# 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 113.45 6.67 11.98 20.00 116.34 -154.89 -92.61 133.54 99.86 0.13 0.00 99.85 0.05 0.01 0.00 0.00 0.00 0.07 0.01 1 R C C 145.84 3.75 13.23 18.67 118.80 -152.94 -103.96 136.58 78.51 21.33 0.16 79.19 0.44 0.19 0.04 0.06 0.00 18.63 1.45 2 I C C 91.77 8.78 11.81 21.94 117.98 -142.25 -100.01 132.04 63.34 36.57 0.09 59.55 2.72 0.23 0.02 0.07 0.00 36.41 1.00 3 Y E E 83.00 10.18 15.14 26.66 126.66 -174.06 -119.52 146.93 23.36 76.57 0.07 21.64 1.51 0.13 0.02 0.05 0.00 75.33 1.31 4 Q E E 99.98 6.50 19.52 26.99 117.92 -123.63 -93.98 137.40 6.72 93.24 0.04 6.36 0.29 0.01 0.05 0.01 0.00 64.79 28.48 5 C C C 7.85 21.61 11.37 33.54 110.61 -114.01 -70.27 130.67 86.93 13.04 0.03 88.11 0.51 0.07 0.01 0.01 0.00 10.14 1.16 6 H C T 89.81 8.07 20.45 29.70 93.31 -146.10 -70.26 -24.69 99.74 0.16 0.10 0.30 6.67 92.81 0.00 0.09 0.00 0.09 0.03 7 F C T 72.01 13.11 17.36 30.42 100.86 41.42 -87.48 -41.41 99.87 0.06 0.07 0.05 3.08 96.78 0.00 0.05 0.00 0.02 0.01 8 C C T 53.99 8.43 16.29 25.79 104.64 16.46 -109.77 -12.43 99.85 0.09 0.06 0.37 5.19 94.32 0.00 0.06 0.00 0.04 0.02 9 S C C 70.18 6.40 15.80 23.58 95.55 -126.59 73.52 8.22 99.21 0.73 0.06 81.89 13.04 4.27 0.01 0.06 0.00 0.37 0.35 10 S C C 50.02 5.82 16.87 24.12 121.71 133.05 -82.93 151.85 96.18 3.81 0.01 81.71 14.69 0.14 0.00 0.01 0.00 3.07 0.39 11 P E E 82.61 5.75 19.90 26.39 114.47 -100.88 -66.67 145.47 5.87 94.11 0.02 5.23 0.45 0.02 0.03 0.00 0.00 55.20 39.06 12 C E E 14.64 21.85 10.95 32.12 123.61 -153.69 -112.82 142.03 29.08 70.88 0.04 27.66 1.03 0.05 0.02 0.02 0.00 60.77 10.46 13 Y C C 111.86 5.63 20.80 26.84 118.30 -121.82 -89.45 141.44 92.13 7.78 0.08 89.33 2.89 0.22 0.02 0.06 0.00 6.18 1.30 14 P C T 83.18 8.26 15.04 24.48 110.01 -86.24 -59.62 136.42 90.65 1.25 8.10 1.95 6.61 81.11 0.19 8.95 0.00 0.81 0.38 15 G C T 54.31 3.16 17.35 21.02 95.64 20.54 85.28 -4.08 90.77 0.94 8.30 1.96 6.05 82.05 0.25 8.82 0.00 0.66 0.21 16 H C C 97.49 7.93 17.36 26.04 104.62 90.71 -103.97 -9.90 79.67 7.63 12.70 39.21 22.09 17.46 0.93 13.45 0.01 4.68 2.17 17 G C S 18.06 14.45 16.32 30.55 126.26 -45.30 116.78 -167.66 82.38 17.35 0.27 37.35 42.87 2.39 0.04 0.27 0.00 16.07 1.01 18 I E E 49.63 12.49 18.88 32.13 122.62 -42.56 -110.62 136.07 15.35 84.60 0.05 12.40 2.26 0.19 0.01 0.04 0.00 84.82 0.28 19 M E E 53.39 13.65 18.21 32.54 121.47 -154.89 -112.05 133.81 0.79 99.21 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.24 0.02 20 F E E 50.58 12.46 17.26 30.95 127.39 -169.39 -121.02 145.52 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 21 V E E 54.46 9.33 14.88 26.13 