# 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 47.21 15.16 19.08 34.06 120.46 -152.26 -102.94 135.74 99.76 0.24 0.00 99.78 0.06 0.00 0.00 0.00 0.00 0.15 0.01 1 I E E 40.63 14.10 19.42 34.18 120.18 -161.65 -110.96 130.68 18.59 81.40 0.01 18.48 0.22 0.01 0.00 0.00 0.00 80.70 0.58 2 Y E E 32.05 17.88 18.80 36.83 123.42 -166.76 -112.47 140.66 3.17 96.83 0.00 2.56 0.35 0.02 0.00 0.00 0.00 97.04 0.03 3 K E E 49.73 12.68 23.44 36.55 122.06 -153.68 -114.78 133.88 0.61 99.39 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 4 V E E 8.10 23.07 19.31 42.53 120.42 -161.18 -114.37 127.63 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 5 F E E 42.59 12.68 24.69 38.01 120.64 -164.55 -111.42 130.85 0.71 99.29 0.00 0.63 0.02 0.00 0.00 0.00 0.00 99.34 0.01 6 Y E E 39.42 18.12 18.89 36.78 125.76 -166.29 -119.24 139.54 5.54 94.45 0.01 4.87 0.39 0.02 0.00 0.00 0.00 94.47 0.24 7 Q C C 30.69 13.87 16.37 31.58 123.15 -154.46 -111.75 138.45 51.81 48.12 0.08 48.67 2.30 0.15 0.02 0.06 0.00 47.54 1.26 8 E C S 115.63 5.57 17.02 23.83 94.99 -152.46 -77.21 -28.33 97.80 2.13 0.07 29.97 67.06 0.96 0.01 0.06 0.00 1.71 0.22 9 K C C 106.70 2.88 17.88 20.84 128.44 27.37 -129.29 148.16 97.49 2.04 0.47 57.91 37.89 1.65 0.11 0.39 0.00 0.77 1.28 10 A C T 69.97 8.82 10.45 20.47 92.80 -121.03 -64.14 -20.30 98.34 0.44 1.21 4.12 17.00 76.96 0.07 1.42 0.00 0.26 0.17 11 D C T 126.18 0.74 15.00 14.25 95.76 58.77 -86.68 -0.93 97.95 0.84 1.21 6.40 15.48 75.70 0.07 1.55 0.00 0.60 0.22 12 E C C 81.66 7.75 9.65 19.22 116.20 103.54 -80.65 139.91 96.16 2.58 1.27 53.66 40.55 1.57 0.31 0.90 0.00 0.75 2.25 13 V C C 102.27 3.43 13.97 18.82 115.23 -119.05 -84.23 135.32 98.75 0.97 0.28 81.38 16.59 0.77 0.11 0.13 0.00 0.39 0.62 14 P C C 55.66 13.47 9.40 22.93 113.33 -108.00 -67.20 141.66 96.92 1.70 1.38 72.67 20.36 3.74 0.47 0.85 0.00 0.72 1.19 15 V C C 84.04 3.84 14.72 19.72 120.99 -161.73 -108.90 147.72 86.02 8.65 5.33 64.06 16.07 4.12 2.25 2.93 0.01 2.87 7.71 16 R C G 151.11 5.84 11.02 18.34 95.14 -107.47 -61.74 -31.86 52.65 3.04 44.31 17.05 13.35 23.11 3.10 40.49 0.01 1.96 0.93 17 E C G 142.18 2.06 13.94 16.35 95.05 59.97 -75.83 -15.05 54.23 2.58 43.19 11.75 12.01 30.74 2.73 40.31 0.02 1.74 0.70 18 K C G 118.85 5.04 14.78 20.95 101.45 54.38 -96.54 5.82 51.07 5.84 43.09 22.20 11.31 18.93 2.95 39.26 0.02 4.18 1.15 19 T C C 31.91 17.27 10.00 26.69 118.70 108.94 -94.24 138.42 79.01 19.19 1.80 66.08 10.02 2.29 0.61 1.23 0.00 17.06 2.72 20 D C C 77.91 6.84 20.28 27.71 105.01 -168.97 -100.12 2.06 62.57 36.83 0.60 39.09 22.19 2.21 0.14 0.45 0.00 34.63 1.29 21 S E E 35.00 14.08 17.09 31.37 133.09 63.39 -132.62 152.30 26.41 73.36 0.22 19.89 6.41 0.56 0.06 0.14 0.00 72.43 0.51 22 L E E 39.65 15.46 18.47 34.31 124.55 -161.82 -122.48 136.37 5.42 94.53 