# 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 124.88 4.02 12.29 17.80 117.28 -152.96 -98.06 133.06 99.82 0.18 0.01 99.83 0.05 0.01 0.00 0.00 0.00 0.09 0.01 1 V C C 101.11 4.82 8.94 15.65 118.44 -149.82 -98.67 133.82 78.04 19.09 2.87 75.71 1.26 1.22 1.69 0.90 0.00 12.63 6.59 2 L C C 101.50 5.55 8.27 15.57 114.92 -132.76 -90.56 132.58 73.76 19.34 6.90 61.56 7.54 3.75 3.02 4.10 0.01 15.47 4.55 3 Q C C 135.43 2.38 10.89 14.87 112.57 -136.01 -87.68 134.74 68.36 15.26 16.39 49.01 9.96 9.46 4.09 12.45 0.01 12.32 2.70 4 N C C 102.22 5.18 10.00 16.72 113.24 -140.06 -100.85 122.22 71.40 8.67 19.94 33.54 18.78 20.53 3.80 15.31 0.03 6.03 1.99 5 D C C 105.04 3.74 12.40 17.56 104.66 128.76 -92.80 46.44 73.79 8.98 17.23 41.17 17.01 16.45 3.58 13.46 0.02 6.07 2.23 6 I C C 80.30 8.05 10.15 19.77 116.88 129.68 -100.00 131.28 74.53 18.45 7.02 48.67 19.94 5.00 3.59 3.60 0.05 9.34 9.80 7 D C C 76.19 5.93 12.34 20.03 109.64 -139.52 -93.29 111.91 87.62 9.93 2.45 79.94 4.51 2.66 1.11 1.28 0.00 6.03 4.46 8 L C T 99.45 7.54 11.05 20.17 94.96 -163.71 -71.67 -17.77 96.38 1.48 2.15 12.21 18.68 65.58 0.50 1.58 0.00 0.86 0.59 9 L C T 111.98 3.76 13.42 18.00 96.03 59.54 -81.84 -17.40 96.76 1.48 1.76 5.92 27.91 63.23 0.29 1.27 0.00 0.91 0.46 10 N C S 101.67 3.36 13.33 17.90 110.00 39.24 -119.45 83.56 97.91 1.89 0.20 23.33 74.20 0.70 0.05 0.10 0.00 0.65 0.97 11 P C C 45.81 12.10 7.93 20.58 118.70 -161.09 -71.42 150.46 99.35 0.51 0.13 93.60 5.56 0.25 0.08 0.03 0.00 0.19 0.29 12 P C C 69.75 3.10 13.51 17.78 114.33 -103.39 -64.51 151.67 98.03 0.81 1.17 96.94 0.88 0.31 0.91 0.10 0.00 0.18 0.68 13 A H H 81.17 2.19 11.01 14.54 92.56 -109.45 -57.98 -38.56 8.72 0.11 91.17 2.90 1.79 4.45 85.94 4.82 0.02 0.05 0.05 14 E H H 133.72 1.14 12.73 13.48 92.18 53.48 -65.79 -37.67 6.10 0.18 93.73 2.01 0.90 3.43 87.75 5.72 0.02 0.12 0.04 15 L H H 71.39 4.68 10.95 17.56 92.90 49.19 -67.76 -38.65 4.09 0.24 95.67 1.78 0.63 1.93 89.10 6.32 0.01 0.21 0.03 16 E H H 87.10 5.16 11.55 18.53 92.45 53.64 -64.50 -40.02 5.23 0.27 94.50 2.48 0.78 2.28 90.48 3.72 0.01 0.20 0.05 17 K H H 130.72 1.68 13.76 15.54 92.77 51.32 -66.63 -36.95 12.47 0.35 87.18 3.36 1.36 7.75 83.06 4.11 0.03 0.23 0.09 18 L H H 96.68 2.89 13.01 16.85 94.07 51.61 -70.32 -34.25 21.14 0.38 78.48 6.16 2.73 12.01 74.60 4.12 0.03 0.20 0.15 19 K H H 114.61 5.02 12.90 19.18 95.37 57.32 -70.57 -30.10 37.00 1.12 61.88 16.89 6.18 13.96 58.03 3.91 0.03 0.54 0.46 20 H C H 105.28 5.49 12.10 19.03 99.52 56.21 -83.63 -4.44 53.66 2.51 43.83 28.93 7.97 16.12 40.65 4.07 0.03 1.36 0.88 21 K C C 123.26 3.93 13.08 18.40 104.48 85.83 -78.36 