# 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 121.76 4.14 13.11 18.60 115.25 -134.09 -88.12 136.15 99.95 0.04 0.00 99.90 0.06 0.01 0.00 0.00 0.00 0.02 0.00 1 A C C 64.43 8.01 9.28 18.58 115.16 -116.70 -75.40 141.88 93.56 6.25 0.19 93.11 0.38 0.62 0.04 0.08 0.00 5.10 0.68 2 R C C 146.95 3.35 13.94 18.87 120.26 -149.27 -106.92 141.14 72.01 27.64 0.34 65.92 4.64 0.85 0.09 0.27 0.00 25.81 2.42 3 W C C 143.77 8.41 12.82 22.66 119.03 -130.80 -98.30 134.79 54.54 45.37 0.09 51.76 2.08 0.18 0.02 0.07 0.00 44.72 1.17 4 N E E 53.27 10.35 15.34 27.02 130.64 175.62 -129.77 154.73 23.65 76.29 0.06 21.37 1.91 0.14 0.01 0.04 0.00 75.67 0.84 5 V E E 81.71 6.39 20.35 27.51 118.59 -119.28 -96.15 135.31 5.85 94.12 0.03 5.56 0.27 0.01 0.04 0.01 0.00 61.81 32.30 6 C C C 7.21 21.73 11.40 33.78 110.38 -114.33 -69.76 129.37 89.91 10.06 0.02 91.28 0.34 0.05 0.00 0.01 0.00 7.45 0.85 7 S C T 51.23 7.95 20.51 29.80 93.08 -147.18 -71.20 -21.14 99.78 0.10 0.12 0.33 6.23 93.26 0.00 0.10 0.00 0.06 0.02 8 Y C T 79.37 12.97 17.09 30.13 100.89 44.32 -86.12 -41.18 99.87 0.04 0.09 0.05 2.82 97.05 0.00 0.05 0.00 0.02 0.01 9 C C T 57.69 7.12 15.94 24.46 102.60 17.87 -108.56 -14.52 99.87 0.06 0.07 0.20 3.87 95.82 0.00 0.06 0.00 0.03 0.01 10 G C C 44.02 6.02 14.51 22.09 95.27 -122.65 79.82 6.11 99.40 0.55 0.05 84.71 13.12 1.54 0.01 0.05 0.00 0.27 0.29 11 R C C 121.19 4.04 16.57 22.19 119.09 137.83 -79.48 146.74 98.07 1.92 0.01 92.09 6.10 0.11 0.00 0.01 0.00 1.44 0.25 12 E E E 128.43 4.46 17.85 23.94 113.47 -108.39 -74.10 136.13 4.09 95.90 0.02 3.71 0.33 0.02 0.02 0.01 0.00 67.85 28.07 13 F E E 28.34 19.43 10.26 29.18 126.75 -171.48 -124.70 143.75 19.13 80.85 0.02 18.85 0.45 0.02 0.01 0.01 0.00 72.00 8.66 14 E C C 114.10 2.75 21.32 23.35 117.01 -112.94 -73.79 148.51 96.32 3.64 0.04 95.64 0.98 0.12 0.01 0.03 0.00 2.82 0.40 15 P C T 80.80 9.10 14.11 24.37 110.85 -84.69 -59.38 137.81 96.75 1.03 2.22 1.50 5.98 89.13 0.07 2.37 0.00 0.70 0.25 16 G C T 45.21 5.41 17.51 23.94 95.03 22.93 86.57 -5.39 96.41 1.11 2.48 1.90 5.82 88.50 0.09 2.64 0.00 0.89 0.16 17 T C C 66.74 7.47 18.16 26.43 107.68 100.86 -101.44 -3.18 88.85 8.27 2.89 54.27 25.86 8.09 0.34 3.54 0.00 5.29 2.60 18 G C C 20.21 13.98 15.46 29.29 136.56 53.72 81.02 -170.93 78.37 21.46 0.17 45.31 32.70 1.35 0.02 0.17 0.00 19.32 1.12 19 K E E 97.55 7.52 20.92 28.87 123.71 -70.27 -111.83 141.10 20.46 79.50 0.04 17.81 1.90 0.13 0.01 0.03 0.00 79.71 0.41 20 M E E 56.28 15.64 15.63 31.30 120.82 -148.94 -106.99 135.31 2.08 97.92 0.00 1.95 0.05 0.00 0.00 0.00 0.00 97.95 0.05 21 F E E 60.05 10.42 17.55 29.42 127.30 -165.73 -120.04 146.05 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 22 V E E 