# 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 121.26 4.66 11.78 18.16 115.86 -164.60 -100.67 134.35 99.71 0.28 0.02 99.72 0.08 0.03 0.01 0.00 0.00 0.13 0.03 1 A C C 76.93 4.13 8.90 14.97 113.44 -140.32 -90.86 133.97 88.82 8.73 2.45 84.69 1.26 3.32 1.03 0.91 0.00 6.55 2.23 2 H C C 143.73 2.62 8.71 13.20 113.57 -155.60 -98.14 130.12 80.05 16.50 3.45 54.23 18.71 7.10 1.31 2.25 0.01 12.04 4.35 3 K C C 143.84 2.95 9.04 13.96 116.05 -140.82 -96.22 131.89 78.70 18.21 3.09 59.32 13.97 4.73 1.20 2.05 0.01 13.15 5.59 4 K C C 147.64 2.90 9.81 14.69 111.35 -135.05 -85.04 131.39 82.48 13.51 4.01 48.96 16.48 17.36 1.17 2.79 0.01 10.44 2.79 5 G C C 49.82 4.49 9.72 15.93 115.64 -126.41 -93.00 141.10 87.34 9.21 3.45 46.16 21.43 20.29 0.81 2.63 0.00 6.60 2.07 6 L C C 121.82 3.14 10.50 15.33 111.90 -133.98 -93.62 121.64 84.76 10.16 5.08 49.34 21.53 14.08 1.50 3.63 0.01 6.35 3.55 7 G C C 48.37 4.14 11.00 16.74 115.79 -63.12 -99.57 169.44 84.25 8.30 7.45 43.83 24.70 16.30 2.18 5.13 0.01 5.19 2.65 8 S C C 77.59 4.11 11.10 16.77 107.93 -83.32 -89.37 83.45 76.78 10.09 13.13 48.69 16.68 11.33 4.76 8.46 0.02 6.45 3.61 9 T C C 84.15 5.25 10.55 17.35 110.09 115.10 -92.96 114.84 72.45 10.11 17.44 43.28 16.11 13.46 6.44 10.81 0.03 6.55 3.31 10 R C C 161.79 3.36 11.55 16.47 103.25 -143.19 -84.61 8.36 72.85 8.39 18.76 32.33 20.00 22.03 6.76 10.83 0.06 5.21 2.77 11 N C C 99.70 4.97 12.08 18.39 104.33 69.16 -91.72 27.60 80.20 5.45 14.35 31.12 23.88 26.47 4.72 8.59 0.03 3.20 2.00 12 G C C 44.87 6.13 12.68 19.97 102.73 -105.34 76.45 7.29 84.80 5.26 9.94 41.18 25.01 19.25 2.71 6.88 0.01 2.98 1.98 13 R C C 126.36 6.53 12.95 20.94 116.89 121.90 -96.37 138.40 75.78 10.16 14.05 49.55 15.57 10.61 5.31 8.69 0.02 5.70 4.54 14 D C C 82.12 7.79 12.83 21.76 111.31 -133.39 -87.44 123.78 76.48 6.84 16.67 55.37 11.24 9.55 6.01 10.92 0.01 4.27 2.63 15 S C C 61.12 8.70 12.48 22.11 104.92 -160.63 -84.57 22.40 71.46 4.27 24.27 38.46 15.53 18.40 6.95 16.56 0.02 2.35 1.73 16 Q C C 125.42 3.82 16.20 20.85 101.91 69.95 -86.92 29.09 71.91 3.85 24.24 34.07 18.74 20.45 6.49 16.56 0.04 1.97 1.68 17 A C C 42.64 12.58 12.47 25.52 115.69 125.45 -79.74 142.50 76.21 4.61 19.17 47.67 17.97 11.15 4.57 14.31 0.00 2.81 1.52 18 K C C 109.21 8.26 17.82 26.84 115.22 -144.40 -94.81 134.31 76.42 13.67 9.91 52.73 16.08 7.84 2.51 7.46 0.00 11.00 2.38 19 R C C 102.76 12.98 18.57 31.06 118.71 -133.46 -102.08 134.80 61.02 36.51 2.47 49.30 8.91 2.47 0.83 1.74 0.00 32.94 3.81 20 L E E 45.01 16.77 18.66 34.98 121.33 -140.86 -101.00 142.14 40.23 59.43 0.34 35.22 3.96 0.56 0.11 0.23 0.00 58.01 