# 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 106.83 6.84 12.08 20.33 117.22 -163.17 -99.89 132.75 99.91 0.08 0.01 99.85 0.07 0.03 0.00 0.00 0.00 0.03 0.01 1 E C C 120.03 4.68 12.36 18.82 116.31 -146.76 -92.77 135.68 97.97 0.60 1.43 95.83 1.22 0.99 1.22 0.14 0.00 0.19 0.41 2 T C C 65.99 5.62 13.73 20.89 116.24 -120.79 -81.91 145.24 92.15 0.23 7.62 77.98 10.54 1.67 9.27 0.35 0.00 0.06 0.14 3 P H H 47.35 13.03 13.48 27.19 93.21 -114.16 -59.59 -36.80 17.66 0.09 82.25 6.75 2.16 8.37 80.74 1.90 0.00 0.03 0.05 4 L H H 54.21 13.30 14.85 28.45 92.15 53.75 -64.50 -38.53 7.73 0.06 92.21 2.41 0.91 4.22 90.29 2.10 0.01 0.03 0.03 5 D H H 77.66 3.03 18.76 21.80 91.88 51.97 -64.65 -39.41 3.01 0.05 96.95 1.57 0.37 1.11 94.36 2.54 0.00 0.03 0.01 6 L H H 56.91 8.81 17.42 27.47 92.05 50.91 -64.46 -41.29 1.34 0.02 98.63 0.45 0.14 0.68 96.81 1.90 0.00 0.02 0.00 7 L H H 17.44 21.18 14.35 34.99 92.00 50.69 -64.16 -41.11 1.32 0.02 98.66 0.30 0.11 0.79 96.71 2.08 0.00 0.01 0.00 8 K H H 109.40 7.70 18.41 27.10 91.30 53.12 -62.64 -38.69 3.28 0.02 96.70 0.39 0.20 2.41 93.43 3.54 0.01 0.01 0.00 9 L H H 102.92 2.99 20.61 23.31 91.45 54.18 -67.47 -28.10 16.19 0.03 83.78 0.51 0.57 15.25 80.33 3.28 0.02 0.01 0.01 10 N C T 30.45 16.04 15.25 31.75 96.25 45.82 -95.92 -6.40 52.01 0.47 47.52 3.69 1.95 44.96 44.81 4.10 0.03 0.24 0.22 11 L C T 45.46 18.01 13.76 31.17 101.40 107.25 -64.80 22.53 93.88 2.21 3.91 2.03 2.78 90.24 1.90 1.11 0.00 1.22 0.71 12 D C T 108.13 3.01 21.37 24.57 94.95 33.90 -62.86 4.88 97.05 1.68 1.26 1.30 4.52 91.64 0.24 0.63 0.00 1.57 0.10 13 E C C 70.73 10.59 16.89 28.44 124.16 109.21 -89.70 151.22 94.34 5.49 0.16 47.29 46.08 0.79 0.04 0.09 0.00 5.49 0.22 14 R E E 119.26 7.92 21.47 30.01 113.93 -115.88 -81.67 130.78 10.07 89.87 0.06 10.12 0.29 0.04 0.03 0.02 0.00 88.78 0.73 15 V E E 6.02 23.63 15.10 39.12 131.41 -176.22 -130.19 149.21 1.37 98.62 0.01 1.33 0.04 0.00 0.00 0.00 0.00 98.60 0.03 16 Y E E 60.85 9.95 25.11 36.07 117.01 -138.17 -103.55 128.31 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 17 I E E 5.76 24.37 17.48 42.46 120.54 -165.94 -114.54 128.50 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 18 K E E 82.82 8.05 23.67 32.17 114.61 -154.57 -100.18 122.97 1.35 98.63 0.02 1.19 0.05 0.01 0.01 0.00 0.00 98.72 0.02 19 L E E 24.29 18.68 12.74 31.13 123.79 -171.22 -108.83 144.64 17.72 81.98 0.30 14.71 1.99 0.50 0.06 0.19 0.00 82.21 0.33 20 R C T 135.86 6.14 14.96 22.20 108.46 -73.95 -75.64 119.51 54.46 39.13 6.41 7.41 13.13 38.47 0.40 5.77 0.01 33.60 1.21 21 G C T 59.43 1.44 15.42 16.58 102.33 -4.92 72.95 -40.15 92.40 0.94 6.66 3.61 14.37 73.46 0.26 7.40 0.00 0.67 0.23 22 A C T 77.62 4.90 14.72 20.39 99.64 -34.74 -87.29 6.16 93.89 1.73 4.38 6.82 23.96 62.46 0.16 5.01 0.00 1.32 0.25 23 R E E 84.62 10.82 14.44 26.41 120.36 123.41 -94.07 139.42 25.96 73.94 0.10 21.98 2.24 0.57 0.01 0.08 0.00 74.85 0.27 24 T E E 46.41 12.40 18.88 31.96 126.79 -167.41 -123.96 139.87 2.76 97.23 0.01 2.29 0.19 0.01 0.00 0.00 0.00 97.48 0.03 25 L E E 11.93 21.03 18.60 39.81 123.68 -164.26 -118.43 135.24 0.18 99.82 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 26 V E E 51.38 10.85 25.60 36.71 123.94 -164.80 -118.12 135.25 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 27 G E E 6.05 16.27 21.98 38.86 144.99 117.34 -173.25 -177.05 0.43 99.57 0.00 0.33 0.03 0.00 0.00 0.00 0.00 99.64 0.00 28 T E E 45.36 9.38 26.30 36.87 122.72 -76.56 -114.40 139.10 0.61 99.39 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.45 0.01 29 L E E 8.32 24.56 15.45 40.88 110.30 -116.42 -74.76 126.85 1.92 98.08 0.00 1.88 0.03 0.00 0.00 0.00 0.00 98.05 0.03 30 Q E E 74.12 7.91 23.80 32.48 100.60 176.38 -98.08 -29.42 4.32 95.67 0.01 2.88 1.09 0.05 0.00 0.01 0.00 95.95 0.02 31 A E E 34.83 7.64 25.09 33.88 143.60 -3.80 -162.08 157.90 1.51 98.48 0.01 1.09 0.22 0.02 0.00 0.01 0.00 98.65 0.01 32 F E E 56.99 20.84 12.59 32.19 132.71 -160.74 -141.82 147.62 1.57 98.42 0.01 1.48 0.10 0.01 0.00 0.00 0.00 97.07 1.34 33 D C C 54.52 6.51 17.30 25.00 127.36 -145.07 -93.24 174.39 94.01 5.96 0.03 94.01 0.37 0.08 0.00 0.01 0.00 5.20 0.32 34 S C T 93.70 2.18 15.30 18.46 91.27 -88.76 -65.15 -19.04 99.32 0.09 0.59 0.19 3.09 96.02 0.01 0.62 0.00 0.05 0.02 35 H C T 117.27 4.12 16.93 21.88 94.00 53.71 -90.70 4.06 99.37 0.05 0.59 0.21 3.16 95.95 0.01 0.64 0.00 0.02 0.01 36 C C S 25.56 16.67 14.97 31.94 93.92 -112.11 70.21 23.69 98.43 0.82 0.75 36.70 57.75 3.87 0.07 0.80 0.00 0.42 0.39 37 N C C 38.82 10.14 22.21 33.59 116.98 147.04 -81.04 140.77 95.80 4.18 0.02 93.33 2.47 0.20 0.00 0.01 0.00 3.41 0.56 38 I E E 8.36 24.29 17.97 42.75 118.28 -141.57 -104.63 129.27 0.80 99.20 0.00 0.85 0.01 0.00 0.00 0.00 0.00 98.98 0.15 39 V E E 31.26 11.24 26.80 39.04 118.85 -165.12 -114.68 127.47 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 40 L E E 8.63 24.27 17.41 42.04 118.85 -163.78 -110.23 127.75 0.35 99.65 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.00 41 S E E 33.57 8.65 23.09 32.30 131.66 -173.32 -119.74 167.19 5.08 94.91 0.00 3.22 1.20 0.07 0.00 0.01 0.00 95.48 0.02 42 D E E 92.48 4.29 23.98 28.53 95.77 9.21 56.09 50.30 4.40 95.59 0.00 2.88 0.69 0.08 0.00 0.00 0.00 96.34 0.01 43 A E E 7.53 23.48 12.06 35.39 118.33 166.23 -81.97 140.98 1.51 98.49 0.00 1.45 0.02 0.00 0.00 0.00 0.00 98.52 0.01 44 V E E 50.67 8.12 24.73 33.63 121.78 -159.53 -118.57 132.23 