.89 0.32 0.11 0.54 98.20 0.83 0.00 0.00 0.00 55 K H H 126.90 1.55 17.58 18.06 91.89 51.11 -64.70 -40.80 0.46 0.00 99.53 0.08 0.03 0.29 99.16 0.45 0.00 0.00 0.00 56 R H H 126.28 2.55 16.64 19.22 92.11 49.48 -65.12 -41.16 0.39 0.00 99.60 0.05 0.02 0.26 99.23 0.43 0.00 0.00 0.00 57 V H H 41.91 11.29 12.63 25.05 92.52 50.00 -65.45 -41.18 0.45 0.00 99.55 0.05 0.02 0.30 99.17 0.46 0.00 0.00 0.00 58 K H H 113.83 4.72 15.09 21.06 91.89 52.54 -63.96 -37.90 1.88 0.00 98.12 0.12 0.08 1.54 96.72 1.54 0.00 0.00 0.00 59 Q H H 124.65 1.34 15.24 15.87 92.54 52.84 -69.25 -32.85 11.54 0.01 88.45 0.28 0.32 11.25 85.60 2.53 0.01 0.00 0.00 60 L H H 88.92 4.96 11.85 18.24 95.77 52.73 -78.57 -21.61 21.94 0.05 78.02 1.32 1.39 18.91 74.85 3.44 0.02 0.02 0.03 61 L H H 81.99 7.54 8.97 17.82 103.60 83.59 -75.25 3.73 41.09 2.24 56.67 18.31 8.40 15.27 39.01 16.64 0.16 1.08 1.14 62 A C T 82.11 2.02 10.91 13.88 101.78 58.05 -73.79 4.58 57.33 2.12 40.55 22.02 6.91 28.14 25.46 15.28 0.04 1.19 0.96 63 Y C C 159.47 3.19 8.34 13.25 107.61 72.17 -90.67 78.99 69.83 1.35 28.83 42.57 2.96 26.23 16.71 10.05 0.00 0.75 0.73 64 K C C 145.31 3.13 10.99 15.93 109.99 -152.70 -90.00 113.88 99.90 0.06 0.04 99.79 0.09 0.06 0.02 0.00 0.00 0.03 0.01