# 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 111.80 6.61 14.58 22.36 111.54 39.24 -92.69 123.96 99.93 0.07 0.00 99.88 0.06 0.01 0.00 0.00 0.00 0.04 0.00 1 K C C 103.85 8.15 15.43 24.51 119.61 -150.65 -101.44 139.01 72.90 27.06 0.03 71.72 0.64 0.13 0.00 0.02 0.00 27.03 0.45 2 T E E 56.72 10.69 17.43 28.85 124.77 -152.64 -113.37 142.55 13.16 86.83 0.01 11.43 1.05 0.05 0.00 0.01 0.00 87.26 0.20 3 M E E 13.68 21.23 16.00 37.37 125.70 -165.84 -120.80 139.55 0.73 99.27 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.30 0.01 4 K E E 79.56 9.00 26.08 35.46 117.60 -143.85 -102.54 130.44 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 5 V E E 3.32 26.20 16.43 43.58 123.46 -167.45 -118.06 134.94 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 6 T E E 41.19 9.04 26.45 36.27 121.85 -166.00 -116.57 133.37 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 7 Q E E 34.08 20.30 15.66 35.67 110.70 -122.67 -77.28 126.46 4.12 95.88 0.01 3.87 0.17 0.01 0.00 0.00 0.00 95.85 0.10 8 L C C 76.25 7.95 20.45 29.12 101.45 -177.11 -94.24 -28.12 59.99 39.31 0.69 41.20 16.40 1.86 0.15 0.51 0.00 39.19 0.70 9 K C C 108.09 4.95 20.52 26.28 133.77 3.87 -142.13 150.70 76.80 21.36 1.84 37.94 34.20 5.17 0.36 1.43 0.00 19.58 1.31 10 S C C 56.48 12.33 13.49 25.89 120.65 -132.75 -96.95 148.69 88.64 8.97 2.40 74.19 10.19 3.92 0.54 1.99 0.00 7.63 1.55 11 G C C 34.27 11.11 13.08 24.65 104.81 -154.70 -94.58 11.73 89.13 5.52 5.35 71.47 10.29 6.74 1.16 4.60 0.00 3.12 2.61 12 A C T 74.15 4.42 13.39 19.43 111.65 138.21 -80.95 128.34 90.66 2.46 6.87 23.92 25.61 41.27 1.05 5.79 0.00 1.29 1.07 13 H C T 157.23 1.76 15.47 17.42 98.95 11.47 42.38 31.95 91.85 1.43 6.72 26.68 25.45 39.79 1.09 5.60 0.00 0.72 0.66 14 R C C 83.17 14.62 8.64 22.53 119.92 132.33 -91.85 147.17 92.95 2.56 4.49 55.69 34.12 2.94 2.35 1.79 0.00 0.70 2.41 15 L C C 85.13 4.73 14.83 20.75 113.94 -102.46 -69.84 149.76 97.44 0.65 1.90 91.31 5.46 0.55 1.84 0.18 0.00 0.18 0.48 16 K H H 152.98 2.05 14.59 17.70 91.70 -112.39 -57.26 -39.25 1.89 0.00 98.11 0.26 0.24 1.10 97.95 0.44 0.00 0.00 0.00 17 S H H 68.83 3.13 17.25 20.97 91.62 52.61 -64.47 -38.41 1.51 0.00 98.49 0.20 0.11 1.00 98.15 0.54 0.00 0.00 0.00 18 H H H 30.42 17.63 14.78 32.17 92.17 48.85 -66.37 -40.93 0.71 0.01 99.28 0.20 0.06 0.35 98.97 0.41 0.00 0.00 0.00 19 K H H 71.91 13.72 17.59 31.09 91.40 