# 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 H C C 136.10 3.22 10.26 15.39 118.07 -167.55 -104.92 132.12 99.93 0.06 0.01 99.86 0.08 0.02 0.00 0.00 0.00 0.02 0.01 1 K C C 153.55 1.97 8.84 12.50 115.33 -145.53 -94.66 132.97 86.28 4.18 9.54 81.40 1.36 5.10 4.61 3.31 0.00 2.92 1.29 2 H C C 140.54 3.37 6.99 12.28 115.56 -141.94 -96.27 134.27 80.14 9.26 10.59 58.39 12.23 9.28 4.74 6.00 0.00 7.23 2.13 3 K C C 148.27 2.12 9.14 12.90 117.79 -156.74 -103.30 137.37 75.90 13.64 10.46 57.12 11.61 6.90 4.91 5.66 0.01 11.56 2.23 4 A C C 84.53 3.09 8.58 13.64 115.84 -131.42 -90.27 134.71 72.96 18.53 8.51 55.80 11.71 5.16 5.15 3.57 0.01 15.62 2.97 5 V C C 87.03 5.72 8.68 16.28 120.05 -160.53 -110.58 136.10 73.65 20.80 5.55 60.86 9.46 2.46 4.20 1.72 0.01 18.98 2.31 6 K C C 158.33 1.78 12.50 15.30 113.49 -129.53 -86.26 130.24 69.47 24.58 5.96 59.12 6.31 2.71 4.36 1.83 0.00 23.34 2.32 7 L C C 85.45 9.30 8.43 18.72 120.51 -161.72 -106.36 140.12 63.89 27.98 8.13 55.33 5.23 2.21 5.84 2.48 0.00 26.22 2.69 8 A C C 68.84 3.96 14.47 19.54 115.24 -133.32 -86.00 135.89 59.18 31.73 9.09 50.83 5.43 2.48 6.03 3.24 0.01 28.68 3.29 9 V C C 76.04 10.16 10.81 21.71 114.74 -144.74 -98.83 129.73 35.59 29.65 34.76 28.46 5.16 4.31 10.97 22.00 0.02 27.08 2.00 10 L H G 99.77 5.58 14.72 21.41 100.81 -167.05 -88.61 -27.83 31.06 26.94 41.99 15.36 8.82 11.09 8.17 30.86 0.06 24.42 1.22 11 S H G 54.90 6.18 17.14 24.41 130.44 -0.13 -140.33 146.79 32.93 27.95 39.12 16.49 7.90 11.49 6.05 30.62 0.02 26.59 0.84 12 Y C C 93.44 12.39 13.11 26.03 124.70 -160.45 -119.62 141.01 53.40 35.90 10.71 39.85 9.72 4.27 2.92 7.11 0.01 34.84 1.28 13 Y E E 75.17 10.22 13.50 25.28 128.90 -166.22 -122.91 150.38 21.87 77.86 0.27 19.46 2.17 0.27 0.13 0.16 0.00 76.53 1.29 14 K E E 122.62 4.49 16.01 22.10 120.49 -141.09 -108.11 138.02 5.49 94.48 0.03 5.24 0.32 0.03 0.01 0.02 0.00 94.16 0.21 15 V E E 61.72 10.64 9.01 20.65 122.41 -148.46 -110.73 138.51 3.17 96.81 0.02 3.14 0.11 0.01 0.02 0.01 0.00 89.07 7.65 16 D C C 66.34 3.35 11.57 16.53 123.90 -131.69 -83.31 175.31 96.79 3.19 0.02 97.22 0.21 0.04 0.00 0.01 0.00 2.14 0.38 17 A C T 105.25 0.53 9.22 9.80 89.86 -90.63 -63.56 -21.21 99.47 0.23 0.29 0.34 2.60 96.64 0.01 0.23 0.00 0.16 0.03 18 E C T 158.93 0.46 11.06 9.99 92.88 53.51 -88.57 0.82 99.68 0.05 0.27 0.19 2.42 