1.91 21 G E E 12.91 14.79 22.31 36.81 143.07 130.70 -144.24 173.66 13.14 86.55 0.31 11.00 2.03 0.41 0.13 0.19 0.00 85.23 1.02 22 V E E 29.90 19.55 17.85 36.91 116.83 -77.13 -96.79 132.89 7.98 91.36 0.66 6.87 0.90 0.41 0.37 0.30 0.00 90.36 0.79 23 K E E 97.23 9.36 21.51 31.06 100.41 -174.53 -93.76 -27.87 16.86 81.65 1.49 9.75 5.64 1.86 0.68 0.64 0.01 80.65 0.76 24 R E E 85.34 10.85 19.02 30.40 133.84 17.06 -140.77 145.49 32.17 66.54 1.29 28.65 2.65 0.99 0.50 0.75 0.00 64.08 2.37 25 Y C C 90.87 12.14 15.42 28.11 126.17 -163.02 -117.84 147.76 73.80 19.30 6.90 69.33 2.52 2.25 0.65 5.91 0.00 17.42 1.92 26 E C T 126.51 5.92 15.67 22.77 101.20 -35.88 -3.90 87.36 91.17 1.24 7.60 0.45 3.35 88.01 0.17 7.13 0.00 0.78 0.10 27 G C T 53.63 3.19 16.67 20.61 95.09 -0.60 82.50 -1.73 92.51 0.37 7.13 0.65 4.03 87.77 0.08 7.18 0.00 0.27 0.03 28 Q C C 74.35 9.29 14.40 25.16 119.67 129.14 -83.28 145.66 92.92 7.05 0.03 84.64 8.19 0.12 0.00 0.03 0.00 6.77 0.25 29 V E E 84.67 7.07 20.97 28.80 116.24 -129.62 -92.64 132.03 5.42 94.58 0.00 5.68 0.10 0.00 0.00 0.00 0.00 92.44 1.77 30 V E E 10.21 23.28 12.25 35.45 124.91 -168.55 -119.02 141.36 0.91 99.09 0.00 1.01 0.00 0.00 0.00 0.00 0.00 97.63 1.35 31 R C C 132.20 3.40 24.00 27.42 121.91 -135.32 -93.68 151.15 51.00 48.99 0.01 52.64 0.26 0.01 0.00 0.00 0.00 46.09 0.98 32 A C T 52.99 12.73 15.05 28.14 109.68 -84.45 -58.97 134.25 99.34 0.56 0.09 0.05 1.18 98.42 0.00 0.05 0.00 0.26 0.03 33 G C T 39.50 6.04 20.76 27.77 95.91 24.17 89.34 -6.10 99.74 0.20 0.06 0.11 1.69 98.02 0.00 0.05 0.00 0.12 0.01 34 N C C 52.74 11.25 20.27 32.18 117.67 125.09 -77.70 143.86 87.32 12.62 0.06 83.91 3.07 0.10 0.01 0.06 0.00 12.17 0.69 35 I E E 41.89 17.23 21.20 38.03 110.48 -118.51 -78.93 123.36 2.03 97.96 0.00 2.13 0.04 0.00 0.00 0.00 0.00 97.06 0.77 36 L E E 9.67 22.80 22.31 44.89 100.36 176.80 -92.76 -33.40 2.36 97.64 0.00 1.24 1.07 0.02 0.00 0.00 0.00 97.65 0.01 37 V E E 6.63 22.60 23.25 45.68 138.23 3.80 -151.62 147.23 0.78 99.22 0.00 0.60 0.11 0.02 0.00 0.00 0.00 99.22 0.04 38 R E E 76.17 14.78 24.27 38.10 124.02 -159.26 -122.59 132.43 4.46 95.52 0.02 3.94 0.32 0.05 0.00 0.02 0.00 95.48 0.19 39 Q E E 31.66 19.13 16.93 35.56 113.58 -151.40 -98.88 124.28 32.30 67.43 0.27 28.20 2.86 0.58 0.06 0.22 0.00 66.78 1.30 40 R C T 125.67 8.07 17.93 26.84 112.48 -160.51 -95.36 131.40 76.42 22.54 1.04 25.01 20.54 32.29 0.10 1.09 0.00 19.34 1.63 41 G C S 51.43 3.14 18.08 21.46 99.69 13.09 84.30 -4.51 95.45 3.97 0.58 15.83 40.44 39.23 0.04 0.74 0.00 3.28 0.44 42 T C C 47.86 14.49 11.00 25.34 122.00 109.48 -94.90 144.52 93.01 6.26 