117.94 -145.37 -108.55 127.35 0.79 99.21 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.09 0.13 22 R C C 79.90 7.74 11.85 21.49 122.76 -148.14 -86.72 167.11 83.04 16.87 0.09 82.73 0.45 0.12 0.01 0.05 0.00 16.02 0.61 23 N C T 126.52 2.56 10.91 14.97 91.89 -96.35 -63.02 -25.21 97.73 0.46 1.81 0.47 3.24 94.07 0.03 1.81 0.00 0.32 0.07 24 D C T 112.71 1.19 11.75 12.87 93.62 53.51 -89.42 3.80 98.30 0.06 1.64 0.24 2.48 95.66 0.03 1.54 0.00 0.03 0.02 25 A C S 73.42 4.41 11.18 17.40 94.53 -104.63 76.88 10.10 97.43 0.57 2.00 15.95 73.49 8.04 0.19 1.77 0.00 0.31 0.26 26 K C C 102.75 4.10 13.95 19.84 117.49 140.32 -80.56 143.64 93.00 6.95 0.05 92.13 1.21 0.14 0.01 0.03 0.00 5.71 0.78 27 E E E 90.08 9.97 14.64 25.82 120.56 -140.83 -109.98 133.64 1.06 98.94 0.00 1.05 0.04 0.00 0.00 0.00 0.00 98.73 0.17 28 F E E 44.90 14.39 16.45 31.83 126.09 -172.30 -121.56 142.32 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 29 R E E 88.26 11.12 21.92 33.44 120.78 -149.39 -107.52 133.33 0.52 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 30 F E E 21.45 18.91 16.44 35.73 122.33 -158.31 -107.79 141.25 10.17 89.82 0.01 9.95 0.26 0.02 0.00 0.01 0.00 89.26 0.50 31 C C C 34.68 13.11 18.77 32.64 101.79 -153.41 -87.80 -5.81 84.05 15.87 0.08 63.01 20.64 0.36 0.02 0.06 0.00 15.38 0.52 32 R C S 93.13 6.89 19.97 27.28 130.12 26.21 -115.39 160.57 89.27 1.26 9.47 15.37 71.40 2.08 9.85 0.33 0.01 0.33 0.63 33 S H H 70.30 4.49 17.13 22.71 92.08 -98.87 -60.84 -37.02 5.45 0.03 94.52 0.49 1.05 3.76 93.71 0.94 0.03 0.01 0.01 34 K H H 121.53 3.14 19.90 23.15 92.00 54.01 -64.90 -39.40 3.37 0.02 96.61 0.34 0.39 2.46 95.61 1.14 0.03 0.01 0.01 35 C H H 10.69 18.49 13.66 32.49 92.20 49.85 -66.00 -41.13 1.52 0.01 98.47 0.29 0.18 0.94 97.57 1.01 0.01 0.00 0.00 36 H H H 66.34 10.44 17.29 28.63 91.49 51.79 -63.13 -41.86 0.56 0.00 99.43 0.16 0.05 0.29 99.23 0.27 0.00 0.00 0.00 37 K H H 112.23 1.95 21.88 22.12 91.75 50.01 -64.17 -40.78 0.66 0.00 99.34 0.08 0.04 0.44 99.15 0.28 0.00 0.00 0.00 38 A H H 21.89 9.30 15.52 27.14 91.72 50.78 -64.95 -40.38 1.66 0.01 98.34 0.16 0.10 1.23 97.95 0.56 0.00 0.00 0.00 39 F H H 48.49 15.54 12.85 28.35 92.50 51.66 -65.80 -39.30 5.57 0.02 94.41 0.47 0.36 4.52 93.47 1.17 0.01 0.01 0.01 40 K H H 141.45 2.47 16.30 19.42 91.70 51.40 -67.29 -32.27 15.19 0.05 84.75 1.01 1.03 12.83 83.94 1.11 0.02 0.02 0.03 41 Q C T 116.45 2.28 14.49 17.05 96.19 52.81 -84.62 -6.58 64.84 0.28 34.88 4.28 7.96 50.40 35.24 1.79 0.03 0.09 0.22 42 R C T 156.35 5.31 12.94 20.07 98.28 -124.89 52.30 40.73 85.02 0.53 14.45 21.70 8.21 54.55 12.77 2.23 0.00 0.22 0.31 43 R C C 