51.77 -62.03 -42.25 0.24 0.00 99.76 0.05 0.02 0.10 99.75 0.07 0.00 0.00 0.00 20 A H H 55.27 2.49 23.72 24.78 91.43 50.22 -63.50 -42.01 0.33 0.00 99.67 0.04 0.01 0.21 99.67 0.07 0.00 0.00 0.00 21 S H H 20.98 12.25 20.41 33.60 91.74 50.33 -64.20 -43.18 0.54 0.00 99.45 0.07 0.03 0.36 99.39 0.14 0.00 0.00 0.00 22 L H H 3.80 25.30 15.75 41.32 91.40 49.87 -63.64 -43.38 0.61 0.01 99.38 0.08 0.05 0.41 98.96 0.49 0.00 0.00 0.00 23 K H H 120.43 6.12 21.39 28.64 91.31 50.32 -62.99 -40.75 1.24 0.00 98.76 0.08 0.05 1.02 97.68 1.17 0.00 0.00 0.00 24 G H H 47.70 3.24 21.62 25.10 90.45 55.07 -65.34 -29.24 8.06 0.01 91.94 0.12 0.16 8.29 90.35 1.07 0.01 0.00 0.00 25 L C T 26.45 18.22 15.60 34.13 92.31 54.97 -84.49 -5.44 75.23 0.03 24.74 0.30 1.20 73.86 23.45 1.16 0.00 0.01 0.03 26 G C T 37.88 4.81 24.15 29.85 96.57 -110.77 83.75 15.86 99.59 0.01 0.40 1.10 1.14 97.49 0.20 0.05 0.00 0.00 0.00 27 L C C 10.55 23.61 10.51 33.78 108.28 146.83 -84.66 112.34 99.01 0.50 0.49 97.98 0.79 0.42 0.20 0.12 0.00 0.14 0.36 28 R C C 151.97 3.60 20.23 24.73 100.54 153.68 -102.36 -12.68 99.37 0.37 0.26 90.00 8.33 1.04 0.09 0.12 0.00 0.14 0.28 29 R C S 132.68 2.61 20.93 23.63 129.59 54.18 -120.97 155.69 89.83 9.66 0.51 23.34 63.55 1.27 0.21 0.21 0.00 1.28 10.14 30 I C T 90.99 9.92 14.51 25.40 111.39 -88.09 -63.03 138.18 98.51 1.05 0.44 0.61 6.38 91.68 0.02 0.41 0.00 0.54 0.36 31 N C T 105.12 5.04 17.87 24.28 92.73 15.04 69.55 17.57 99.54 0.34 0.12 1.15 5.43 92.95 0.00 0.16 0.00 0.27 0.03 32 H C C 77.50 8.22 17.90 27.45 121.95 126.66 -102.68 142.65 78.77 21.14 0.08 68.46 9.83 0.31 0.01 0.10 0.00 19.68 1.62 33 S E E 44.71 15.94 15.70 31.05 128.84 -159.99 -116.97 150.39 13.07 86.92 0.01 13.12 0.18 0.01 0.00 0.01 0.00 86.07 0.63 34 V E E 34.50 14.37 18.96 34.09 127.77 -166.67 -129.35 140.47 1.97 98.03 0.00 1.81 0.05 0.00 0.00 0.00 0.00 98.12 0.02 35 V E E 72.04 10.70 21.07 32.06 117.10 -144.21 -102.88 126.64 0.42 99.58 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 36 V E E 22.33 18.24 14.58 33.02 125.88 -174.73 -122.01 142.50 2.67 97.33 0.00 2.66 0.04 0.00 0.00 0.00 0.00 97.19 0.11 37 E E E 110.04 4.03 22.21 26.24 115.28 -110.78 -75.12 142.71 45.36 54.57 0.07 37.71 5.13 0.51 0.01 0.07 0.00 56.21 0.36 38 D C C 62.83 15.48 12.57 27.68 106.69 -110.30 -71.75 117.25 96.77 3.06 0.17 63.41 31.44 2.13 0.03 0.17 0.00 2.51 0.31 39 T C C 