# 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 63.30 14.78 16.49 30.98 118.97 -163.50 -102.74 135.22 99.79 0.21 0.00 99.79 0.05 0.00 0.00 0.00 0.00 0.14 0.00 1 I E E 48.10 13.19 18.93 32.79 120.72 -159.36 -109.24 132.68 11.26 88.74 0.00 11.22 0.19 0.01 0.00 0.00 0.00 88.21 0.37 2 L E E 56.17 12.54 21.15 33.93 117.30 -148.56 -98.77 129.86 2.38 97.62 0.00 2.16 0.10 0.00 0.00 0.00 0.00 97.69 0.04 3 A E E 6.05 21.81 18.18 39.94 137.29 174.40 -139.57 159.12 0.79 99.20 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.28 0.00 4 K E E 67.83 9.67 26.38 36.91 120.45 -128.22 -108.80 133.76 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 5 V E E 7.35 24.42 15.35 40.76 110.93 -124.10 -79.85 124.16 0.45 99.55 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.00 6 T E E 56.73 7.65 23.56 31.84 102.47 174.57 -106.08 -14.20 1.62 98.38 0.00 1.32 0.09 0.00 0.00 0.00 0.00 98.56 0.02 7 G E E 20.03 7.22 22.85 31.03 145.30 -15.53 166.39 -175.89 3.42 96.58 0.00 1.85 1.26 0.04 0.00 0.00 0.00 96.84 0.02 8 H E E 90.31 8.80 22.41 31.70 124.47 -64.42 -112.67 143.29 3.57 96.42 0.00 3.06 0.25 0.01 0.00 0.00 0.00 96.64 0.04 9 V E E 16.97 22.59 14.93 37.47 122.93 -157.68 -119.18 134.47 3.19 96.80 0.01 3.06 0.13 0.01 0.00 0.01 0.00 96.65 0.14 10 V E E 61.72 7.78 24.40 32.71 121.98 -161.86 -115.52 134.13 8.24 91.72 0.04 7.64 0.56 0.06 0.01 0.02 0.00 91.18 0.52 11 A C E 19.73 20.37 12.14 31.87 116.31 -137.54 -90.20 136.78 51.27 48.32 0.40 46.20 3.55 0.49 0.10 0.28 0.00 48.42 0.96 12 T C S 84.50 4.40 19.78 24.89 99.87 -164.82 -99.47 -16.35 90.06 9.63 0.31 26.28 60.16 3.25 0.03 0.30 0.00 9.38 0.60 13 Q C C 102.66 4.07 19.68 24.45 126.33 39.81 -123.78 138.95 83.94 15.09 0.97 44.71 36.10 4.10 0.22 0.89 0.00 10.75 3.23 14 K C C 90.83 14.74 11.52 25.85 127.70 -162.48 -124.43 143.48 84.17 14.96 0.87 71.64 10.69 1.22 0.36 0.55 0.00 7.95 7.58 15 C C C 42.43 8.50 12.46 22.78 121.71 -153.51 -97.15 158.91 91.31 8.19 0.50 80.59 9.67 0.61 0.25 0.26 0.00 3.98 4.65 16 D C T 128.46 0.85 14.88 15.09 91.15 -105.67 -60.11 -32.81 57.09 0.24 42.67 1.14 5.38 47.34 1.70 44.19 0.00 0.12 0.13 17 E C T 120.14 4.35 15.07 20.62 91.92 54.89 -74.10 -22.82 57.69 0.16 42.15 0.94 3.74 50.13 1.70 43.33 0.00 0.08 0.08 18 L C T 19.67 20.24 9.82 29.29 100.48 42.36 -104.16 1.32 56.06 3.45 40.49 4.10 7.19 43.02 2.27 40.39 0.01 2.14 0.87 19 R C T 146.23 4.52 16.07 22.75 111.59 133.14 -64.44 130.64 91.25 6.92 1.83 4.05 3.37 84.47 0.51 0.82 0.00 5.15 1.62 20 G C T 46.80 3.79 18.72 23.27 95.28 17.83 82.67 -4.34 97.21 2.26 0.52 3.02 5.18 89.01 0.08 0.36 0.00 2.26 0.09 21 S C C 28.55 13.84 15.90 30.55 122.76 126.08 -87.09 152.52 86.35 13.53 0.12 74.34 10.65 