0.05 4.92 0.39 0.04 0.01 0.02 0.00 94.50 0.12 23 Y E E 86.21 12.63 20.86 33.63 121.74 -156.86 -112.09 131.85 1.74 98.24 0.01 1.67 0.06 0.01 0.00 0.00 0.00 98.22 0.04 24 I E E 25.17 18.33 17.89 36.41 125.67 -172.56 -123.88 136.61 0.73 99.27 0.01 0.72 0.01 0.00 0.00 0.00 0.00 99.21 0.05 25 E E E 92.45 8.58 22.76 31.87 119.24 -153.34 -104.79 131.69 2.84 97.14 0.02 2.60 0.14 0.03 0.01 0.01 0.00 97.03 0.20 26 G E E 9.69 15.44 14.05 30.62 139.03 155.15 -149.57 164.17 39.00 60.91 0.09 36.11 1.68 0.16 0.03 0.06 0.00 61.24 0.73 27 V C S 111.77 2.91 19.52 22.78 95.25 -121.93 -81.65 -22.38 99.14 0.84 0.02 5.85 93.21 0.28 0.00 0.00 0.00 0.62 0.04 28 S C S 45.73 3.47 22.57 25.67 138.65 7.50 -150.18 163.65 97.44 2.16 0.40 28.19 69.45 0.37 0.32 0.07 0.00 0.67 0.94 29 E H H 71.39 16.23 13.32 29.12 91.49 -106.50 -60.18 -36.89 4.83 0.05 95.11 1.07 1.10 2.72 92.83 2.22 0.01 0.03 0.02 30 R H H 150.56 2.23 20.35 22.46 91.46 55.60 -62.90 -40.75 3.93 0.15 95.92 1.09 0.56 2.31 93.69 2.18 0.02 0.12 0.03 31 D H H 58.42 4.94 19.55 25.37 91.69 49.69 -65.38 -40.03 1.99 0.17 97.84 0.98 0.30 0.89 95.41 2.24 0.01 0.14 0.02 32 V H H 4.60 22.71 13.52 36.67 91.56 51.13 -62.96 -43.90 1.20 0.24 98.56 0.59 0.16 0.51 97.65 0.87 0.00 0.18 0.02 33 R H H 78.65 13.71 18.57 32.01 91.65 50.96 -63.45 -41.42 1.34 0.13 98.53 0.51 0.15 0.67 97.50 1.03 0.00 0.12 0.01 34 T H H 79.49 1.74 22.51 22.05 91.79 49.97 -64.56 -41.46 2.34 0.11 97.55 0.51 0.21 1.50 95.93 1.73 0.01 0.09 0.01 35 K H H 77.54 8.88 18.26 28.01 92.08 49.41 -66.45 -37.40 5.40 0.06 94.54 0.52 0.37 4.46 92.85 1.73 0.02 0.04 0.02 36 L H H 10.41 21.89 10.96 32.46 94.33 48.49 -79.95 -20.33 17.86 0.30 81.84 2.95 1.74 13.14 78.79 3.05 0.04 0.17 0.12 37 K H H 124.47 6.07 14.36 22.35 92.04 77.45 -62.31 -32.37 49.81 0.35 49.84 4.57 3.04 41.07 46.04 4.87 0.04 0.18 0.18 38 E C T 156.02 0.84 16.21 15.48 92.60 54.60 -79.16 -10.88 64.43 0.26 35.31 4.13 4.77 54.75 31.08 5.01 0.02 0.11 0.15 39 K C S 80.07 11.71 10.17 22.16 113.08 77.75 -96.83 117.21 89.46 0.53 10.00 16.63 55.00 18.18 7.18 2.38 0.00 0.19 0.43 40 K C C 169.89 1.06 17.97 17.95 99.69 -122.59 -40.27 62.51 98.11 0.81 1.07 46.69 21.38 30.11 0.24 0.86 0.00 0.51 0.21 41 F C C 52.08 16.65 10.07 26.23 127.28 131.01 -113.64 149.99 87.41 11.51 1.09 56.62 25.20 5.73 0.20 1.03 0.00 9.40 1.81 42 N C C 87.59 4.72 21.47 26.42 107.92 -126.52 -88.76 108.55 67.26 31.61 1.13 51.87 10.12 4.65 0.15 1.11 0.00 30.80 1.29 43 I E E 38.45 20.55 11.16 30.65 114.01 -162.23 -97.75 120.20 20.42 79.32 0.26 20.02 0.77 0.11 0.07 0.14 0.00 78.26 0.64 44 E E E 101.47 5.20 19.43 25.50 101.76 178.28 -93.48 -35.23 19.99 79.79 0.22 11.87 7.70 0.37 0.03 0.13 0.00 79.80 0.10 45 F E E 100.13 5.64 21.92 28.09 133.82 4.37 -148.15 143.35 2.66 97.12 0.22 2.00 0.37 0.13 0.04 0.10 0.00 