59.44 9.70 13.94 25.32 117.78 -145.12 -110.17 126.83 0.85 99.15 0.00 0.81 0.02 0.00 0.00 0.00 0.00 98.92 0.24 23 R C C 83.88 7.32 11.36 20.60 122.22 -145.01 -84.71 165.99 87.46 12.50 0.04 88.32 0.27 0.05 0.01 0.02 0.00 10.75 0.59 24 N C T 134.08 1.73 10.58 13.53 91.06 -100.59 -62.20 -25.21 99.06 0.30 0.64 0.25 2.01 96.91 0.01 0.58 0.00 0.20 0.03 25 D C T 114.84 1.02 11.57 12.34 92.72 56.88 -86.29 -0.47 99.39 0.04 0.57 0.11 1.55 97.82 0.01 0.48 0.00 0.02 0.01 26 G C S 46.02 4.02 11.25 17.05 96.48 -104.10 86.53 6.33 99.24 0.31 0.45 12.22 85.63 1.54 0.05 0.29 0.00 0.13 0.14 27 R C C 113.83 4.47 13.90 20.26 117.47 137.41 -79.05 143.26 94.97 5.01 0.02 95.03 0.78 0.04 0.00 0.01 0.00 3.39 0.75 28 V E E 62.85 10.51 14.92 26.85 118.93 -141.29 -106.53 129.37 0.58 99.42 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.21 0.19 29 L E E 34.21 14.46 17.32 32.82 123.35 -168.94 -115.48 137.67 0.13 99.87 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 30 F E E 68.13 11.22 22.28 34.13 118.46 -149.17 -105.15 129.70 0.81 99.19 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.21 0.03 31 F E E 18.81 19.85 15.60 35.79 119.36 -156.13 -101.16 140.89 16.39 83.60 0.01 16.12 0.35 0.03 0.00 0.01 0.00 82.84 0.65 32 C C S 43.15 10.92 20.04 32.03 97.73 -160.82 -89.35 -23.48 95.28 4.68 0.04 41.16 54.11 0.41 0.01 0.02 0.00 4.11 0.19 33 S C S 31.66 7.25 19.91 28.40 136.64 14.34 -143.86 163.61 98.26 0.77 0.98 22.08 75.67 0.60 0.94 0.08 0.00 0.19 0.45 34 S H H 72.70 4.37 17.43 22.93 91.27 -106.06 -61.55 -34.64 3.69 0.00 96.31 0.30 0.74 2.41 96.10 0.45 0.01 0.00 0.00 35 K H H 117.32 3.48 20.15 23.88 91.70 54.98 -64.73 -39.57 2.24 0.01 97.76 0.16 0.19 1.78 97.28 0.58 0.01 0.00 0.00 36 C H H 10.03 18.76 13.53 32.68 91.99 49.29 -65.30 -41.35 0.65 0.00 99.35 0.09 0.05 0.42 98.98 0.45 0.00 0.00 0.00 37 E H H 71.24 9.77 17.10 27.75 91.63 52.49 -62.66 -42.07 0.16 0.00 99.84 0.02 0.01 0.09 99.80 0.08 0.00 0.00 0.00 38 K H H 117.11 1.86 21.06 21.39 91.82 50.36 -64.20 -40.94 0.23 0.00 99.77 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 39 Y H H 60.14 9.52 15.30 26.52 92.35 49.77 -65.56 -40.71 0.50 0.00 99.50 0.04 0.02 0.35 99.41 0.18 0.00 0.00 0.00 40 Y H H 67.14 14.52 12.62 27.07 92.40 51.26 -64.63 -41.09 1.01 0.00 98.99 0.06 0.04 0.80 98.46 0.63 0.00 0.00 0.00 41 F H H 147.75 2.61 16.05 19.52 91.93 51.13 -65.90 -30.27 5.79 0.01 94.20 0.13 0.18 5.58 93.42 0.68 0.01 0.00 0.00 42 M C T 121.18 2.36 14.54 17.32 93.71 52.15 -85.42 -4.18 71.18 0.02 28.80 0.30 1.01 69.73 28.17 0.76 0.00 0.00 0.02 43 G C T 51.93 3.30 15.42 19.70 97.07 -108.21 81.38 13.49 99.46 0.00 0.53 1.95 0.89 96.80 0.31 0.05 0.00 0.00 0.00 44 R C C 79.93 11.63 11.13 23.84 