# 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 V C C 33.70 19.39 13.14 31.63 119.39 -150.32 -100.86 136.99 99.80 0.20 0.01 99.76 0.11 0.01 0.00 0.00 0.00 0.06 0.05 1 Q C C 119.47 2.60 19.87 22.55 121.08 -145.54 -93.70 148.68 99.33 0.53 0.14 98.86 0.21 0.39 0.04 0.03 0.00 0.16 0.30 2 R C T 145.71 7.16 12.77 21.58 110.39 -85.84 -60.76 134.94 99.33 0.37 0.29 0.45 2.09 97.00 0.02 0.19 0.00 0.20 0.06 3 G C T 46.56 3.68 17.31 21.88 96.75 21.96 88.84 -5.92 99.62 0.24 0.14 0.60 2.30 96.75 0.00 0.15 0.00 0.17 0.01 4 S C C 32.41 10.73 13.85 26.46 118.89 133.58 -72.00 148.00 92.72 7.25 0.02 91.84 0.91 0.05 0.00 0.02 0.00 7.01 0.17 5 K E E 110.53 7.01 20.59 28.54 118.45 -129.83 -99.06 133.83 3.39 96.60 0.01 3.42 0.12 0.01 0.00 0.01 0.00 95.62 0.83 6 V E E 10.77 22.45 14.48 36.98 130.35 -173.57 -126.88 147.18 2.43 97.55 0.02 2.25 0.13 0.02 0.00 0.01 0.00 97.51 0.06 7 K E E 91.07 7.22 24.14 31.79 117.69 -138.35 -103.40 132.27 2.35 97.56 0.09 2.09 0.18 0.05 0.02 0.04 0.00 97.53 0.09 8 I E E 20.53 20.69 13.95 34.79 110.42 -126.97 -84.17 122.02 11.72 88.00 0.28 10.88 0.84 0.16 0.08 0.16 0.00 87.35 0.54 9 L C C 77.20 7.58 19.76 28.32 98.05 -174.94 -84.28 -28.89 75.96 23.56 0.48 43.89 30.15 1.58 0.06 0.45 0.00 23.26 0.61 10 R C S 86.71 9.18 15.51 25.93 117.87 41.00 -125.05 116.32 86.55 11.47 1.98 32.01 50.13 5.23 0.47 1.35 0.03 8.87 1.91 11 P C T 84.83 7.47 14.32 23.34 93.74 -149.50 -64.98 -25.71 91.06 4.01 4.93 30.43 24.87 36.07 0.63 4.43 0.00 2.52 1.03 12 E C T 128.81 3.22 17.84 21.42 94.90 61.21 -84.07 -7.16 89.38 4.08 6.54 23.80 28.54 37.29 0.88 5.71 0.01 2.13 1.66 13 S C S 20.92 15.63 11.78 27.99 115.63 96.61 -85.80 137.41 83.43 6.04 10.53 30.28 36.71 16.79 2.14 7.60 0.02 2.41 4.06 14 Y C T 103.36 9.42 18.69 29.13 93.77 -136.84 -68.41 -17.18 80.04 2.33 17.64 7.81 19.93 52.75 2.70 14.10 0.03 1.30 1.38 15 W C T 47.22 18.12 16.35 34.23 96.90 64.48 -85.64 -8.89 78.40 5.80 15.80 8.74 16.51 53.29 2.74 12.50 0.08 3.88 2.25 16 Y C C 68.46 13.57 16.74 30.69 109.32 85.36 -82.94 105.83 64.79 19.17 16.04 26.65 17.04 22.90 3.41 11.84 0.17 11.80 6.19 17 N C C 97.17 6.28 20.56 27.34 95.87 -20.82 65.42 20.53 74.92 20.13 4.95 32.52 22.24 20.97 1.03 3.73 0.01 17.32 2.18 18 E C E 67.93 11.19 18.00 29.84 124.63 129.89 -103.29 147.35 53.04 44.95 