0.73 75.60 14.66 2.58 0.13 0.74 0.00 4.11 2.19 43 R C C 167.92 2.67 19.34 22.59 97.19 -139.11 -82.55 -12.64 94.18 5.56 0.26 52.25 40.47 2.16 0.04 0.26 0.00 3.39 1.44 44 F C C 54.11 18.40 12.37 29.94 118.34 73.65 -95.99 133.33 82.84 16.94 0.22 52.88 29.97 1.27 0.06 0.20 0.00 8.46 7.16 45 K C C 122.48 4.97 22.44 28.19 115.96 -164.67 -116.69 120.63 88.98 10.99 0.04 84.93 4.36 0.14 0.01 0.03 0.00 8.58 1.94 46 P C C 50.77 17.96 13.28 30.19 115.31 -126.56 -68.53 146.29 89.12 10.56 0.32 83.93 4.35 1.19 0.09 0.29 0.00 7.05 3.10 47 G C C 25.59 9.17 17.49 27.48 130.62 -133.89 -98.48 -167.68 93.89 5.69 0.42 79.46 11.39 2.90 0.09 0.42 0.00 2.34 3.40 48 K C T 160.87 1.75 20.31 21.79 103.75 -67.94 -66.94 109.01 97.34 2.14 0.51 1.03 22.64 74.05 0.02 0.51 0.00 1.42 0.33 49 N C T 54.80 14.57 17.30 31.50 95.29 30.77 48.75 4.72 97.51 2.30 0.18 1.74 18.78 77.03 0.00 0.24 0.00 2.09 0.11 50 V E E 16.45 21.83 14.29 35.85 125.89 88.18 -113.75 139.44 9.22 90.77 0.01 7.73 1.07 0.04 0.00 0.01 0.00 90.72 0.43 51 G E E 19.02 8.96 24.14 33.73 142.26 166.75 -151.87 174.15 0.59 99.41 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.44 0.02 52 M E E 86.40 12.48 17.60 30.22 123.10 -102.11 -111.75 138.20 1.03 98.97 0.00 1.06 0.02 0.00 0.00 0.00 0.00 98.64 0.29 53 G C C 18.48 12.42 12.03 25.42 126.50 -144.27 -87.72 178.23 87.79 12.17 0.04 87.09 0.61 0.10 0.00 0.03 0.00 11.73 0.45 54 R C T 196.26 0.87 15.52 15.68 91.66 -87.14 -64.34 -22.42 96.90 0.84 2.26 0.70 9.35 86.22 0.03 2.94 0.00 0.60 0.17 55 D C T 94.43 3.51 16.04 20.23 94.35 50.54 -90.25 7.88 97.80 0.10 2.10 0.41 7.42 89.23 0.02 2.84 0.00 0.05 0.02 56 F C S 77.13 12.42 15.61 28.59 94.18 -108.21 70.83 22.68 95.44 2.16 2.40 17.62 58.83 17.79 0.07 3.44 0.00 1.95 0.31 57 T C C 20.61 13.59 20.77 35.55 120.48 141.73 -87.70 144.52 50.87 49.12 0.01 51.37 0.53 0.03 0.00 0.01 0.00 47.21 0.86 58 L E E 3.10 25.47 19.97 46.55 115.30 -125.97 -88.29 130.85 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.87 0.02 59 F E E 38.87 13.55 27.39 41.36 128.51 -170.35 -124.03 143.79 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 60 A E E 4.70 24.17 15.83 40.75 112.09 -117.51 -77.49 130.86 5.28 94.72 0.00 5.43 0.05 0.00 0.00 0.00 0.00 94.31 0.20 61 L C S 75.22 7.61 23.73 32.25 95.82 -163.04 -85.97 -19.21 90.29 9.63 0.07 20.95 66.50 2.37 0.00 0.09 0.00 9.84 0.24 62 V C S 51.74 7.85 21.84 30.71 135.73 32.22 -136.85 156.71 89.49 10.43 0.08 3.01 83.08 3.51 0.00 0.08 0.00 9.98 0.34 63 D C C 81.94 7.27 21.76 29.53 113.52 -96.27 -67.15 140.23 91.78 8.14 0.08 59.32 28.25 3.36 0.00 0.12 0.00 8.73 0.23 64 G E E 