0.59 0.02 0.12 0.00 13.63 0.65 22 N E E 48.99 12.26 22.36 35.00 120.71 -129.22 -99.97 136.35 11.85 88.14 0.01 11.10 0.65 0.04 0.00 0.01 0.00 87.63 0.58 23 L E E 10.74 22.38 20.07 42.15 129.41 -170.23 -123.70 146.58 0.65 99.35 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.38 0.01 24 L E E 13.02 19.83 23.90 43.69 118.71 -136.27 -102.60 132.08 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 25 L E E 14.21 18.94 24.99 43.86 117.40 -152.59 -101.28 128.14 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 26 I E E 7.65 23.19 21.21 44.42 122.55 -167.12 -114.59 132.59 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 27 T E E 25.66 13.35 23.69 37.66 126.93 -171.25 -121.33 141.66 1.32 98.68 0.00 1.17 0.03 0.00 0.00 0.00 0.00 98.79 0.01 28 R E E 80.73 12.20 20.87 33.30 113.58 -112.05 -73.72 136.95 3.93 96.07 0.00 3.26 0.35 0.01 0.00 0.00 0.00 96.33 0.05 29 L E E 28.21 14.95 13.49 29.54 126.78 -162.22 -118.64 149.27 9.05 90.93 0.03 8.77 0.53 0.02 0.02 0.01 0.00 73.84 16.81 30 D C C 53.87 5.48 15.16 22.16 125.03 -129.06 -84.20 -173.83 97.12 2.84 0.04 97.38 0.36 0.08 0.01 0.01 0.00 1.82 0.33 31 D C T 122.04 2.42 11.96 16.23 90.90 -86.92 -65.16 -17.82 99.38 0.13 0.49 0.28 3.25 95.88 0.01 0.47 0.00 0.08 0.03 32 K C T 156.16 0.90 13.60 13.46 93.54 52.11 -90.48 4.19 99.43 0.07 0.51 0.23 3.26 95.93 0.01 0.51 0.00 0.03 0.02 33 Q C S 89.65 10.96 10.63 22.22 94.07 -112.16 68.78 22.76 98.79 0.53 0.68 19.28 77.34 2.30 0.06 0.52 0.00 0.24 0.25 34 Q C C 106.74 2.48 17.56 20.53 119.30 142.90 -92.59 141.53 97.35 2.60 0.05 87.82 9.46 0.30 0.01 0.03 0.00 1.64 0.74 35 P E B 64.67 11.99 12.27 24.85 113.65 -104.10 -64.63 143.67 6.11 93.81 0.08 4.90 0.32 0.03 0.10 0.01 0.00 26.29 68.34 36 M C C 65.49 10.90 11.62 23.69 114.01 -130.29 -87.00 138.41 79.50 19.49 1.01 74.35 3.28 1.07 0.13 0.97 0.00 19.12 1.08 37 K C C 150.78 3.04 14.07 18.51 97.61 -133.44 -72.40 -24.96 80.34 14.42 5.23 41.60 20.18 18.32 0.37 5.74 0.00 12.68 1.11 38 D C S 111.54 2.29 15.64 18.25 97.73 54.40 -84.62 -3.34 81.79 12.16 6.06 24.90 32.75 23.94 0.30 6.31 0.00 10.97 0.83 39 Q C C 82.21 9.68 15.38 25.69 109.39 71.42 -104.84 99.26 76.27 19.61 4.11 51.01 19.06 4.98 0.28 4.05 0.00 19.87 0.75 40 T E E 34.03 15.57 16.38 32.20 119.21 149.68 -97.95 139.85 48.51 51.40 0.09 44.19 2.72 0.18 0.01 0.07 0.00 52.28 0.54 41 W E E 47.82 16.74 21.97 38.44 125.28 -161.00 -117.07 139.96 1.79 98.21 0.00 1.59 0.09 0.00 0.00 0.00 0.00 98.21 0.11 42 V E E 12.46 21.72 24.37 45.30 122.07 -155.65 -113.43 131.27 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 43 A E E 4.40 23.18 25.96 48.15 124.49 -168.64 -114.76 138.95 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 