2.01 36.83 12.36 4.50 0.46 1.64 0.00 42.38 1.83 19 V E E 66.20 11.69 20.00 31.85 120.96 -132.69 -103.80 137.19 19.49 80.43 0.07 17.64 1.36 0.14 0.02 0.04 0.00 80.10 0.70 20 G E E 9.64 15.69 18.99 35.13 141.64 155.00 -157.62 176.46 4.44 95.54 0.02 3.55 0.69 0.06 0.00 0.01 0.00 95.52 0.15 21 T E E 52.63 9.29 24.37 34.29 123.51 -94.80 -110.14 140.66 1.96 98.03 0.01 1.67 0.13 0.01 0.01 0.01 0.00 98.10 0.07 22 V E E 22.05 21.27 16.43 37.31 109.70 -130.23 -85.61 126.34 2.94 96.70 0.36 2.26 0.48 0.07 0.11 0.21 0.00 96.79 0.08 23 A E E 33.62 12.22 20.79 33.16 117.45 14.02 -120.21 150.62 3.60 96.01 0.39 2.51 0.76 0.14 0.09 0.21 0.00 96.20 0.09 24 S E E 42.10 10.11 20.91 31.65 131.48 -120.45 -135.42 145.80 3.83 95.91 0.26 3.14 0.41 0.10 0.07 0.13 0.00 95.98 0.16 25 V E E 56.16 13.78 15.33 29.39 119.93 -147.76 -113.00 130.57 14.38 85.37 0.25 12.40 2.02 0.35 0.09 0.17 0.00 83.57 1.40 26 D C C 58.17 9.84 12.61 23.87 113.50 -150.50 -95.92 122.35 62.82 36.90 0.28 55.36 4.93 0.85 0.06 0.23 0.00 37.15 1.41 27 Q C S 140.85 2.29 14.58 17.84 97.60 -166.92 -90.35 -7.17 93.09 6.69 0.22 42.31 47.64 3.30 0.03 0.24 0.00 5.80 0.69 28 T C S 72.94 4.75 10.50 17.28 114.97 99.41 -88.13 134.52 95.10 4.54 0.36 32.58 59.17 3.67 0.07 0.30 0.00 2.35 1.86 29 P C T 113.64 1.95 11.83 14.93 107.54 -105.26 -64.60 135.61 98.15 0.93 0.92 6.46 16.19 75.28 0.06 1.10 0.00 0.62 0.29 30 G C T 58.81 1.69 13.39 15.32 97.52 22.44 82.93 -2.35 97.88 1.43 0.69 10.25 15.01 72.46 0.04 0.89 0.00 1.11 0.24 31 V C C 49.81 12.26 7.45 20.02 113.76 117.22 -91.03 123.77 85.88 13.38 0.74 72.84 10.44 2.15 0.18 0.69 0.00 5.67 8.03 32 K C S 149.37 2.08 16.06 18.50 98.31 -169.03 -86.41 -29.37 90.21 9.52 0.27 39.01 50.23 2.09 0.06 0.23 0.00 5.97 2.42 33 Y C S 101.25 7.42 16.10 24.77 125.00 21.23 -132.04 134.91 91.36 8.56 0.07 11.56 79.07 1.18 0.01 0.06 0.00 7.47 0.66 34 P C C 56.96 10.64 17.47 28.68 114.52 -111.52 -68.68 145.00 83.80 16.16 0.04 78.11 4.36 0.24 0.00 0.04 0.00 16.71 0.54 35 V E E 18.59 19.31 16.17 35.84 123.58 -153.81 -117.92 136.03 5.11 94.88 0.01 4.66 0.37 0.03 0.00 0.01 0.00 94.41 0.52 36 I E E 56.76 10.32 23.84 34.77 116.69 -149.80 -105.11 126.47 0.93 99.07 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.04 0.08 37 V E E 10.24 22.55 17.54 40.16 120.89 -166.79 -112.53 129.74 2.66 97.34 0.00 2.52 0.10 0.01 0.00 0.00 0.00 97.27 0.11 38 R E E 90.26 8.91 24.73 33.97 119.25 -159.29 -107.90 131.39 15.20 84.76 0.04 13.55 1.10 0.10 0.01 0.03 0.00 84.74 0.47 39 F C C 21.14 21.69 12.65 33.92 119.58 -150.40 -96.40 138.72 52.07 47.28 0.65 48.41 2.34 0.56 0.15 0.45 0.00 46.60 1.50 40 D C S 91.84 4.11 20.45 24.92 98.93 -159.99 -87.19 -27.33 70.02 29.06 0.92 22.92 36.38 10.70 0.10 0.90 0.00 28.08 0.93 41 K C E 109.42 3.95 20.73 25.15 131.79 3.55 -144.94 147.29 54.78 44.07 1.15 24.17 22.10 10.55 0.14 1.11 0.00 40.63 1.30 42 V E E 52.60 17.84 11.82 28.62 122.32 -157.35 -117.20 132.20 46.17 52.81 1.02 36.91 7.65 1.89 0.30 0.77 0.00 49.52 2.97 43 N E E 78.34 6.05 18.14 25.14 119.78 -168.84 -116.55 129.96 44.68 54.57 0.75 35.60 6.85 1.95 0.21 0.62 0.00 50.80 3.97 44 Y C E 104.94 11.49 11.46 23.50 120.51 -166.25 -111.89 133.18 49.68 49.16 1.16 38.11 9.20 2.30 0.41 0.93 0.01 43.34 5.70 45 T C C 86.92 4.00 13.89 19.33 116.42 -152.46 -104.24 134.02 68.22 29.72 2.06 48.47 13.21 6.34 0.54 1.68 0.00 26.79 2.96 46 G C C 41.05 6.47 9.87 17.80 122.12 -142.78 -102.72 161.21 78.38 17.92 3.71 41.49 22.41 15.26 0.60 3.36 0.01 14.35 2.53 47 Y C T 161.33 3.03 9.09 13.94 113.74 -121.82 -100.42 127.89 72.12 20.27 7.61 20.76 25.27 28.27 1.20 6.11 0.11 12.78 5.50 48 S C T 99.93 0.84 10.28 11.09 102.38 -13.71 -50.21 57.88 88.90 3.69 7.41 12.88 23.37 52.29 0.80 7.02 0.01 2.28 1.35 49 G C T 64.16 0.98 10.39 11.46 99.31 -39.98 81.75 0.56 90.21 3.53 6.26 15.26 30.40 44.69 0.67 5.66 0.00 2.15 1.17 50 S C C 71.09 3.20 9.83 14.85 119.18 108.72 -99.09 142.99 74.82 20.34 4.85 34.25 27.95 14.03 1.06 3.91 0.03 12.76 6.00 51 A C C 77.62 4.11 11.66 17.30 110.50 -115.86 -79.47 132.33 68.76 26.26 4.98 38.79 18.33 12.78 1.10 4.09 0.03 19.50 5.39 52 S C C 61.28 7.12 12.58 21.00 120.13 -152.89 -101.84 147.97 69.35 27.51 3.13 40.77 16.26 13.13 0.60 2.68 0.01 23.53 3.02 53 G C E 33.05 9.35 14.44 24.53 122.94 -143.57 -153.68 170.77 55.59 42.68 1.73 34.64 15.41 7.16 0.35 1.56 0.01 38.14 2.74 54 V E E 69.71 10.51 15.16 26.48 120.93 -108.77 -108.54 136.17 34.98 64.03 0.99 27.48 5.17 1.41 0.53 0.65 0.00 55.28 9.49 55 N E E 71.72 10.98 16.23 27.76 116.15 -150.53 -99.02 130.12 45.32 53.68 1.00 38.34 4.78 1.39 0.41 0.70 0.00 50.12 4.25 56 T C