# 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 K C C 135.92 3.88 16.48 21.60 116.40 -150.75 -93.74 133.38 99.95 0.04 0.00 99.92 0.05 0.01 0.00 0.00 0.00 0.02 0.00 1 R C C 141.23 7.15 11.61 20.22 115.23 -142.91 -78.18 141.40 90.23 7.75 2.02 50.85 5.03 34.06 0.57 1.32 0.00 6.77 1.39 2 G C T 41.11 5.40 14.56 21.25 113.97 32.32 101.85 -161.45 79.68 19.33 0.99 23.03 17.85 38.99 0.10 0.94 0.00 18.43 0.66 3 S C C 52.72 7.75 14.49 23.45 120.68 132.66 -91.54 149.99 62.35 36.93 0.71 52.73 6.26 1.16 0.10 0.61 0.00 38.65 0.50 4 K E E 108.66 7.77 17.88 26.46 119.40 -135.37 -103.36 134.37 8.23 91.49 0.28 6.87 1.16 0.18 0.09 0.14 0.00 91.17 0.37 5 V E E 25.78 19.07 13.62 32.85 123.92 -165.00 -117.32 138.56 3.33 96.56 0.11 3.00 0.16 0.03 0.03 0.04 0.00 96.68 0.07 6 R E E 104.53 7.13 21.92 29.73 120.08 -156.21 -110.60 132.95 1.36 98.49 0.14 1.16 0.08 0.03 0.05 0.04 0.00 98.60 0.04 7 V E E 30.97 17.55 14.04 31.98 111.76 -132.97 -89.95 122.58 4.12 95.51 0.36 3.71 0.24 0.08 0.13 0.12 0.00 95.56 0.15 8 L E E 75.53 7.66 18.00 26.65 99.70 -173.54 -88.03 -28.78 44.64 54.38 0.98 30.50 12.45 1.77 0.17 0.64 0.00 53.92 0.54 9 R C C 93.11 8.36 14.06 23.66 119.65 37.70 -122.10 124.60 69.35 28.58 2.07 38.64 25.92 6.03 0.44 1.52 0.02 25.73 1.70 10 K C T 133.19 5.65 13.59 20.88 94.72 -154.97 -65.65 -26.99 85.05 10.19 4.76 27.78 27.94 30.51 0.68 3.97 0.01 7.60 1.50 11 E C T 133.06 2.62 15.60 18.54 97.49 58.51 -82.87 -7.40 89.74 4.40 5.86 20.34 32.46 37.32 0.80 5.06 0.00 2.69 1.33 12 S C C 32.27 11.86 11.08 23.91 114.45 86.23 -97.04 132.37 88.11 4.77 7.12 33.95 33.63 20.83 1.11 6.05 0.00 2.44 1.98 13 Y C T 124.50 7.29 16.05 24.54 94.95 -137.82 -70.94 -11.56 83.45 5.76 10.78 13.59 31.61 39.57 1.55 8.20 0.02 3.67 1.79 14 W C T 82.72 12.99 15.33 28.67 98.74 73.87 -83.07 -8.40 67.87 22.08 10.04 15.19 22.18 33.21 1.75 7.48 0.18 16.64 3.38 15 Y C E 78.55 12.13 14.01 26.86 108.41 85.59 -86.29 105.59 49.61 40.14 10.24 32.63 9.96 8.33 2.71 7.25 0.07 34.44 4.61 16 Q C E 111.57 5.83 18.22 24.72 100.52 -63.05 -91.55 18.31 53.71 43.31 2.98 30.83 17.26 6.27 1.09 1.78 0.01 41.46 1.28 17 E E E 84.24 8.42 16.36 25.96 124.56 118.36 -106.06 147.87 33.14 65.38 1.48 20.62 9.97 3.32 0.53 0.88 0.01 63.87 0.79 18 I E E 87.07 9.87 17.02 27.66 120.25 -130.09 -100.00 138.47 16.17 83.31 0.51 13.70 1.50 0.41 0.29 0.18 0.00 83.37 0.54 19 G