27.06 58.57 4.23 37.21 38.49 9.11 10.06 34.05 4.46 0.02 2.54 1.27 22 K C C 119.38 5.88 12.03 19.25 103.83 67.44 -77.72 14.32 54.05 5.64 40.31 36.02 8.44 9.26 33.76 7.17 0.03 3.96 1.36 23 K C C 125.25 5.14 13.17 19.73 104.06 70.17 -83.57 -2.09 52.64 8.77 38.58 33.97 8.95 9.48 30.54 8.59 0.06 6.76 1.64 24 R C C 134.68 5.85 13.93 21.01 108.35 70.30 -87.23 104.37 49.71 15.45 34.84 32.26 8.73 8.79 26.61 8.76 0.11 12.23 2.52 25 L C C 77.56 10.68 12.44 23.61 107.03 67.53 -84.44 83.32 50.15 20.76 29.09 34.88 8.21 7.05 22.84 6.98 0.13 15.85 4.07 26 V C C 77.15 8.19 13.59 22.83 109.41 81.72 -92.23 95.71 62.60 17.35 20.05 40.97 11.77 9.27 16.50 4.76 0.09 13.60 3.04 27 Q C C 115.61 5.40 13.95 20.59 104.63 -123.50 -84.58 30.34 75.31 12.20 12.49 43.97 18.40 13.20 8.29 4.52 0.06 8.90 2.67 28 S C C 44.38 8.66 11.85 22.07 120.24 74.33 -116.97 142.02 92.94 6.01 1.05 62.69 27.84 2.68 0.42 0.63 0.00 3.37 2.38 29 P C T 93.08 4.61 13.94 19.98 96.41 -112.65 -67.13 -17.93 95.60 1.02 3.38 18.33 17.12 60.03 0.47 3.04 0.00 0.67 0.33 30 N C T 103.18 5.02 15.33 21.45 98.55 49.42 -93.85 8.78 94.70 2.14 3.16 15.10 19.62 59.86 0.38 2.98 0.00 1.56 0.50 31 S C C 31.21 13.58 13.74 28.03 123.51 98.10 -111.92 147.38 78.75 18.25 3.00 51.10 18.68 9.30 0.46 2.92 0.00 15.24 2.30 32 F C C 72.87 11.66 18.95 31.09 126.07 -168.21 -126.22 146.07 59.06 40.34 0.60 43.65 12.70 2.42 0.11 0.59 0.00 39.09 1.44 33 F E E 62.79 15.82 18.14 33.59 123.86 -146.38 -112.31 140.28 16.09 83.85 0.06 14.20 1.36 0.13 0.01 0.04 0.00 83.63 0.63 34 M E E 42.36 14.82 19.14 34.25 119.26 -161.23 -114.06 137.28 5.09 94.90 0.01 4.22 0.58 0.03 0.00 0.01 0.00 95.04 0.11 35 D E E 67.57 10.08 22.06 32.05 114.18 -128.66 -93.46 123.08 1.82 98.18 0.00 1.53 0.15 0.01 0.00 0.00 0.00 98.27 0.03 36 V E E 17.54 19.58 15.87 35.61 123.48 -173.37 -121.92 135.80 2.22 97.78 0.00 2.08 0.06 0.00 0.00 0.00 0.00 97.75 0.10 37 K E E 111.39 5.84 21.87 28.45 116.97 -144.46 -100.69 130.07 9.93 90.05 0.02 9.25 0.49 0.04 0.01 0.01 0.00 89.36 0.85 38 C C C 16.38 19.22 10.40 29.35 114.18 -132.73 -84.88 134.56 86.28 13.66 0.06 84.52 1.60 0.18 0.01 0.05 0.00 12.84 0.81 39 Q C T 127.25 3.37 16.43 20.83 108.85 -104.38 -63.83 130.46 97.23 1.43 1.33 1.43 12.94 82.79 0.04 1.50 0.00 1.08 0.23 40 G C T 60.78 1.45 15.57 16.46 95.56 15.43 84.95 -2.68 97.91 0.83 1.26 0.74 12.50 84.66 0.03 1.39 0.00 0.55 0.13 41 C C S 37.06 13.06 8.78 22.16 129.43 88.33 -122.76 155.75 84.21 13.52 2.27 34.85 38.00 12.07 0.28 2.31 0.01 8.18 4.30 42 F C S 158.13 2.24 15.73 18.51 96.43 -139.49 -82.28 -13.82 87.60 11.95 0.45 23.52 57.74 6.78 0.05 0.45 0.00 10.28 1.17 43 N