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 45 E E E 36.11 18.13 16.81 34.92 120.16 -160.69 -109.88 130.37 0.25 99.75 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 46 T E E 34.48 9.72 20.07 31.48 120.64 -167.88 -116.58 132.20 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 47 I E E 35.62 13.17 16.35 31.23 119.62 -161.50 -112.28 128.88 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 48 Y E E 75.34 9.46 16.85 27.99 121.33 -167.05 -113.81 133.77 0.72 99.28 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.34 0.01 49 Q E E 73.27 7.59 14.91 24.33 121.10 -163.03 -115.62 133.07 2.57 97.42 0.02 2.09 0.20 0.04 0.00 0.00 0.00 97.62 0.04 50 L E E 79.39 7.61 10.62 20.08 117.65 -154.83 -105.75 127.60 14.35 85.57 0.08 10.98 2.59 0.43 0.01 0.06 0.00 85.63 0.29 51 N C C 94.65 3.06 10.57 15.28 119.65 175.12 -122.23 130.32 57.77 42.02 0.21 48.65 5.64 1.01 0.03 0.18 0.00 43.97 0.51 52 N C T 139.73 0.73 11.21 11.49 99.17 -51.89 10.92 -35.25 98.66 0.54 0.80 11.12 39.02 48.56 0.07 0.74 0.00 0.39 0.10 53 E C T 163.79 0.89 10.31 11.27 99.89 -15.64 -93.74 -3.49 98.19 0.88 0.93 11.81 40.66 45.76 0.08 0.89 0.00 0.68 0.13 54 E E E 122.60 2.08 11.55 14.91 123.03 82.21 -114.31 141.77 45.29 54.38 0.33 35.32 8.36 1.57 0.05 0.32 0.00 53.46 0.92 55 L E E 85.83 9.93 8.43 19.22 119.91 -150.50 -105.54 133.73 17.28 82.65 0.07 15.30 1.13 0.21 0.01 0.05 0.00 83.01 0.29 56 S E E 53.24 4.44 15.46 21.39 128.26 -175.55 -125.64 151.20 7.15 92.80 0.05 5.93 0.64 0.13 0.01 0.03 0.00 93.17 0.09 57 E E E 110.12 9.16 11.62 22.46 124.99 -154.07 -121.32 140.30 3.61 96.37 0.02 3.10 0.24 0.05 0.00 0.01 0.00 96.54 0.05 58 S E E 46.03 6.70 14.67 23.28 129.81 -177.58 -132.92 151.89 2.57 97.42 0.01 2.21 0.15 0.02 0.00 0.00 0.00 97.59 0.02 59 E E E 119.95 6.84 13.10 22.24 122.97 -149.03 -118.29 136.84 1.91 98.09 0.01 1.61 0.12 0.01 0.00 0.00 0.00 98.24 0.02 60 R E E 99.47 8.09 14.31 24.06 127.53 -176.52 -130.91 142.47 2.84 97.15 0.00 2.50 0.14 0.01 0.00 0.00 0.00 97.30 0.05 61 R E E 155.74 4.12 15.87 21.87 115.21 -135.47 -95.85 131.06 7.94 92.05 0.01 7.21 0.39 0.02 0.00 0.01 0.00 92.13 0.23 62 C E E 31.66 14.46 11.25 26.14 130.46 157.80 -129.04 155.28 32.72 67.12 0.16 31.18 1.19 0.12 0.02 0.13 0.00 67.06 0.30 63 E E E 121.59 3.66 19.38 23.33 96.74 -124.52 -74.27 -30.21 49.43 50.46 0.10 16.59 30.53 1.01 0.01 0.10 0.00 51.62 0.15 64 M E E 69.31 11.47 17.47 29.41 129.50 13.81 -131.58 140.09 10.64 89.29 0.07 8.36 1.40 0.14 0.01 0.04 0.00 89.99 0.07 65 V E E 22.76 17.65 17.65 35.77 123.16 -167.03 -121.64 132.09 0.72 99.28 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.29 0.02 66 F E E 67.63 12.10 23.55 35.90 117.43 -152.23 -105.38 127.41 0.24 99.76 