E E 15.32 12.28 17.54 30.84 141.06 152.00 -159.84 174.36 8.26 91.37 0.37 6.19 1.32 0.43 0.21 0.13 0.00 91.46 0.27 20 T E E 60.21 8.05 21.67 30.43 124.51 -92.10 -112.44 142.12 5.68 93.90 0.42 4.53 0.53 0.14 0.34 0.10 0.00 94.02 0.32 21 V E E 32.71 18.36 15.28 33.34 111.09 -141.77 -91.59 124.01 7.51 90.24 2.26 4.93 1.80 0.73 1.40 0.86 0.00 89.98 0.30 22 A E E 32.41 10.62 18.10 29.88 130.17 -163.34 -129.37 152.21 7.13 90.19 2.68 4.74 1.66 0.76 1.69 0.95 0.01 89.81 0.39 23 T E E 65.82 8.65 17.20 26.89 124.62 -141.79 -116.18 140.46 8.56 89.30 2.14 6.42 1.34 0.58 1.32 0.68 0.00 89.34 0.33 24 V E E 55.31 10.05 11.76 23.43 121.75 -158.70 -115.18 136.36 13.69 84.45 1.87 11.38 1.73 0.62 1.64 0.51 0.00 82.71 1.40 25 D E E 89.69 4.15 11.22 17.12 113.14 -142.54 -94.75 125.69 48.75 49.53 1.72 42.78 3.27 1.14 0.81 0.71 0.00 50.44 0.85 26 T C E 99.35 3.29 9.09 13.99 103.44 -149.70 -92.63 6.52 55.15 39.02 5.83 16.28 15.18 26.88 1.36 3.90 0.05 34.38 1.98 27 S C T 95.57 0.86 10.27 10.97 96.83 35.15 -77.62 14.53 93.30 2.72 3.98 13.13 16.45 63.70 0.63 3.41 0.00 2.15 0.54 28 G C T 62.88 0.94 10.67 11.73 97.16 -83.43 82.09 3.31 95.86 1.94 2.20 17.89 32.50 45.26 0.14 2.37 0.00 1.51 0.33 29 I C C 87.17 4.77 8.10 15.10 117.84 123.07 -95.97 133.56 58.09 41.43 0.48 43.53 11.28 3.09 0.12 0.47 0.00 38.38 3.14 30 R E E 165.45 2.84 11.96 16.41 107.05 -148.25 -90.92 58.24 31.15 68.65 0.20 24.07 6.36 0.87 0.06 0.17 0.00 62.37 6.09 31 Y E E 110.90 6.09 13.33 21.07 123.68 110.76 -121.37 136.92 44.48 55.47 0.05 32.65 10.71 0.44 0.01 0.05 0.00 55.48 0.65 32 P E E 70.51 7.38 15.22 23.83 115.08 -108.66 -70.76 144.41 38.15 61.83 0.03 32.66 3.40 0.13 0.00 0.02 0.00 63.51 0.27 33 V E E 33.87 15.08 13.91 29.85 125.21 -161.83 -122.01 138.76 3.96 96.03 0.01 3.69 0.22 0.01 0.00 0.00 0.00 95.82 0.25 34 V E E 67.02 7.91 20.38 29.36 116.19 -142.72 -102.85 126.70 1.40 98.59 0.00 1.26 0.08 0.00 0.00 0.00 0.00 98.56 0.09 35 V E E 20.72 18.98 15.10 34.34 120.68 -166.67 -112.60 130.02 4.98 95.00 0.02 4.56 0.27 0.02 0.01 0.01 0.00 94.98 0.15 36 R E E 111.38 6.44 21.47 28.67 119.18 -157.52 -105.67 132.43 20.47 79.43 0.10 18.15 1.44 0.15 0.02 0.06 0.00 79.64 0.54 37 F C C 38.40 18.12 10.77 28.60 115.20 -142.58 -94.16 129.25 55.40 43.60 1.00 51.51 2.37 0.68 0.28 0.63 0.00 42.67 1.87 38 E C S 126.94 3.12 17.40 21.04 99.33 -162.08 -79.88 -26.62 