44 V E E 18.17 20.59 25.91 45.35 125.37 -165.73 -122.06 136.17 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.61 0.02 45 D E E 14.22 21.26 19.80 40.39 123.43 -169.53 -127.18 130.19 14.46 85.52 0.01 13.77 0.54 0.03 0.00 0.01 0.00 85.30 0.34 46 N C S 87.79 8.24 22.43 31.44 95.37 -158.61 -86.44 -11.80 89.80 9.84 0.36 29.57 54.05 5.65 0.04 0.36 0.00 9.74 0.59 47 V C S 71.85 8.96 21.11 30.28 98.74 61.58 -86.41 -5.46 91.59 7.95 0.46 6.66 67.31 18.47 0.04 0.40 0.00 6.01 1.10 48 G C C 35.43 9.29 22.95 32.35 100.72 -114.98 73.90 32.83 98.33 1.51 0.15 79.28 10.16 8.90 0.02 0.16 0.00 1.02 0.47 49 A C C 12.30 23.47 14.00 36.50 118.31 174.26 -97.62 143.32 97.69 2.25 0.05 96.01 1.64 0.13 0.02 0.02 0.00 0.65 1.53 50 G C C 25.00 7.06 23.84 31.19 136.62 -168.68 -127.64 -177.20 94.57 5.32 0.11 80.96 12.30 0.51 0.05 0.06 0.00 1.43 4.69 51 M C T 109.20 7.37 18.31 26.44 108.58 -57.04 -65.45 136.15 99.38 0.42 0.19 0.26 4.74 94.50 0.01 0.16 0.00 0.22 0.11 52 H C T 127.20 4.44 21.36 26.22 95.57 18.79 74.27 3.45 99.74 0.16 0.10 0.77 4.62 94.36 0.00 0.11 0.00 0.12 0.02 53 D C C 20.27 18.38 15.04 33.85 118.39 134.46 -72.97 144.36 93.09 6.89 0.02 90.98 2.23 0.08 0.00 0.02 0.00 6.38 0.30 54 I E E 52.70 10.69 25.44 36.83 117.31 -136.03 -100.60 129.38 1.96 98.04 0.00 1.93 0.05 0.00 0.00 0.00 0.00 97.74 0.28 55 V E E 3.36 26.24 18.66 45.61 124.02 -168.51 -119.51 135.12 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 56 L E E 30.69 13.75 26.72 40.88 118.97 -156.97 -106.89 130.51 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 57 A E E 8.61 23.22 19.84 42.56 127.47 -170.35 -124.63 139.37 0.73 99.25 0.02 0.68 0.03 0.00 0.00 0.01 0.00 99.25 0.02 58 E E E 47.71 12.98 22.67 35.96 125.50 -169.41 -121.08 139.27 7.07 92.46 0.47 5.91 0.71 0.19 0.21 0.15 0.00 92.60 0.23 59 E E E 62.13 14.33 18.26 32.55 124.17 -162.14 -116.51 138.16 23.59 73.46 2.94 18.71 3.84 1.40 1.60 1.06 0.00 72.60 0.77 60 Y C E 88.63 10.87 16.22 27.89 120.73 -164.28 -111.69 139.66 47.69 40.60 11.71 34.88 9.09 4.40 6.29 4.88 0.03 38.96 1.47 61 F C C 104.64 7.67 14.66 23.45 118.94 -155.21 -105.97 139.24 46.84 28.81 24.35 30.85 9.95 7.35 13.45 10.62 0.12 25.04 2.63 62 A C C 60.02 6.39 12.27 20.05 110.15 -123.26 -89.43 126.00 49.81 22.33 27.86 32.23 9.58 8.97 14.82 12.87 0.16 18.31 3.06 63 L C C 106.41 4.99 10.83 17.18 102.79 68.97 -84.02 -10.86 58.89 15.85 25.26 30.76 15.29 14.66 12.29 12.16 0.21 11.61 3.03 64 N C C 95.21 4.06 10.39 15.94 112.25 54.82 -104.09 113.55 73.01 11.45 15.54 40.71 17.98 15.46 7.85 7.33 0.07 7.64 2.96 65 K C C 148.95 2.84 10.03 14.53 101.85 -109.97 -79.33 -3.63 88.51 2.92 8.57 34.58 24.89 29.87 3.48 4.42 0.00 1.86 0.89 