# 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 90.34 9.76 14.92 25.32 121.15 -165.43 -104.67 139.72 99.86 0.14 0.00 99.86 0.04 0.01 0.00 0.00 0.00 0.08 0.00 1 R E E 99.86 9.60 15.21 25.74 122.87 -157.33 -112.47 139.16 41.52 58.45 0.04 40.49 0.52 0.09 0.01 0.02 0.00 58.27 0.60 2 M E E 78.93 9.81 16.61 27.48 123.13 -157.13 -114.31 136.94 8.00 91.99 0.01 6.87 0.72 0.04 0.00 0.01 0.00 92.24 0.11 3 F E E 30.33 17.37 15.41 33.48 126.71 -171.02 -123.02 143.47 0.80 99.20 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.25 0.01 4 K E E 88.10 8.23 22.67 31.54 119.82 -146.98 -109.50 130.18 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 5 I E E 16.19 21.89 15.81 38.27 123.17 -168.43 -117.55 134.34 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 6 T E E 40.74 9.48 23.83 34.21 121.85 -161.61 -111.79 133.98 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 7 A E E 12.56 20.79 17.49 38.34 127.80 -172.23 -125.06 142.81 0.43 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 8 C E E 35.34 11.97 21.87 34.61 123.25 -160.90 -117.37 135.49 3.23 96.77 0.01 2.82 0.20 0.01 0.00 0.00 0.00 96.86 0.10 9 V E E 32.34 15.56 18.03 34.15 127.11 -173.58 -125.22 140.43 32.25 67.67 0.07 28.56 2.26 0.13 0.02 0.04 0.00 68.63 0.35 10 P C C 50.14 10.50 16.93 28.38 113.89 -106.36 -68.80 147.01 58.05 40.94 1.01 43.77 11.76 2.33 0.30 0.73 0.00 39.90 1.20 11 S C C 44.55 10.44 13.44 24.90 117.04 -142.42 -98.49 141.19 79.97 16.78 3.25 62.28 12.94 4.36 1.59 1.87 0.00 13.14 3.82 12 Q C C 122.71 4.25 13.07 18.63 101.55 -136.59 -81.91 -2.12 76.82 8.44 14.73 35.53 28.70 13.55 8.70 5.61 0.06 5.59 2.25 13 T C C 91.15 3.40 11.24 15.91 107.18 77.48 -91.19 43.60 75.00 7.74 17.26 33.86 26.57 15.76 10.53 6.07 0.10 4.99 2.11 14 R C C 146.99 4.18 10.16 15.91 107.03 56.37 -86.88 69.45 72.62 9.68 17.70 41.95 18.96 12.34 11.75 5.72 0.07 6.74 2.47 15 I C C 107.39 4.40 9.03 15.09 109.07 105.78 -91.67 103.00 73.46 10.04 16.50 47.35 16.32 9.80 12.42 4.31 0.05 6.74 3.01 16 R C C 158.14 2.98 9.51 14.09 106.69 -134.97 -87.78 76.24 77.72 5.70 16.58 48.86 14.82 14.02 12.17 4.62 0.01 3.77 1.71 17 T C C 89.54 3.25 9.17 13.99 111.83 96.37 -97.64 114.16 77.30 3.14 19.56 39.85 18.09 19.91 12.87 6.34 0.01 1.79 1.14 18 Q C C 130.90 2.67 9.70 13.78 103.09 -135.75 -82.47 -5.72 68.05 4.69 27.25 29.98 18.97 20.27 16.48 9.78 0.07 2.95 1.50 19 R C C 156.80 2.87 10.08 14.37 103.36 73.67 -84.40 -1.05 59.86 9.70 30.44 29.71 14.85 16.44 16.24 13.38 0.09 7.21 2.08 20 E C C 117.76 4.29 11.03 16.81 104.56 67.92 -84.37 20.44 54.02 18.94 27.03 32.00 10.88 11.87 13.72 13.01 0.09 15.69 2.74 21 L C C 91.80 7.32 10.41 19.05 109.13 66.51 -88.13 107.53 55.33 26.13 18.54 37.93 9.01 8.49 10.18 