C S 84.77 5.60 16.68 23.41 119.33 75.70 -93.47 140.74 74.37 25.37 0.26 31.83 38.85 4.10 0.02 0.27 0.00 24.10 0.82 44 I E E 59.26 14.70 14.31 29.17 118.36 -144.59 -104.59 131.21 35.17 64.80 0.02 33.70 0.78 0.05 0.00 0.01 0.00 65.11 0.35 45 T E E 40.96 11.51 19.28 31.73 122.64 -168.71 -116.08 138.33 2.83 97.16 0.00 2.62 0.12 0.01 0.00 0.00 0.00 97.18 0.07 46 T E E 40.67 14.06 20.00 34.34 120.51 -146.33 -108.38 131.25 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.01 47 V E E 23.22 16.59 19.74 36.85 120.48 -168.10 -117.02 130.37 0.67 99.33 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 48 F E E 49.47 14.16 19.74 34.42 121.07 -164.71 -114.06 133.18 4.13 95.85 0.02 3.43 0.35 0.04 0.00 0.01 0.00 96.02 0.14 49 S E E 32.69 12.58 17.20 30.40 126.54 -162.57 -124.27 156.82 34.90 63.99 1.11 23.60 8.13 3.61 0.14 0.98 0.00 62.92 0.61 50 H C T 112.32 7.36 17.95 25.51 101.00 -78.82 -71.38 -11.55 79.72 16.97 3.30 22.29 25.11 32.92 0.29 3.19 0.00 14.96 1.22 51 S C T 61.59 7.55 16.97 24.91 100.88 1.58 -90.30 -0.99 95.07 2.09 2.84 13.93 35.31 45.56 0.20 3.08 0.00 1.50 0.42 52 Q C S 81.09 9.67 17.73 27.82 117.56 -23.36 -111.52 134.61 81.58 16.52 1.89 18.57 32.69 30.74 0.13 1.93 0.00 15.09 0.85 53 T E E 35.20 14.72 17.70 32.86 119.55 -154.80 -109.81 133.00 28.15 71.60 0.25 21.83 4.75 1.16 0.03 0.24 0.00 71.53 0.46 54 V E E 32.73 13.87 21.75 36.30 120.92 -160.11 -111.48 131.43 3.77 96.22 0.01 3.42 0.16 0.01 0.00 0.00 0.00 96.30 0.10 55 V E E 11.14 20.27 20.27 40.87 119.92 -162.45 -113.10 128.49 0.58 99.42 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.02 56 V E E 39.19 11.50 24.09 36.32 119.87 -162.80 -111.36 129.93 1.75 98.24 0.00 1.65 0.07 0.01 0.00 0.00 0.00 98.08 0.19 57 C C C 9.88 20.15 13.92 34.66 114.32 -137.26 -83.69 130.26 69.18 30.79 0.04 66.88 1.17 0.11 0.01 0.03 0.00 31.11 0.70 58 P C T 75.48 7.35 19.24 27.23 102.26 -111.42 -63.51 79.07 97.23 1.28 1.49 1.69 13.86 81.50 0.04 1.72 0.00 1.00 0.19 59 G C T 54.24 2.73 18.62 21.53 97.39 29.40 63.23 -3.56 97.88 0.76 1.37 1.12 14.73 81.89 0.03 1.55 0.00 0.52 0.16 60 C C S 36.92 15.79 11.04 26.06 123.63 48.06 -123.22 142.31 82.58 15.02 2.40 31.84 32.51 18.50 0.25 2.71 0.00 11.03 3.14 61 Q C S 138.52 2.41 18.84 21.84 95.38 -145.24 -82.11 -6.76 88.01 11.42 0.57 21.22 55.52 10.71 0.07 0.57 0.00 11.15 0.75 62 T C E 63.59 7.60 19.01 27.54 121.45 97.52 -97.69 141.66 56.80 42.92 0.27 24.22 28.60 4.00 0.03 0.29 0.00 41.86 1.00 63 V E E 48.67 15.50 17.78 33.34 110.67 -122.74 -82.42 124.07 9.05 90.92 0.03 8.58 0.46 0.05 0.01 0.02 0.00 90.16 0.72 64 L E E 22.10 17.87 20.67 38.65 98.81 174.32 -91.42 -27.54 6.27 93.73 0.01 4.49 1.59 0.06 0.00 0.01 0.00 93.78 0.08 65 C E E 7.90 21.59 17.13 39.03 138.20 10.58 -147.61 151.60 0.55 99.45 0.00 0.48 0.03 0.00 0.00 0.00 0.00 99.48 0.02 66 Q E E 88.38 6.67 24.48 31.73 124.47 -158.07 -123.18 135.91 0.79 99.21 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.25 0.01 67 P E E 46.07 17.43 12.19 28.99 113.57 -113.07 -69.23 138.50 4.49 95.50 0.01 4.04 0.15 0.01 0.00 0.00 0.00 95.73 0.06 68 T E E 73.50 5.34 15.03 22.16 122.27 176.51 -136.04 123.24 17.68 82.08 0.23 13.40 3.67 0.96 0.06 0.22 0.00 79.21 2.48 69 G C T 65.66 0.93 15.36 14.99 94.37 -18.82 59.65 30.74 99.06 0.50 0.44 0.62 14.36 84.06 0.00 0.53 0.00 0.35 0.07 70 G C T 48.35 6.55 13.64 21.13 94.83 -48.60 82.42 1.91 99.39 0.20 0.41 0.77 14.63 83.94 0.01 0.48 0.00 0.14 0.03 71 K E E 109.42 4.22 19.02 24.57 128.29 91.62 -121.09 147.08 13.28 86.65 0.07 8.96 4.19 0.62 0.02 0.06 0.00 85.07 1.09 72 A E E 18.76 21.20 12.19 32.83 117.01 -124.76 -83.68 135.59 5.37 94.62 0.01 4.93 0.19 0.01 0.00 0.00 0.00 94.80 0.07 73 R E E 110.46 5.63 24.04 30.38 128.47 -173.08 -127.83 144.17 2.29 97.70 0.00 2.11 0.09 0.01 0.00 0.00 0.00 97.71 0.07 74 L E E 55.12 17.99 13.72 30.93 113.56 -112.83 -75.60 136.09 7.55 92.40 0.05 7.41 0.27 0.03 0.02 0.02 0.00 90.85 1.40 75 T C C 49.24 10.34 14.89 26.37 119.33 -136.45 -88.26 154.29 80.83 18.34 0.83 75.51 3.29 1.28 0.14 0.71 0.00 18.23 0.85 76 E C T 155.26 1.73 16.06 18.31 109.99 -90.37 -64.95 136.72 84.76 10.38 4.86 8.95 14.55 61.38 0.46 4.75 0.00 8.88 1.03 77 G C T 56.86 2.09 16.79 19.15 96.57 23.18 84.25 -1.97 89.64 5.74 4.62 12.75 15.57 61.11 0.41 4.70 0.00 4.82 0.62 78 C C C 28.43 18.86 9.69 27.36 111.44 127.14 -85.17 124.08 85.97 8.05 5.98 66.37 12.50 6.25 0.86 6.12 0.00 6.05 1.84 79 S C C 60.60 7.64 18.00 26.27 112.88 114.48 -100.58 119.57 81.60 15.04 3.36 55.56 18.04 7.94 0.72 3.10 0.00 11.25 3.40 80 F C C 86.60 13.46 14.00 27.40 125.48 -170.19 -117.54 145.20 68.78 29.39 1.84 47.99 16.34 4.96 0.39 1.72 0.00 25.68 2.92 81 R C C 132.77 6.61 14.90 23.17 124.01 -162.34 -116.20 139.39 51.31 47.65 1.04 44.41 4.67 1.35 0.36 0.78 0.00 43.02 5.41 82 R C C 136.29 7.03 11.84 20.51 119.01 -141.04 -99.85 136.60 49.49 49.35 1.16 43.42 3.04 1.11 0.56 0.71 0.00 39.22 11.94 83 K C C 139.11 4.31 10.01 16.30 112.81 -120.97 -83.70 133.57 80.06 17.59 2.34 52.22 14.07 13.99 0.57 1.93 0.00 14.79 2.42 84 G C C 57.15 1.91 10.57 13.65 112.49 18.95 97.30 -147.17 94.04 4.75 1.21 69.65 7.48 16.77 0.21 1.05 0.00 3.94 0.90 85 D C C 117.35 2.12 11.34 14.73 106.28 -62.23 -88.03 85.32 99.84 0.14 0.02 99.60 0.20 0.10 0.00 0.00 0.00 0.08 0.01