66 D C C 113.09 2.27 11.80 14.96 102.61 54.21 -87.77 14.68 91.84 3.61 4.54 35.12 28.19 29.13 1.09 3.18 0.00 2.48 0.81 67 R C C 132.87 5.12 12.05 18.71 114.66 93.82 -102.15 121.37 74.58 22.81 2.62 46.51 22.40 6.10 0.85 1.86 0.00 18.75 3.53 68 Y C C 112.37 9.48 11.76 22.24 115.04 -135.94 -92.63 133.07 65.34 33.29 1.37 51.98 9.45 2.87 0.55 0.94 0.00 30.12 4.09 69 K C E 88.97 9.99 15.21 26.05 119.39 -165.50 -107.52 136.16 55.81 42.99 1.20 41.53 10.02 3.57 0.39 0.83 0.00 41.71 1.95 70 A C E 48.44 10.27 19.17 29.55 108.21 -139.66 -96.26 48.00 56.12 42.88 1.01 22.65 28.99 3.84 0.17 0.71 0.00 43.12 0.52 71 M E E 40.17 17.11 17.64 34.58 135.08 5.63 -141.58 150.38 15.41 83.87 0.71 11.29 3.28 0.81 0.18 0.39 0.00 83.81 0.25 72 S E E 24.16 13.82 22.78 37.24 129.67 -164.77 -131.32 142.64 2.61 96.89 0.49 2.23 0.25 0.09 0.22 0.17 0.00 96.99 0.06 73 V E E 29.55 19.09 19.64 38.46 113.15 -128.49 -93.44 122.88 0.45 99.40 0.15 0.43 0.02 0.00 0.09 0.02 0.00 99.42 0.02 74 V E E 47.20 11.97 22.92 35.23 102.37 174.92 -100.70 -25.82 0.78 98.96 0.26 0.62 0.06 0.01 0.15 0.03 0.00 99.12 0.01 75 A E E 22.45 13.49 22.54 36.50 144.01 -4.29 -160.46 157.29 0.66 98.92 0.42 0.55 0.04 0.02 0.26 0.05 0.00 99.06 0.01 76 I E E 49.65 13.88 20.39 34.68 119.56 -133.47 -114.27 128.49 1.32 98.00 0.68 1.22 0.09 0.05 0.60 0.11 0.00 97.82 0.11 77 V E E 37.00 15.19 15.06 31.01 110.52 -135.39 -86.19 121.60 12.69 85.85 1.45 11.57 0.91 0.46 0.94 0.55 0.00 85.14 0.44 78 E E E 107.66 5.27 17.43 23.95 100.15 174.05 -93.47 -30.57 42.40 56.05 1.55 17.09 21.44 3.52 0.41 0.81 0.00 56.35 0.39 79 K E E 116.74 2.83 19.14 22.46 134.90 6.12 -147.75 148.50 32.08 66.15 1.77 22.06 7.42 2.47 0.61 1.01 0.00 65.89 0.53 80 V E E 68.74 14.18 10.64 24.60 121.19 -156.41 -117.80 130.74 28.47 69.83 1.69 25.09 2.27 0.91 0.90 0.78 0.00 68.47 1.57 81 F E E 111.89 4.74 13.97 20.38 120.26 -169.47 -116.40 134.62 38.04 60.21 1.75 32.77 3.61 1.30 1.02 0.85 0.00 58.15 2.29 82 R C C 150.69 5.02 10.35 17.43 113.62 -159.18 -100.84 120.66 67.20 28.02 4.78 49.38 11.65 5.63 1.58 3.13 0.00 27.04 1.59 83 D C C 101.72 3.12 11.07 15.69 112.66 -137.44 -98.86 118.18 83.18 9.44 7.38 49.32 20.71 13.43 1.74 5.56 0.00 8.09 1.15 84 T C C 90.04 4.39 8.42 14.61 111.37 -152.65 -92.02 116.89 79.74 4.53 15.73 39.17 21.70 19.64 2.63 12.74 0.01 2.98 1.13 85 E C C 135.86 2.70 8.58 13.13 111.52 -137.52 -91.09 121.01 76.89 6.05 17.06 44.38 16.41 16.60 3.15 13.88 0.01 4.09 1.49 86 Q C C 132.85 2.51 7.66 12.06 111.92 -146.45 -92.47 123.58 83.87 5.17 10.96 73.42 2.55 9.04 2.78 7.00 0.00 3.86 1.36 87 E C C 141.35 2.55 9.93 14.25 110.04 -138.04 -87.65 121.78 99.87 0.10 0.03 99.82 0.06 0.04 0.01 0.00 0.00 0.05 0.01