8.45 0.06 22.57 3.31 22 Q C C 106.72 5.26 13.12 19.84 110.31 78.71 -93.76 103.51 61.54 29.32 9.14 37.63 15.03 9.53 4.67 4.17 0.04 26.83 2.12 23 N C E 90.04 7.41 12.97 21.61 110.81 55.15 -100.52 104.57 53.25 42.66 4.09 29.78 17.06 8.38 1.18 2.43 0.02 39.88 1.27 24 T E E 63.31 8.11 13.37 22.96 117.86 148.21 -106.47 132.70 26.83 72.23 0.94 20.07 5.99 1.61 0.28 0.55 0.00 70.77 0.72 25 Y E E 114.64 9.91 13.31 24.24 124.65 -164.34 -117.22 140.11 7.13 92.73 0.14 6.27 0.65 0.13 0.05 0.06 0.00 92.59 0.26 26 F E E 90.53 8.36 15.89 25.79 126.08 -170.42 -125.62 141.27 1.55 98.44 0.02 1.40 0.07 0.01 0.00 0.00 0.00 98.44 0.06 27 T E E 70.31 10.70 14.74 26.22 122.63 -157.41 -115.17 136.23 1.39 98.60 0.01 1.12 0.12 0.00 0.00 0.00 0.00 98.74 0.02 28 K E E 83.19 9.14 16.76 27.11 128.02 -174.27 -131.44 143.27 1.02 98.98 0.01 0.86 0.06 0.00 0.00 0.00 0.00 99.06 0.02 29 L E E 92.82 7.73 17.50 26.43 115.54 -132.77 -94.92 127.02 1.10 98.89 0.01 0.99 0.05 0.00 0.00 0.00 0.00 98.91 0.05 30 V E E 21.35 15.99 12.95 29.92 124.46 -172.27 -121.53 137.73 6.04 93.95 0.01 5.61 0.21 0.01 0.00 0.00 0.00 94.04 0.13 31 P E E 56.78 4.31 19.91 24.76 114.13 -111.72 -67.74 146.75 23.82 76.14 0.04 22.98 0.62 0.04 0.01 0.02 0.00 75.91 0.42 32 Y H H 91.46 13.64 11.79 25.70 91.84 -117.12 -59.19 -36.26 25.00 0.66 74.35 3.69 3.62 15.71 43.18 33.06 0.10 0.42 0.22 33 E H H 144.42 1.28 17.36 17.77 92.00 61.11 -68.02 -24.50 19.66 0.14 80.20 1.31 1.71 14.49 47.62 34.69 0.04 0.08 0.06 34 N H H 76.58 5.38 15.14 21.90 97.64 46.87 -92.84 -4.14 17.43 0.19 82.39 2.65 1.96 10.96 45.53 38.71 0.02 0.10 0.08 35 W H H 40.98 18.36 10.91 28.75 93.13 87.99 -63.17 -40.88 14.02 0.14 85.84 5.37 2.03 7.08 75.87 9.50 0.02 0.07 0.06 36 F H H 115.39 4.34 17.05 22.41 92.07 52.89 -63.72 -40.93 1.66 0.01 98.33 0.49 0.19 0.84 97.75 0.71 0.00 0.00 0.00 37 R H H 144.50 1.31 19.75 18.99 92.25 49.70 -64.97 -41.05 0.42 0.00 99.58 0.08 0.03 0.25 99.39 0.24 0.00 0.00 0.00 38 E H H 50.98 10.71 16.34 28.29 92.17 49.22 -65.88 -40.79 0.18 0.00 99.82 0.03 0.01 0.11 99.73 0.12 0.00 0.00 0.00 39 Q H H 42.27 15.22 14.48 29.91 91.39 52.36 -62.88 -41.82 0.16 0.00 99.83 0.02 0.01 0.10 99.82 0.05 0.00 0.00 0.00 40 Q H H 101.19 1.95 19.86 20.64 91.56 50.72 -63.71 -40.68 0.44 0.00 99.56 0.05 0.02 0.28 99.57 0.07 0.00 0.00 0.00 41 R H H 120.72 2.87 18.58 21.33 91.75 50.12 -65.11 -40.90 1.03 0.01 98.96 0.10 0.06 0.75 98.91 0.17 0.00 0.00 0.00 42 I H H 21.21 15.89 11.69 28.35 91.76 49.91 -64.63 -41.93 1.91 0.02 98.07 0.25 0.16 1.35 97.82 0.41 0.01 0.01 0.00 43 Q H H 102.45 6.50 14.44 22.28 91.44 51.73 -63.72 -38.54 4.51 0.02 95.47 0.53 0.28 3.49 94.17 1.51 0.01 0.01 0.01 44 K H H 165.99 0.72 15.62 14.79 91.45 54.35 -67.50 -25.48 