97.13 0.01 0.22 0.00 0.02 0.01 19 G C S 39.06 6.70 9.60 18.04 95.90 -106.38 84.15 7.57 99.56 0.22 0.22 15.91 82.87 0.86 0.02 0.16 0.00 0.10 0.08 20 K C C 118.36 2.28 14.78 17.91 118.88 135.92 -85.84 143.63 95.63 4.30 0.07 93.11 2.91 0.13 0.03 0.03 0.00 2.02 1.77 21 V E E 56.29 13.90 8.98 22.96 110.89 -114.87 -78.87 127.89 1.99 98.00 0.01 1.96 0.08 0.01 0.01 0.00 0.00 88.42 9.52 22 T E E 81.69 3.55 16.60 21.02 104.00 174.00 -103.20 -26.03 11.05 88.62 0.33 8.37 2.60 0.46 0.06 0.24 0.00 87.99 0.27 23 K E E 103.64 6.29 16.09 23.49 123.50 6.05 -143.13 124.53 17.00 82.74 0.27 12.25 4.73 0.84 0.04 0.23 0.00 81.16 0.75 24 L E E 71.36 11.86 13.30 25.68 110.66 -168.01 -98.07 108.47 48.08 51.41 0.52 41.93 4.17 0.73 0.10 0.35 0.00 52.16 0.55 25 R E E 105.44 10.71 15.62 26.59 120.40 6.89 -99.55 136.18 45.05 54.70 0.24 39.24 3.97 0.56 0.05 0.18 0.00 55.07 0.93 26 R E E 111.76 8.45 16.65 26.32 125.73 -168.97 -118.51 140.99 21.63 78.19 0.18 19.02 1.97 0.34 0.05 0.12 0.00 76.97 1.53 27 E E E 109.35 7.10 16.39 24.91 119.29 -134.23 -97.59 137.49 12.94 86.93 0.13 11.35 0.80 0.11 0.11 0.06 0.00 75.34 12.23 28 C C C 25.31 15.44 8.65 24.15 115.77 -123.00 -79.90 139.68 77.76 22.16 0.08 73.88 2.24 0.30 0.02 0.06 0.00 22.36 1.15 29 S C S 90.71 1.60 15.50 17.18 95.05 -134.17 -75.22 -17.31 96.14 3.68 0.18 20.29 61.41 14.23 0.01 0.22 0.00 3.51 0.34 30 N C S 102.88 3.26 11.84 16.56 119.39 61.26 -107.83 137.29 97.02 2.56 0.43 14.50 68.29 14.35 0.03 0.44 0.00 1.79 0.59 31 P C T 96.64 3.68 12.25 17.40 108.52 -78.40 -69.71 137.42 97.56 1.20 1.24 25.33 28.14 43.87 0.08 1.51 0.00 0.78 0.29 32 T C C 90.64 3.99 14.53 19.48 104.60 19.80 -79.74 66.19 96.81 2.31 0.88 43.14 16.86 36.77 0.08 0.98 0.00 1.80 0.38 33 G C C 26.60 9.68 15.40 26.13 101.82 -91.55 81.21 11.45 85.69 13.36 0.95 59.44 15.94 9.36 0.10 1.11 0.00 13.07 0.98 34 V E E 34.97 13.08 16.00 30.41 120.98 135.89 -104.41 138.36 28.34 71.62 0.04 26.02 1.50 0.10 0.01 0.03 0.00 70.63 1.71 35 F E E 43.39 13.26 20.27 34.38 127.35 -159.91 -117.63 145.73 4.69 95.30 0.01 4.53 0.17 0.01 0.00 0.00 0.00 94.15 1.13 36 L E E 36.06 15.82 18.68 34.77 117.74 -127.49 -94.75 136.78 5.54 94.45 0.00 5.39 0.15 0.01 0.00 0.00 0.00 94.34 0.10 37 A E E 19.87 13.02 17.74 32.16 130.98 -174.80 -127.76 155.63 2.32 97.67 0.00 2.23 0.11 0.01 0.00 0.00 0.00 97.59 