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.76 0.02 67 I E E 13.04 21.89 17.87 40.06 120.88 -169.56 -116.21 130.14 4.59 95.41 0.00 4.57 0.06 0.00 0.00 0.00 0.00 95.26 0.10 68 R C C 97.83 8.24 23.60 32.09 115.59 -140.96 -83.12 137.94 72.46 27.47 0.07 66.89 3.53 0.22 0.01 0.07 0.00 28.89 0.38 69 G H G 18.57 16.89 16.23 32.35 101.93 -133.73 -49.63 -39.99 40.81 5.09 54.10 10.52 14.78 14.98 0.86 54.47 0.01 3.90 0.48 70 D H G 106.01 3.33 21.27 25.10 93.81 62.28 -72.68 -17.74 37.32 3.49 59.20 3.65 11.76 20.60 0.56 60.31 0.01 2.80 0.30 71 T H G 52.96 10.83 17.71 29.30 97.28 51.51 -95.59 -2.89 28.31 9.27 62.42 7.03 5.70 15.36 0.77 62.16 0.00 8.66 0.31 72 V E E 19.88 22.37 11.76 33.67 112.19 101.37 -83.50 123.32 7.56 92.24 0.20 7.15 0.51 0.10 0.08 0.09 0.00 91.62 0.46 73 T E E 71.40 5.85 21.18 27.77 101.34 176.19 -97.06 -31.54 4.21 95.75 0.04 3.51 0.50 0.05 0.01 0.02 0.00 95.86 0.06 74 L E E 78.16 6.68 22.62 30.02 135.57 1.93 -150.23 144.12 0.91 99.07 0.02 0.80 0.05 0.01 0.00 0.00 0.00 99.10 0.02 75 I E E 43.66 21.01 13.96 33.95 123.49 -166.46 -126.27 128.19 1.63 98.35 0.02 1.55 0.07 0.01 0.01 0.00 0.00 98.26 0.10 76 S E E 48.69 6.89 21.51 29.18 132.41 172.48 -137.79 155.32 21.10 78.87 0.02 18.82 1.48 0.05 0.01 0.01 0.00 79.24 0.38 77 T C C 63.59 11.12 16.07 27.53 117.16 -105.16 -76.78 146.08 86.75 13.11 0.14 80.45 4.72 0.33 0.03 0.10 0.00 14.00 0.36 78 P C C 58.80 11.61 13.16 25.46 112.71 -105.61 -66.67 149.54 87.48 4.55 7.97 69.10 8.70 9.55 1.89 6.16 0.00 3.64 0.96 79 S C C 70.77 5.27 14.02 20.73 112.60 -118.61 -86.67 140.34 82.71 5.67 11.62 56.75 12.42 13.11 3.23 8.71 0.00 3.30 2.47 80 E C C 127.90 4.91 11.93 18.49 105.50 -134.33 -85.36 50.15 75.53 7.89 16.58 43.09 18.86 14.25 4.87 11.28 0.03 4.54 3.07 81 D C C 92.94 4.83 11.12 17.59 109.82 84.41 -93.36 106.50 79.44 7.24 13.32 46.30 17.49 16.12 4.48 8.49 0.02 4.20 2.89 82 D C C 96.73 5.12 10.71 17.50 105.56 -152.95 -87.91 59.12 83.46 4.25 12.29 37.24 22.29 24.81 3.97 7.54 0.01 2.23 1.89 83 D C T 102.81 3.79 11.64 16.90 101.30 130.83 -84.57 8.93 85.25 2.23 12.52 27.13 23.59 35.26 3.77 7.93 0.01 1.14 1.16 84 G C C 46.87 5.46 11.48 18.40 100.76 -107.87 68.01 3.03 80.57 3.21 16.22 28.36 24.92 28.29 3.94 11.32 0.01 1.76 1.40 85 A C C 67.09 4.98 11.33 17.86 102.45 105.32 -83.53 -5.28 73.74 8.81 17.45 36.65 21.19 17.29 4.86 11.75 0.04 5.68 2.55 86 V C C 74.46 8.89 9.17 19.07 115.28 86.42 -95.37 129.45 67.04 17.74 15.22 41.03 15.47 11.66 5.24 9.60 0.06 12.75 4.19 87 E C C 135.19 2.94 12.79 17.33 113.08 -144.73 -92.33 126.39 76.37 15.41 8.22 67.14 3.66 5.41 3.36 4.19 0.00 12.34 3.90 88 I C C 89.56 10.35 11.47 22.41 111.64 -150.11 -92.54 119.83 99.58 0.40 0.02 99.61 0.07 0.03 0.01 0.00 0.00 0.26 0.02