120.02 7.01 12.52 21.11 111.48 166.46 -89.62 133.77 91.92 1.61 6.47 65.89 18.26 7.38 4.66 1.80 0.00 0.53 1.48 44 N C C 75.10 5.60 15.47 22.41 109.13 -73.25 -102.30 106.78 98.22 0.35 1.43 89.63 7.58 1.08 0.98 0.35 0.00 0.12 0.27 45 P H G 50.83 14.11 10.81 25.50 92.85 -158.07 -63.05 -25.16 37.92 0.44 61.63 10.81 4.42 21.02 17.15 46.14 0.00 0.23 0.23 46 R H G 149.55 3.80 15.32 20.61 91.86 66.30 -68.82 -21.04 34.72 0.78 64.50 5.59 4.26 22.94 19.63 46.73 0.06 0.44 0.36 47 K H G 129.72 3.29 16.73 20.61 95.17 55.59 -83.82 -11.59 30.61 2.06 67.33 10.47 6.09 14.14 21.51 45.84 0.05 1.27 0.63 48 L C C 34.92 17.24 10.02 26.60 104.46 86.55 -85.38 82.99 55.40 2.85 41.75 31.92 14.75 9.35 28.29 12.99 0.04 1.39 1.27 49 K C H 132.05 4.11 18.65 23.69 97.18 105.15 -72.77 -25.88 56.88 3.27 39.85 23.87 13.05 20.56 29.95 9.37 0.07 1.94 1.18 50 W C H 107.75 10.00 16.16 26.67 98.55 59.13 -82.89 -3.64 58.51 4.07 37.42 26.58 13.11 19.55 28.78 8.08 0.08 2.40 1.41 51 T C H 31.00 13.65 14.12 28.39 104.63 81.48 -80.66 15.74 50.49 3.51 45.99 38.26 7.52 5.38 42.32 3.49 0.01 1.79 1.24 52 K H H 115.80 5.75 17.10 23.89 93.88 42.98 -62.89 -39.81 6.27 0.22 93.51 2.92 1.23 2.32 92.08 1.25 0.01 0.15 0.04 53 A H H 53.06 3.20 17.85 21.36 91.83 52.24 -64.00 -41.37 3.33 0.25 96.41 1.29 0.46 1.67 94.93 1.37 0.01 0.24 0.03 54 F H H 62.12 9.16 15.08 25.72 92.35 49.40 -65.68 -41.28 2.48 0.33 97.19 1.10 0.33 1.19 95.51 1.49 0.01 0.34 0.03 55 R H H 71.62 10.79 12.91 24.76 92.16 50.89 -64.38 -41.41 2.76 0.34 96.91 1.23 0.35 1.28 95.66 1.12 0.01 0.31 0.03 56 K H H 135.71 1.88 15.57 17.67 91.94 50.12 -64.20 -40.23 4.76 0.28 94.96 1.52 0.54 2.65 93.76 1.25 0.02 0.22 0.05 57 A H H 75.06 2.52 13.67 17.00 91.98 52.25 -67.61 -30.95 12.49 0.15 87.36 1.85 1.18 9.02 86.49 1.28 0.03 0.09 0.06 58 A C T 55.51 7.03 11.00 19.54 94.66 51.20 -84.94 -8.18 63.53 0.16 36.30 2.27 3.27 54.96 37.98 1.36 0.01 0.06 0.10 59 G C T 59.93 1.41 13.92 15.47 96.23 -108.25 79.79 11.27 92.01 0.24 7.75 10.57 5.72 75.37 7.03 1.09 0.00 0.11 0.10 60 K C C 109.76 6.18 9.60 17.53 117.98 132.50 -96.63 143.61 87.72 2.66 9.62 73.47 8.83 5.64 5.61 3.80 0.00 1.78 0.86 61 E C C 141.53 2.27 12.26 15.94 114.32 -132.13 -89.73 135.19 79.34 9.17 11.49 63.97 8.01 7.53 5.85 5.35 0.01 7.41 1.87 62 L C C 99.09 7.58 8.46 17.25 114.06 -148.35 -97.15 130.66 75.40 14.83 9.77 60.44 8.85 6.10 5.30 4.17 0.01 12.89 2.23 63 A C C 79.55 3.16 10.28 15.19 115.36 -157.61 -97.40 133.58 77.15 16.73 6.12 69.95 2.36 4.76 3.51 2.01 0.00 14.28 3.12 64 V C C 98.48 5.66 10.89 18.27 115.04 -148.47 -97.38 123.42 99.59 0.40 0.01 99.62 0.07 0.03 0.01 0.00 0.00 0.25 0.02