0.07 38 N E E 87.02 7.76 15.45 24.55 115.86 -128.58 -101.62 130.52 3.18 96.81 0.02 2.67 0.34 0.04 0.00 0.01 0.00 96.59 0.35 39 H E E 82.49 8.50 10.70 20.82 121.04 174.68 -131.07 124.26 32.48 67.43 0.09 28.41 2.82 0.32 0.02 0.07 0.00 67.75 0.61 40 K C T 174.17 0.74 13.37 13.27 98.82 -40.59 51.92 -15.30 98.79 1.00 0.21 1.48 33.10 64.28 0.00 0.24 0.00 0.82 0.08 41 D C T 127.17 1.42 12.50 14.52 96.35 -30.17 -63.20 12.52 99.25 0.59 0.16 1.44 32.60 65.23 0.00 0.18 0.00 0.49 0.04 42 R E E 101.56 6.85 13.31 22.04 129.55 91.26 -122.15 148.89 22.30 77.67 0.03 17.75 3.45 0.21 0.00 0.02 0.00 78.25 0.31 43 L E E 55.05 12.12 14.86 28.28 118.78 -141.09 -105.96 131.44 1.81 98.19 0.00 1.59 0.07 0.00 0.00 0.00 0.00 98.29 0.05 44 Y E E 59.64 10.91 18.93 31.32 129.74 -174.52 -129.90 146.10 1.15 98.85 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.87 0.08 45 C E E 26.15 15.23 15.59 31.61 123.07 -154.46 -116.72 139.55 19.40 80.56 0.04 16.85 1.54 0.13 0.00 0.03 0.00 81.03 0.42 46 G C T 30.60 8.46 18.95 27.70 116.99 -13.39 66.29 -150.33 83.10 7.40 9.51 8.32 24.14 50.52 0.89 8.94 0.01 6.31 0.87 47 K C T 139.09 3.94 18.97 23.69 93.78 -23.88 -73.54 -21.85 87.72 2.48 9.80 3.89 20.53 63.12 1.07 8.98 0.01 1.77 0.64 48 C C T 43.06 12.97 14.37 27.86 98.96 50.42 -97.42 -2.00 80.13 11.07 8.79 9.40 16.88 53.57 1.52 7.77 0.03 9.58 1.26 49 H C E 89.19 12.08 15.60 27.67 110.59 73.17 -70.72 107.59 56.52 39.61 3.87 34.74 15.40 7.79 1.48 2.69 0.03 34.84 3.04 50 S E E 51.84 7.89 17.90 26.72 117.95 -120.42 -95.92 134.66 44.47 53.63 1.90 35.25 6.00 2.30 0.82 1.13 0.00 52.82 1.69 51 V E E 71.30 12.42 13.41 26.24 124.01 -164.44 -117.13 137.87 25.85 72.90 1.25 21.84 2.79 0.85 0.76 0.55 0.00 71.89 1.32 52 Y E E 118.25 7.05 14.93 23.50 124.20 -169.02 -121.22 140.31 14.89 83.99 1.12 12.92 1.26 0.54 0.86 0.42 0.00 82.78 1.23 53 K E E 128.51 5.67 12.99 20.46 118.32 -145.96 -104.62 131.75 17.30 81.60 1.10 14.88 1.45 0.65 0.83 0.44 0.00 80.21 1.54 54 V E E 80.51 7.36 9.58 18.56 119.30 -161.96 -109.79 134.02 36.68 62.15 1.17 30.82 3.85 1.37 0.75 0.55 0.00 60.29 2.36 55 N C C 127.98 1.50 11.04 13.65 113.46 -133.05 -92.77 123.89 66.56 32.82 0.63 63.14 1.17 1.10 0.33 0.23 0.00 32.17 1.86 56 A C C 75.35 5.14 10.10 16.81 108.30 -119.95 -75.90 130.41 99.85 0.15 0.01 99.82 0.05 0.02 0.00 0.00 0.00 0.10 0.00