# 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 94.64 9.05 14.58 24.36 118.46 94.75 -99.60 138.24 99.90 0.09 0.00 99.87 0.06 0.01 0.00 0.00 0.00 0.05 0.00 1 R C C 113.27 8.49 14.92 24.35 119.90 -154.27 -100.44 138.06 56.42 43.52 0.06 54.58 0.74 0.19 0.01 0.04 0.00 43.85 0.59 2 S E E 42.80 10.80 15.99 27.80 127.40 -164.30 -121.28 146.94 10.46 89.52 0.02 8.84 1.19 0.08 0.00 0.02 0.00 89.69 0.17 3 F E E 33.07 16.89 15.98 33.52 128.36 -168.58 -125.50 145.44 0.78 99.22 0.00 0.70 0.03 0.00 0.00 0.00 0.00 99.25 0.02 4 K E E 81.55 8.94 22.86 32.37 118.47 -141.91 -107.22 129.53 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 5 V E E 14.29 22.04 16.53 39.14 120.57 -164.57 -113.84 129.98 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 6 T E E 33.63 10.43 24.04 35.48 122.09 -166.00 -114.59 134.06 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 7 A E E 14.05 20.01 18.61 38.61 123.75 -164.48 -116.62 136.44 0.27 99.73 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 8 C E E 28.11 12.88 20.94 34.75 127.86 -172.40 -126.12 143.42 2.99 97.01 0.00 2.62 0.15 0.01 0.00 0.00 0.00 97.11 0.11 9 V E E 38.57 13.41 17.78 32.04 122.32 -151.84 -114.48 134.29 37.59 62.37 0.04 33.91 2.13 0.10 0.01 0.03 0.00 63.46 0.35 10 P C C 55.01 9.97 15.77 26.81 112.63 -108.85 -68.93 147.99 62.85 35.76 1.39 48.12 11.28 2.88 0.33 1.12 0.00 34.94 1.34 11 S C C 53.59 8.65 12.44 22.27 116.38 -135.69 -98.38 141.32 83.49 12.72 3.78 63.04 14.59 5.77 1.38 2.52 0.00 9.76 2.95 12 Q C C 131.04 2.99 12.25 16.62 103.05 -144.36 -86.81 8.20 81.50 8.06 10.45 47.07 24.76 10.27 5.08 5.27 0.02 5.11 2.41 13 T C C 89.20 3.34 10.22 15.16 114.78 80.61 -99.13 131.01 79.49 6.89 13.62 44.70 22.88 12.63 7.11 6.26 0.03 4.32 2.08 14 R C C 155.97 3.51 9.35 14.69 110.36 -137.87 -89.87 124.04 78.46 7.21 14.33 50.62 16.46 11.54 8.35 5.99 0.02 4.81 2.20 15 I C C 112.40 3.77 8.36 13.92 112.57 -159.11 -95.73 123.59 79.30 6.50 14.21 51.31 16.21 11.81 8.88 5.41 0.01 4.15 2.20 16 R C C 164.14 2.60 8.98 13.24 109.52 -148.68 -92.16 110.65 82.83 4.25 12.92 51.25 16.10 15.58 7.57 5.35 0.01 2.71 1.43 17 T C C 98.56 2.55 8.76 12.87 110.89 139.83 -96.61 109.78 84.13 3.61 12.25 43.42 22.15 19.04 6.38 5.63 0.01 2.11 1.26 18 Q C C 130.03 2.62 8.96 13.26 109.32 73.86 -91.95 111.54 81.65 7.31 11.04 46.57 21.88 13.84 5.25 5.63 0.01 4.90 1.92 19 R C C 153.54 3.51 9.19 14.49 112.45 77.88 -94.66 126.26 77.87 12.79 9.35 57.20 12.92 7.48 4.44 5.02 0.00 10.38 2.55 20 E C C 124.94 3.80 10.65 16.15 111.41 -141.13 -89.38 121.34 73.76 17.92 8.32 58.94 8.41 5.75 3.82 4.55 0.00 15.27 3.26 21 L C C 97.03 6.99 9.70 18.01 111.13 -142.62 -87.02 123.55 71.95 18.19 9.86 48.98 12.80 10.07 2.93 6.85 0.01 16.41 