C 60.33 12.07 16.06 28.42 113.14 -176.08 -108.94 98.52 66.45 30.41 3.13 42.29 15.57 9.71 0.77 2.50 0.01 26.25 2.89 57 N C C 63.45 11.73 16.68 28.86 115.40 127.52 -104.54 127.04 74.66 22.01 3.33 32.47 27.59 16.67 0.66 2.66 0.02 17.33 2.60 58 N C C 84.39 8.94 19.71 28.90 109.84 -154.83 -105.40 97.73 75.59 21.63 2.78 41.89 24.46 10.55 0.66 2.26 0.01 16.63 3.53 59 F C C 38.71 17.95 14.17 31.90 123.34 155.11 -113.43 142.08 68.33 30.20 1.47 57.25 7.65 1.99 0.69 0.91 0.00 17.98 13.52 60 A C C 33.79 7.40 20.51 28.96 122.75 -139.17 -103.65 153.31 83.10 14.44 2.46 79.70 3.39 0.97 0.86 1.49 0.00 9.42 4.17 61 L H G 79.66 13.55 13.93 27.47 91.71 -114.62 -60.65 -31.28 5.96 0.62 93.42 1.18 0.94 3.29 1.24 92.69 0.00 0.65 0.01 62 H H G 148.18 1.67 19.53 20.78 90.94 62.67 -72.06 -14.15 5.83 0.75 93.41 0.71 0.90 3.75 0.87 92.96 0.00 0.79 0.01 63 E H G 55.17 12.99 14.98 28.80 95.30 60.06 -90.36 -5.28 6.65 0.76 92.59 1.22 1.14 3.53 0.72 92.56 0.00 0.82 0.01 64 V E E 24.63 21.29 10.99 31.33 122.89 86.74 -104.78 138.75 24.41 75.24 0.35 21.11 3.83 0.21 0.11 0.20 0.00 73.54 1.00 65 Q E E 98.05 5.00 20.01 26.04 123.26 -164.77 -118.94 137.27 4.78 95.17 0.05 4.57 0.22 0.03 0.02 0.02 0.00 94.85 0.29 66 E E E 111.49 8.66 15.10 25.01 112.87 -116.47 -76.42 131.00 5.39 94.55 0.06 5.23 0.19 0.03 0.02 0.02 0.00 93.64 0.88 67 V C C 68.51 10.30 11.57 22.63 110.02 -166.87 -97.32 100.10 60.45 39.27 0.28 51.65 6.54 0.75 0.06 0.23 0.00 39.70 1.07 68 A C C 75.76 2.49 14.51 17.82 123.54 -82.64 -111.66 145.11 79.35 20.48 0.16 53.04 26.45 0.82 0.04 0.15 0.00 17.84 1.67 69 P C C 90.26 4.86 11.23 17.90 116.04 -100.80 -67.54 148.61 95.96 3.81 0.22 82.99 12.30 0.79 0.06 0.17 0.00 3.19 0.51 70 P C C 78.96 6.76 8.77 17.24 113.23 -103.69 -65.40 148.25 96.14 2.26 1.60 85.45 6.98 3.63 0.37 1.26 0.00 1.44 0.86 71 K C C 159.60 1.52 9.67 12.48 111.24 -109.15 -78.90 136.97 93.21 3.51 3.28 69.54 15.68 7.35 0.73 2.86 0.00 1.79 2.06 72 K C C 162.45 1.68 8.11 11.37 112.08 -108.11 -83.55 136.42 93.71 3.05 3.24 49.78 25.03 18.73 0.53 3.09 0.00 1.69 1.16 73 G C C 58.44 1.91 8.55 11.87 112.27 -82.39 -77.31 152.42 96.71 1.45 1.84 82.80 2.84 11.44 0.35 1.16 0.00 0.88 0.53 74 K C C 161.84 1.64 10.18 13.02 107.41 -96.15 -83.82 105.69 99.92 0.07 0.01 99.82 0.09 0.04 0.00 0.00 0.00 0.03 0.01