18.22 0.05 81.73 0.75 0.77 16.72 79.94 1.75 0.03 0.02 0.03 45 M C T 109.28 4.63 12.82 18.84 94.22 55.07 -87.74 -0.91 71.84 0.13 28.02 1.19 3.13 65.54 28.02 1.97 0.01 0.04 0.10 46 G C T 54.18 1.68 16.92 18.04 100.43 -101.30 90.46 9.12 98.91 0.19 0.90 7.08 4.80 87.24 0.52 0.20 0.00 0.11 0.05 47 G C C 22.34 14.11 9.00 23.09 123.46 135.53 -84.55 160.99 93.29 6.62 0.09 81.93 9.99 0.72 0.02 0.08 0.00 6.98 0.30 48 K E E 131.03 2.58 20.83 23.45 123.24 -137.39 -118.89 140.06 32.32 67.61 0.07 29.54 1.64 0.17 0.01 0.05 0.00 68.10 0.48 49 I E E 63.64 16.80 10.63 26.98 111.11 -124.06 -82.23 123.34 1.85 98.15 0.00 1.90 0.04 0.00 0.00 0.00 0.00 97.95 0.10 50 V E E 89.42 3.75 16.82 21.67 101.17 176.12 -96.94 -33.80 1.94 98.05 0.00 1.41 0.33 0.01 0.00 0.00 0.00 98.24 0.01 51 K E E 114.54 3.06 19.16 22.95 134.34 0.02 -149.60 146.01 0.40 99.60 0.00 0.31 0.03 0.00 0.00 0.00 0.00 99.66 0.00 52 V E E 56.61 17.86 10.17 27.23 123.71 -166.72 -130.50 128.86 0.36 99.64 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 53 E E E 106.90 3.19 19.82 23.65 126.20 -176.11 -130.90 141.04 1.21 98.78 0.00 1.09 0.04 0.00 0.00 0.00 0.00 98.86 0.01 54 L E E 90.53 9.99 12.54 23.52 114.54 -116.35 -76.08 134.29 5.15 94.80 0.05 4.72 0.23 0.04 0.01 0.02 0.00 94.85 0.14 55 F C E 111.50 7.88 11.14 20.34 110.49 -148.80 -94.18 118.85 50.77 48.68 0.54 38.86 9.23 2.11 0.11 0.44 0.00 48.36 0.90 56 T C E 102.72 2.27 12.67 15.98 112.46 39.14 -106.45 115.29 62.93 36.45 0.62 32.01 25.15 7.45 0.10 0.60 0.00 33.11 1.57 57 G C S 52.40 3.59 10.86 16.20 112.67 -72.50 91.45 62.24 84.25 15.43 0.32 33.61 45.30 5.32 0.04 0.35 0.00 14.13 1.23 58 K C C 143.27 2.28 11.59 15.34 118.50 -85.65 -102.49 135.02 89.01 10.80 0.18 62.31 26.55 0.98 0.05 0.17 0.00 7.66 2.29 59 P C C 99.74 4.01 10.18 16.27 111.95 -108.30 -65.04 142.43 89.33 8.24 2.43 53.26 14.38 21.95 0.47 2.13 0.00 5.99 1.83 60 G C C 54.73 2.95 11.57 16.00 106.44 16.71 83.81 6.42 90.19 7.12 2.68 49.25 17.64 23.65 0.48 2.38 0.00 4.66 1.94 61 V C C 101.62 3.83 10.24 15.77 112.56 122.77 -95.36 129.02 81.75 13.07 5.19 53.25 17.40 10.93 1.39 4.03 0.01 8.09 4.89 62 N C C 106.82 4.67 9.73 16.16 109.67 -158.65 -93.02 103.11 81.69 12.09 6.22 48.87 18.17 14.90 1.58 4.79 0.01 7.89 3.79 63 T C C 94.54 3.90 9.53 15.14 105.23 162.73 -95.20 21.48 83.58 9.36 7.06 33.42 22.17 29.32 1.55 5.14 0.02 5.99 2.40 64 G C C 56.43 2.38 10.61 14.36 104.88 -97.58 80.26 9.28 80.35 13.75 5.91 34.79 20.72 26.73 1.28 4.29 0.02 9.29 2.88 65 L C C 115.39 3.60 7.94 13.45 109.38 123.20 -90.91 110.10 81.99 14.62 3.39 72.91 3.03 5.66 1.22 1.85 0.00 10.46 4.87 66 A C C 81.91 3.15 11.84 16.62 112.36 -152.52 -91.33 127.45 99.53 0.46 0.01 99.52 0.10 0.04 0.00 0.00 0.00 0.30 0.03