97.33 0.03 46 I E E 38.76 22.05 11.95 32.90 122.16 -163.55 -120.99 126.32 0.99 99.00 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.99 0.01 47 T E E 63.60 5.50 22.68 28.79 125.66 -174.52 -128.14 137.09 0.59 99.41 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 48 P E E 71.92 10.56 17.68 28.65 114.60 -109.95 -67.28 142.52 2.53 97.47 0.00 2.40 0.07 0.00 0.00 0.00 0.00 97.46 0.07 49 V C C 30.37 18.70 9.89 27.91 115.39 -129.63 -90.70 132.13 65.96 33.97 0.07 64.61 1.01 0.08 0.02 0.03 0.00 33.64 0.60 50 D C C 103.54 2.19 17.15 19.83 123.11 -161.97 -114.58 154.85 93.14 6.35 0.51 90.16 3.02 0.34 0.32 0.13 0.00 5.31 0.71 51 G H H 46.57 3.14 15.46 19.29 103.03 -28.98 50.34 -92.05 10.28 0.06 89.67 2.02 2.52 6.03 86.91 2.44 0.02 0.02 0.03 52 A H H 72.33 1.97 16.21 17.83 93.01 37.38 -65.33 -37.64 4.01 0.02 95.97 0.49 0.46 2.92 93.76 2.32 0.02 0.01 0.01 53 F H H 57.64 10.98 13.46 25.72 92.05 53.43 -64.46 -40.87 1.47 0.01 98.52 0.35 0.15 0.91 96.22 2.35 0.00 0.01 0.00 54 L H H 43.13 12.19 13.27 26.55 91.74 51.12 -64.12 -40.90 0.43 0.00 99.57 0.13 0.04 0.21 99.27 0.34 0.00 0.00 0.00 55 E H H 111.65 1.75 18.98 19.47 91.82 51.29 -64.08 -41.23 0.36 0.00 99.64 0.08 0.03 0.21 99.47 0.21 0.00 0.00 0.00 56 Y H H 103.29 3.96 16.75 21.57 92.11 49.88 -65.05 -40.87 0.63 0.00 99.37 0.11 0.05 0.42 99.07 0.35 0.00 0.00 0.00 57 E H H 33.35 15.36 11.52 27.26 92.24 51.38 -65.69 -37.77 1.73 0.00 98.26 0.24 0.13 1.25 97.80 0.59 0.00 0.00 0.00 58 Q H H 101.97 6.15 14.23 21.75 91.59 55.93 -67.83 -27.36 16.33 0.02 83.65 0.78 0.71 14.56 83.12 0.80 0.01 0.00 0.02 59 Q H H 142.55 0.93 15.43 15.03 94.08 54.35 -85.09 -10.05 48.06 0.13 51.81 2.98 3.53 40.08 52.10 1.16 0.02 0.04 0.09 60 S C C 37.31 11.02 7.28 19.02 117.71 96.71 -85.71 140.67 96.59 0.98 2.43 54.98 38.16 3.31 1.81 0.63 0.00 0.29 0.83 61 E C T 165.85 0.71 13.76 13.62 93.65 -142.56 -68.42 -21.15 96.23 0.26 3.50 3.50 20.51 72.47 1.19 2.06 0.00 0.15 0.12 62 N C T 99.76 4.30 12.13 17.94 96.39 55.67 -90.84 3.78 96.09 1.31 2.60 7.50 16.17 72.59 0.66 1.82 0.00 1.05 0.20 63 F C E 57.50 16.30 8.01 23.38 120.90 96.14 -101.38 137.32 50.17 48.41 1.42 45.36 3.79 1.02 0.53 0.86 0.00 45.92 2.53 64 K E E 129.70 2.58 18.02 21.44 126.15 -171.89 -127.76 141.29 37.56 61.74 0.71 35.85 1.05 0.38 0.35 0.25 0.00 60.99 1.13 65 V E E 76.14 11.91 10.60 22.94 115.96 -129.88 -93.52 129.46 34.16 64.43 1.41 31.42 1.74 0.68 0.58 0.59 0.00 64.13 0.86 66 L E E 94.31 5.41 11.09 18.32 118.21 -160.31 -100.88 136.50 42.18 55.76 2.06 35.30 4.37 1.78 0.71 1.04 0.00 56.02 0.78 67 E E E 145.67 2.24 11.30 15.31 114.51 -133.94 -94.90 129.85 46.34 52.42 1.23 43.25 1.22 1.13 0.40 0.60 0.00 52.03 1.37 68 L C C 97.54 7.59 10.36 19.29 112.94 -149.23 -93.17 126.15 98.96 1.02 0.01 99.06 0.06 0.02 0.00 0.00 0.00 0.83 0.02