116.29 158.74 -80.22 138.86 99.43 0.40 0.17 96.99 2.12 0.19 0.09 0.04 0.00 0.08 0.50 45 N C C 74.59 5.46 20.19 26.33 108.54 -132.16 -92.19 112.64 99.80 0.08 0.12 99.30 0.48 0.09 0.03 0.03 0.00 0.02 0.05 46 P H G 24.79 19.97 11.09 30.97 91.93 -154.70 -61.84 -26.43 17.32 0.15 82.53 2.96 1.67 9.77 0.92 84.56 0.00 0.10 0.02 47 R H G 138.71 6.02 16.39 23.88 90.23 66.94 -69.14 -17.06 17.42 0.13 82.46 1.12 1.35 12.45 0.85 84.15 0.00 0.07 0.01 48 K H G 144.47 2.01 17.84 19.73 94.21 56.85 -89.80 -7.58 17.28 0.27 82.44 2.59 2.63 9.91 1.00 83.67 0.00 0.16 0.04 49 L C S 32.68 16.84 8.49 24.98 115.86 99.24 -85.59 137.11 93.81 2.13 4.05 39.42 51.81 2.39 1.88 1.71 0.00 0.56 2.24 50 K C T 145.84 2.46 19.57 22.22 96.77 -135.04 -68.59 -24.93 86.37 1.99 11.64 18.52 32.27 36.37 5.29 5.42 0.01 0.93 1.20 51 W C T 79.63 14.29 14.14 28.44 97.96 54.09 -89.54 12.15 85.39 3.06 11.55 28.25 25.46 32.49 5.70 5.01 0.03 1.29 1.77 52 T C C 27.55 13.69 12.80 27.54 117.36 116.55 -83.06 144.81 80.97 4.41 14.62 66.71 11.14 2.34 13.22 1.99 0.00 1.36 3.24 53 K H H 131.87 3.28 17.97 21.91 93.62 -129.44 -63.54 -37.38 6.38 0.05 93.58 1.95 1.62 2.84 92.56 0.98 0.01 0.02 0.02 54 A H H 55.15 3.77 17.86 22.21 91.98 51.67 -64.72 -41.64 3.55 0.02 96.43 0.70 0.46 2.19 95.67 0.97 0.00 0.01 0.01 55 F H H 51.52 10.35 14.73 26.60 92.67 48.07 -66.28 -41.14 1.93 0.01 98.06 0.60 0.22 0.99 97.24 0.93 0.00 0.01 0.00 56 Q H H 69.73 7.31 15.77 24.46 91.96 51.44 -63.87 -41.70 0.85 0.00 99.15 0.32 0.09 0.36 98.94 0.29 0.00 0.00 0.00 57 E H H 105.42 2.20 18.20 19.80 92.11 49.54 -64.60 -41.28 0.73 0.00 99.27 0.19 0.06 0.37 99.18 0.19 0.00 0.00 0.00 58 A H H 44.70 4.07 16.08 21.50 91.80 50.24 -64.54 -40.88 1.01 0.00 98.99 0.23 0.08 0.54 98.95 0.20 0.00 0.00 0.00 59 R H H 103.54 5.89 15.19 22.44 92.21 50.02 -65.26 -40.33 1.46 0.01 98.53 0.37 0.13 0.75 98.50 0.25 0.00 0.00 0.00 60 L H H 81.24 3.09 14.80 18.86 91.90 50.34 -64.69 -40.63 2.49 0.02 97.49 0.68 0.24 1.31 97.35 0.41 0.00 0.01 0.00 61 Q H H 101.01 1.78 14.79 16.39 92.02 50.38 -65.33 -40.13 4.56 0.04 95.41 1.36 0.50 2.40 95.07 0.65 0.00 0.02 0.01 62 R H H 126.73 2.67 12.94 16.55 92.62 50.67 -66.78 -37.75 8.05 0.07 91.87 2.45 1.06 4.21 91.13 1.10 0.01 0.03 0.02 63 A H H 60.45 3.51 10.44 15.64 92.71 53.29 -67.77 -35.52 17.27 0.13 82.60 4.35 2.15 10.22 81.19 1.95 0.02 0.06 0.06 64 K H H 151.69 1.19 10.77 12.34 93.80 54.33 -72.66 -25.02 37.63 0.36 62.01 9.50 4.88 23.47 59.33 2.45 0.03 0.14 0.20 65 R C C 168.11 1.57 9.25 11.85 99.64 64.89 -77.47 -8.01 64.45 0.40 35.16 36.98 1.72 23.69 35.45 1.76 0.00 0.17 0.23 66 K C C 148.30 2.37 10.74 14.52 104.31 66.95 -80.50 49.06 99.91 0.02 0.07 99.76 0.07 0.11 0.05 0.00 0.00 0.01 0.00