77.64 21.04 1.32 25.41 39.47 12.76 0.16 1.21 0.00 19.87 1.12 39 K C S 136.31 2.56 16.50 19.41 126.25 10.67 -130.19 138.01 70.89 27.74 1.37 23.87 34.89 13.26 0.16 1.31 0.00 24.84 1.67 40 V C C 66.03 13.27 9.13 22.16 117.53 -158.34 -104.02 130.11 65.75 32.89 1.36 52.89 9.45 2.61 0.40 1.12 0.00 29.38 4.15 41 N C C 108.62 2.98 13.91 17.89 111.49 -170.61 -109.83 103.54 71.88 27.12 1.00 58.80 8.58 3.20 0.27 0.86 0.00 24.64 3.65 42 Y C C 118.41 7.95 8.78 17.99 116.88 139.74 -114.77 116.05 65.53 31.00 3.47 41.62 15.27 8.97 1.03 2.69 0.03 22.02 8.39 43 S C T 92.80 1.55 11.58 14.13 109.99 -109.58 -81.59 120.49 84.56 11.69 3.75 16.81 18.42 49.78 0.81 2.84 0.01 9.03 2.29 44 G C T 61.69 1.38 12.87 14.55 100.33 5.53 82.33 1.59 86.99 9.84 3.17 15.88 24.96 46.55 0.48 2.58 0.01 8.23 1.31 45 V C C 74.72 7.76 9.34 18.66 118.78 123.73 -100.02 135.36 55.97 41.67 2.36 39.94 11.16 3.23 1.19 1.49 0.02 27.83 15.13 46 N C C 90.64 4.96 14.20 20.47 111.55 -140.89 -91.66 117.57 66.02 29.77 4.21 54.00 6.60 3.75 1.97 2.42 0.01 24.19 7.07 47 T C C 66.83 11.23 11.57 23.30 98.71 -150.58 -83.03 -5.69 70.56 9.51 19.93 37.11 13.64 21.06 4.46 14.90 0.04 6.30 2.50 48 N C T 104.26 4.84 15.32 21.18 97.89 73.07 -80.39 -6.79 72.77 5.20 22.04 20.81 18.37 34.92 4.63 16.27 0.06 2.97 1.95 49 N C C 96.80 5.05 16.00 21.97 100.73 60.43 -94.75 9.68 72.04 6.43 21.53 30.62 18.14 24.91 4.10 16.33 0.04 3.51 2.36 50 F C C 55.48 15.59 10.19 25.74 120.64 101.77 -97.85 139.36 80.37 15.57 4.06 64.69 11.17 2.86 2.14 2.11 0.01 6.33 10.69 51 A C C 43.98 5.40 17.96 24.37 125.55 -151.20 -105.95 157.73 93.25 4.48 2.27 90.51 2.81 0.53 1.36 0.68 0.00 2.30 1.79 52 E H G 115.09 8.62 12.48 22.22 92.70 -110.30 -60.59 -32.35 6.28 0.23 93.49 1.00 0.78 4.22 6.14 87.63 0.00 0.21 0.01 53 S H G 89.10 1.53 16.47 17.64 92.18 61.80 -72.43 -13.93 5.80 0.34 93.86 0.77 0.68 4.13 5.27 88.80 0.00 0.34 0.01 54 E H G 69.17 10.63 12.52 24.29 95.65 63.33 -86.17 -7.19 6.37 0.36 93.26 1.39 0.92 3.54 3.68 90.10 0.00 0.36 0.01 55 L E E 44.85 16.65 9.19 25.32 118.88 88.92 -90.81 133.51 22.23 62.87 14.90 15.60 5.65 3.41 5.82 9.21 0.16 53.95 6.20 56 I E E 98.99 5.04 14.31 20.89 120.20 -157.62 -109.36 135.01 24.17 74.71 1.12 21.44 1.16 0.65 0.82 0.40 0.00 67.92 7.60 57 E C C 135.34 4.17 14.23 20.32 110.89 -114.71 -76.33 133.52 86.54 13.45 0.01 87.40 0.07 0.02 0.00 0.00 0.00 12.43 0.08