51.21 5.38 16.35 23.35 132.12 154.98 -133.25 163.83 99.07 0.28 0.65 74.95 23.59 0.55 0.52 0.11 0.00 0.08 0.21 40 P H H 111.01 1.61 14.96 16.85 90.80 -102.45 -59.75 -34.73 19.95 0.03 80.02 1.03 2.07 16.55 74.72 5.56 0.04 0.01 0.03 41 S H H 72.57 2.53 16.78 19.59 91.87 54.16 -65.73 -35.85 19.57 0.04 80.39 1.01 1.46 16.99 73.75 6.69 0.04 0.02 0.03 42 T H H 12.85 19.93 11.92 31.44 93.60 46.41 -72.91 -36.70 8.11 0.06 91.83 1.45 0.95 5.50 85.31 6.72 0.02 0.03 0.02 43 R H H 105.72 10.89 17.18 28.39 91.79 57.65 -61.37 -42.16 1.14 0.00 98.85 0.26 0.12 0.60 98.54 0.47 0.00 0.00 0.00 44 G H H 37.43 2.09 21.95 22.53 91.43 50.63 -62.98 -41.22 0.75 0.00 99.24 0.11 0.05 0.46 99.05 0.32 0.00 0.00 0.00 45 M H H 41.35 13.18 19.02 32.68 92.03 50.25 -65.40 -41.19 0.36 0.00 99.64 0.05 0.02 0.21 99.40 0.31 0.00 0.00 0.00 46 V H H 8.35 23.72 14.79 38.30 91.51 51.80 -63.29 -42.01 0.31 0.00 99.69 0.03 0.02 0.21 99.37 0.37 0.00 0.00 0.00 47 N H H 97.55 4.04 21.33 25.94 91.11 52.74 -64.31 -35.55 2.12 0.00 97.88 0.08 0.06 1.97 97.04 0.85 0.00 0.00 0.00 48 R H H 129.53 4.50 20.67 25.49 91.97 51.18 -68.70 -31.85 7.77 0.00 92.23 0.10 0.20 8.11 90.75 0.83 0.01 0.00 0.00 49 V H H 8.43 22.78 13.63 36.61 98.58 43.02 -95.45 -7.79 22.44 0.14 77.42 1.31 2.39 18.94 75.38 1.74 0.10 0.04 0.10 50 N H G 73.39 13.95 16.26 30.04 92.16 104.48 -59.33 -32.74 31.33 0.28 68.39 2.11 1.74 26.19 4.22 65.48 0.00 0.19 0.06 51 Y H G 157.47 2.87 21.59 24.54 90.91 60.18 -72.50 -17.18 38.81 0.13 61.07 0.47 1.67 36.26 1.64 59.84 0.00 0.08 0.04 52 L H G 39.44 15.94 17.01 33.05 98.35 49.28 -98.82 -8.93 36.89 0.86 62.25 1.29 2.86 31.30 1.15 62.57 0.00 0.75 0.07 53 V E E 8.44 24.87 12.33 37.09 125.43 67.38 -116.72 140.77 8.85 91.06 0.09 7.01 1.91 0.13 0.03 0.05 0.00 90.42 0.46 54 K E E 103.18 5.52 25.06 31.03 121.73 -162.25 -112.43 135.57 1.03 98.96 0.01 0.91 0.04 0.00 0.00 0.00 0.00 99.01 0.02 55 V E E 40.56 20.34 13.03 32.43 121.40 -155.95 -111.96 131.43 1.19 98.81 0.01 1.08 0.04 0.01 0.00 0.00 0.00 98.83 0.04 56 E E E 92.90 5.68 17.61 24.64 126.63 -173.55 -125.43 147.03 5.64 94.33 0.02 5.00 0.38 0.05 0.01 0.01 0.00 94.43 0.12 57 E E E 132.40 4.42 13.54 20.04 113.89 -114.53 -79.35 135.09 20.81 79.14 0.05 20.12 0.47 0.07 0.01 0.03 0.00 78.84 0.47 58 A C C 61.11 8.73 12.01 21.58 113.33 -124.71 -82.52 140.29 99.78 0.21 0.00 99.79 0.04 0.01 0.00 0.00 0.00 0.14 0.00