10.38 10.95 20.78 33.81 143.72 98.54 165.75 -173.19 12.28 87.71 0.01 11.26 1.04 0.04 0.00 0.01 0.00 87.17 0.48 65 V E E 45.42 9.48 24.53 35.31 123.09 -67.98 -114.36 137.44 0.48 99.52 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.49 0.04 66 V E E 5.64 25.19 15.42 41.36 118.25 -150.43 -104.23 129.95 0.39 99.61 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.61 0.00 67 E E E 67.68 8.22 25.87 34.50 123.29 -168.39 -117.33 136.89 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.61 0.00 68 F E E 36.52 20.80 14.48 34.70 120.73 -151.55 -107.41 134.69 0.91 99.08 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.15 0.02 69 Q E E 80.84 5.85 19.97 26.66 128.09 -175.48 -128.56 145.20 1.37 98.62 0.01 1.15 0.08 0.01 0.00 0.00 0.00 98.72 0.04 70 D E E 83.92 8.19 12.19 21.77 112.30 -126.48 -91.86 121.66 9.53 90.41 0.05 7.95 0.95 0.15 0.01 0.04 0.00 90.67 0.23 71 R E E 131.30 4.57 11.51 17.79 105.06 175.08 -106.76 20.31 41.84 57.20 0.95 28.50 8.78 4.54 0.13 0.86 0.00 56.55 0.64 72 G C T 52.01 1.71 11.71 13.98 118.81 -83.05 86.20 -155.79 76.20 20.40 3.40 11.15 25.09 41.16 0.22 3.40 0.01 17.82 1.15 73 R C T 200.32 0.60 10.67 10.70 97.07 -22.41 -74.37 -20.56 96.10 0.57 3.32 5.53 22.87 67.17 0.18 3.68 0.00 0.37 0.21 74 L C T 127.66 1.93 10.67 13.47 101.60 34.33 -94.70 2.32 95.90 1.60 2.51 6.45 24.02 65.10 0.13 2.81 0.00 1.17 0.33 75 G E E 29.11 6.09 13.60 21.25 125.99 -97.95 113.15 -174.69 43.50 56.08 0.43 28.36 9.41 5.53 0.04 0.44 0.00 55.54 0.68 76 R E E 94.86 11.29 13.84 25.87 123.66 -72.28 -112.20 140.85 14.87 85.12 0.02 13.45 0.69 0.06 0.00 0.01 0.00 85.60 0.18 77 Y E E 75.41 10.44 19.14 30.66 127.88 -165.22 -125.62 144.34 1.46 98.54 0.00 1.29 0.05 0.00 0.00 0.00 0.00 98.62 0.03 78 V E E 20.60 20.07 16.50 36.62 122.33 -153.71 -114.60 132.75 0.58 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 79 H E E 59.81 9.53 24.63 34.70 124.72 -167.63 -118.80 141.74 0.66 99.34 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.39 0.00 80 V E E 18.31 22.23 15.47 37.64 121.33 -155.02 -112.77 129.90 1.44 98.56 0.00 1.31 0.05 0.00 0.00 0.00 0.00 98.60 0.04 81 R E E 96.92 7.17 22.19 29.95 124.66 -172.10 -123.42 137.29 6.04 93.96 0.00 5.34 0.33 0.01 0.00 0.00 0.00 94.22 0.10 82 P E E 71.61 9.50 15.52 25.80 114.19 -108.06 -65.98 144.76 15.33 84.63 0.04 13.51 1.17 0.13 0.01 0.03 0.00 84.68 0.47 83 L C C 77.77 11.28 10.38 22.15 111.56 -120.91 -82.00 135.09 87.32 12.37 0.32 86.37 0.80 0.64 0.08 0.17 0.00 10.68 1.26 84 A C C 82.00 2.90 14.56 18.51 112.25 -123.02 -84.72 138.47 99.87 0.12 0.01 99.80 0.08 0.03 0.00 0.00 0.00 0.07 0.01