1.96 22 Q C C 117.74 3.80 13.04 18.15 106.17 66.65 -92.46 -3.80 66.90 23.80 9.30 30.51 24.42 13.88 1.95 6.28 0.02 21.54 1.39 23 N E E 91.99 6.59 13.04 21.02 117.12 33.87 -103.85 122.99 45.56 47.06 7.38 27.77 12.18 8.21 1.38 5.19 0.02 44.18 1.09 24 T E E 54.35 10.11 12.53 23.95 122.48 97.46 -116.95 136.39 20.74 78.39 0.87 16.62 3.44 1.00 0.25 0.47 0.00 77.71 0.52 25 Y E E 119.61 8.53 14.70 24.57 124.66 -162.82 -120.17 138.62 4.99 94.93 0.09 4.29 0.44 0.07 0.03 0.03 0.00 94.98 0.15 26 F E E 74.62 10.59 15.19 27.18 126.04 -171.74 -125.34 138.37 1.21 98.77 0.01 1.09 0.05 0.01 0.00 0.00 0.00 98.81 0.03 27 T E E 66.01 10.80 16.02 27.65 124.92 -160.69 -119.34 138.55 0.77 99.22 0.01 0.69 0.03 0.00 0.00 0.00 0.00 99.27 0.01 28 K E E 72.16 10.92 17.49 29.34 128.69 -174.74 -131.70 142.95 0.60 99.39 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.42 0.01 29 L E E 83.94 8.99 19.34 29.07 115.07 -130.85 -91.33 127.35 1.27 98.73 0.01 1.15 0.06 0.01 0.00 0.00 0.00 98.75 0.03 30 V E E 14.93 18.72 13.71 32.92 123.31 -170.93 -118.89 136.20 8.13 91.86 0.01 7.62 0.29 0.01 0.00 0.00 0.00 91.94 0.12 31 P E E 51.01 4.88 20.92 26.47 113.72 -112.07 -67.49 143.78 21.13 78.82 0.06 20.72 0.51 0.05 0.02 0.03 0.00 78.05 0.62 32 Y H H 83.07 15.05 12.08 27.17 91.77 -119.26 -59.01 -36.12 25.44 0.63 73.93 3.65 3.88 16.18 38.40 37.19 0.08 0.41 0.21 33 D H H 114.69 1.42 18.01 18.74 91.91 61.49 -69.15 -22.81 20.32 0.14 79.54 1.23 1.81 15.32 40.76 40.72 0.02 0.08 0.06 34 N H G 77.51 5.86 15.67 22.87 97.22 48.10 -91.96 -3.28 19.05 0.22 80.73 2.76 2.25 12.34 38.31 44.10 0.02 0.11 0.10 35 W H H 32.64 20.23 10.89 30.15 94.53 81.89 -70.97 -29.35 22.44 0.32 77.24 8.78 3.48 10.59 62.58 14.22 0.04 0.16 0.17 36 F H H 113.43 5.35 16.98 23.47 92.55 62.39 -63.48 -42.19 2.11 0.01 97.88 0.66 0.28 0.98 97.58 0.49 0.00 0.00 0.00 37 R H H 150.45 1.24 19.92 19.01 92.44 48.99 -64.77 -41.17 0.64 0.00 99.36 0.13 0.05 0.36 99.21 0.24 0.00 0.00 0.00 38 E H H 55.27 11.37 17.00 29.22 92.35 49.02 -66.00 -40.68 0.29 0.00 99.70 0.05 0.02 0.16 99.63 0.14 0.00 0.00 0.00 39 Q H H 37.01 16.95 14.66 31.46 91.66 52.47 -62.86 -41.73 0.26 0.00 99.74 0.04 0.01 0.14 99.74 0.06 0.00 0.00 0.00 40 Q H H 100.34 2.27 20.53 21.89 91.56 50.85 -64.04 -40.76 0.50 0.00 99.50 0.08 0.03 0.29 99.52 0.07 0.00 0.00 0.00 41 R H H 117.10 3.27 19.45 22.72 91.89 50.22 -64.98 -41.66 0.78 0.02 99.20 0.13 0.06 0.49 99.17 0.13 0.00 0.01 0.00 42 I H H 15.90 18.18 12.41 31.02 91.72 49.80 -64.33 -42.70 1.12 0.06 98.82 0.22 0.10 0.70 98.67 0.27 0.00 0.03 0.01 43 M H H 96.55 8.49 15.24 24.66 91.58 50.77 -63.55 -39.37 2.41 0.04 97.55 0.34 0.16 1.74 96.90 0.83 0.00 0.02 0.00 44 K H H 164.66 0.78 17.14 16.25 90.61 54.90 -66.09 -26.49 14.18 0.05 85.77 0.48 0.48 13.57 84.40 1.01 0.02 0.02 0.02 45 M C T 98.23 6.29 13.84 21.61 93.76 54.08 -87.99 0.19 77.50 0.07 22.43 0.49 1.61 74.42 22.34 1.06 0.00 0.02 0.05 46 G C T 50.73 2.20 19.51 21.10 99.72 -98.87 92.23 9.15 99.60 0.07 0.34 2.47 3.23 94.03 0.15 0.07 0.00 0.04 0.01 47 G C C 13.98 18.06 9.67 27.20 124.48 134.11 -86.25 161.53 95.05 4.93 0.03 87.01 7.24 0.24 0.00 0.02 0.00 5.33 0.15 48 K E E 113.05 3.95 23.66 28.07 127.19 -140.19 -127.35 145.27 21.00 78.97 0.03 19.66 0.88 0.06 0.00 0.02 0.00 78.91 0.46 49 I E E 44.71 19.92 12.86 32.37 110.09 -120.44 -82.91 122.86 1.07 98.93 0.00 1.11 0.01 0.00 0.00 0.00 0.00 98.79 0.08 50 V E E 73.77 6.00 19.47 26.53 100.94 175.86 -96.44 -33.38 1.57 98.42 0.00 1.15 0.24 0.01 0.00 0.00 0.00 98.60 0.00 51 K E E 100.37 4.38 22.26 27.50 138.88 -1.14 -152.65 149.44 0.41 99.59 0.00 0.32 0.02 0.00 0.00 0.00 0.00 99.66 0.00 52 V E E 40.02 21.10 12.01 32.25 124.25 -165.62 -129.78 129.32 0.39 99.61 0.00 0.36 0.00 0.00 0.00 0.00 0.00 99.63 0.00 53 E E E 94.00 4.42 22.53 27.46 127.34 -176.15 -130.99 142.01 1.68 98.31 0.01 1.56 0.04 0.00 0.00 0.00 0.00 98.37 0.02 54 L E E 73.06 13.21 13.66 27.05 113.68 -116.42 -73.28 136.80 10.91 88.89 0.21 9.62 0.89 0.21 0.05 0.14 0.00 88.84 0.26 55 A C C 58.53 8.75 13.08 22.81 102.69 -142.90 -82.65 -6.50 72.56 25.82 1.62 40.29 23.70 8.20 0.18 1.58 0.00 25.26 0.78 56 T C S 95.90 2.84 14.12 17.72 105.71 55.78 -101.23 10.95 80.24 18.50 1.26 27.77 38.12 14.79 0.14 1.25 0.00 16.49 1.45 57 G C C 50.54 4.55 11.49 17.63 107.19 -128.28 86.59 14.19 91.51 8.23 0.26 48.82 39.63 3.46 0.03 0.32 0.00 6.59 1.15 58 K C C 139.45 2.42 13.00 16.83 117.89 119.03 -99.53 137.42 95.06 4.89 0.05 79.40 15.74 0.31 0.01 0.05 0.00 3.36 1.13 59 P C C 96.23 4.68 11.61 18.30 112.80 -106.49 -67.42 144.69 94.77 4.57 0.66 81.41 8.15 5.00 0.12 0.67 0.00 3.33 1.33 60 G C C 44.19 6.76 10.83 19.01 120.02 -135.84 -104.82 168.02 93.49 5.42 1.09 65.09 19.04 9.17 0.18 1.16 0.00 3.19 2.17 61 T C C 99.10 2.89 13.27 17.66 118.15 -116.56 -106.22 138.17 86.73 11.16 2.11 59.40 21.51 5.77 0.50 1.85 0.00 6.02 4.95 62 N C C 98.31 7.20 9.83 18.30 110.44 -125.01 -85.66 118.61 86.53 10.05 3.43 57.69 18.18 10.29 0.71 3.16 0.00 6.27 3.70 63 T C C 92.25 4.05 10.89 16.51 101.39 -169.17 -95.44 5.36 85.91 8.34 5.75 39.70 23.21 23.70 0.94 4.98 0.00 4.98 2.47 64 G C C 52.81 2.94 11.02 15.44 105.55 -110.50 80.91 7.71 81.98 11.58 6.44 35.63 22.77 25.10 1.03 5.32 0.01 7.42 2.72 65 L C C 116.47 3.66 8.85 14.22 106.78 115.41 -88.26 88.94 83.64 11.34 5.02 71.47 3.68 8.44 1.36 3.23 0.00 7.77 4.05 66 L C C 114.30 4.44 11.35 17.40 108.29 -150.25 -87.57 105.67 99.61 0.38 0.01 99.59 0.10 0.04 0.00 0.00 0.00 0.24 0.03