# 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 N C C 104.40 4.94 13.81 20.17 110.70 -173.45 -102.01 103.13 99.88 0.10 0.02 99.69 0.14 0.09 0.00 0.00 0.00 0.05 0.02 1 S C C 72.52 5.54 10.71 17.88 107.23 166.18 -93.67 57.91 83.66 2.66 13.68 65.24 4.63 13.82 2.15 11.36 0.00 1.66 1.14 2 D C C 101.62 4.25 10.69 16.67 107.05 116.44 -87.99 58.51 75.47 4.98 19.55 36.16 22.02 18.16 2.29 16.78 0.01 2.89 1.69 3 S C C 71.06 5.16 12.76 19.44 109.81 105.82 -88.09 118.57 73.78 7.14 19.07 46.66 16.32 10.86 2.33 17.09 0.00 4.83 1.91 4 E C C 124.00 4.82 15.78 22.07 116.23 -131.27 -90.86 136.45 73.07 14.40 12.53 52.37 13.01 6.20 2.17 10.47 0.01 7.19 8.58 5 C C C 29.28 18.60 9.15 26.62 116.47 -115.24 -83.17 139.07 94.65 4.70 0.65 75.90 18.00 0.66 0.32 0.30 0.00 2.20 2.63 6 P C C 59.97 6.02 15.34 23.01 113.85 -105.45 -66.12 152.11 92.95 1.48 5.57 82.71 5.31 4.91 1.48 4.00 0.00 0.78 0.82 7 L C T 129.32 3.10 13.04 17.82 94.44 -107.81 -63.10 -25.20 73.24 1.18 25.58 11.91 13.66 46.84 2.85 23.43 0.00 0.63 0.66 8 S C T 79.27 2.77 14.48 18.04 100.06 56.99 -86.42 -0.91 71.91 1.85 26.24 12.96 12.41 45.81 2.94 23.99 0.01 1.08 0.80 9 H C C 78.44 13.35 10.94 23.99 103.36 70.19 -87.79 37.07 67.78 5.25 26.97 32.44 18.79 17.07 3.24 23.49 0.01 2.62 2.34 10 D C T 101.75 3.73 16.91 21.85 108.79 146.64 -85.12 104.35 84.42 4.87 10.71 26.90 22.65 35.64 1.93 8.35 0.01 2.93 1.59 11 G C S 35.34 9.12 17.98 27.38 104.29 19.40 88.73 -0.34 82.86 12.36 4.77 24.98 30.34 28.53 0.57 4.21 0.01 10.03 1.35 12 Y C C 74.06 13.13 19.87 32.95 119.89 100.05 -104.92 138.61 58.93 38.88 2.19 44.96 10.10 2.92 0.84 1.66 0.01 30.30 9.21 13 C E C 15.36 21.00 15.90 36.36 120.24 -154.08 -107.78 135.08 43.96 55.25 0.79 38.88 2.84 0.62 0.44 0.42 0.00 36.97 19.84 14 L C C 53.67 11.87 20.88 32.88 124.53 -162.46 -108.87 146.83 69.86 28.31 1.83 56.11 7.64 6.34 0.58 1.39 0.02 20.88 7.05 15 H C T 106.93 7.86 19.61 28.17 95.66 -3.89 52.00 47.17 95.86 2.74 1.40 1.00 6.74 88.70 0.09 1.17 0.00 1.79 0.50 16 D C T 99.80 4.95 20.80 26.44 93.85 -50.87 66.34 21.97 98.29 0.65 1.06 1.19 8.02 89.06 0.05 1.10 0.00 0.50 0.10 17 G C C 8.81 18.84 13.96 32.66 127.76 124.80 -97.30 167.07 67.98 31.68 0.34 38.37 27.34 3.97 0.04 0.37 0.00 28.02 1.89 18 V E E 51.97 8.67 25.33 34.89 121.97 -123.58 -111.92 136.89 13.29 86.69 0.01 12.90 0.41 0.02 0.00 0.01 0.00 85.49 1.17 19 C E E 12.12 22.71 16.31 39.01 120.75 -151.85 -105.93 132.90 5.18 94.82 0.00 4.68 0.21 0.00 0.00 0.00 0.00 95.01 0.09 20 M E E 53.36 10.08 22.95 33.83 126.74 -172.67 -126.64 140.38 0.52 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 21 Y E E 83.79 11.51 16.36 29.01 114.75 -128.17 -92.64 127.85 0.80 99.19 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.21 0.03 22 I E E 35.28 10.42 11.99 24.94 111.35 -157.22 -106.13 111.29 11.33 88.57 0.10 10.50 0.56 0.09 0.02 0.05 0.00 88.33 0.45 23 E C T 136.10 2.50 12.70 16.73 94.41 -163.44 -66.66 -32.59 71.49 1.64 26.87 1.68 3.97 63.24 0.53 29.01 0.00 1.39 0.17 24 A C T 92.38 0.80 12.43 12.60 92.11 53.48 -67.39 -33.77 75.66 0.59 23.74 1.44 3.46 68.18 0.62 25.76 0.00 0.40 0.14 25 L C T 87.29 4.48 10.23 16.43 98.14 33.86 -99.82 -6.28 77.81 0.27 21.92 2.17 5.68 66.48 0.55 24.85 0.00 0.16 0.09 26 D C T 114.70 2.65 13.61 17.95 94.56 -127.62 57.01 39.85 99.33 0.36 0.31 4.15 4.60 90.60 0.03 0.26 0.00 0.32 0.03 27 K E E 88.01 5.74 17.03 24.47 136.36 102.97 -137.50 159.40 10.43 89.55 0.02 7.55 1.87 0.26 0.00 0.02 0.00 90.06 0.23 28 Y E E 59.14 16.00 15.36 31.62 119.28 -114.76 -96.07 136.37 1.27 98.73 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.83 0.02 29 A E E 21.40 12.31 21.75 35.08 134.86 175.49 -136.46 157.37 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.01 30 C E E 11.91 22.06 16.90 38.85 124.41 -143.46 -115.80 137.25 2.71 97.29 0.00 2.49 0.07 0.00 0.00 0.00 0.00 97.36 0.08 31 N E E 72.74 8.18 25.81 34.16 112.78 -158.45 -107.99 114.32 21.73 78.26 0.01 18.68 2.57 0.07 0.00 0.01 0.00 78.12 0.55 32 C C C 22.41 20.25 13.68 33.17 119.33 -156.39 -88.35 145.97 53.84 46.12 0.03 53.87 1.36 0.04 0.01 0.02 0.00 39.21 5.48 33 V C C 51.92 9.02 17.52 27.78 117.46 -109.96 -73.31 154.84 90.74 9.10 0.16 88.79 2.30 0.39 0.04 0.12 0.00 5.13 3.23 34 V C T 112.12 3.38 17.10 21.72 109.41 -75.71 -59.83 133.35 98.47 0.90 0.62 0.36 4.29 94.13 0.04 0.46 0.00 0.48 0.24 35 G C T 48.74 3.46 17.65 21.62 95.70 19.67 86.92 -4.47 99.26 0.41 0.33 0.72 4.07 94.54 0.01 0.33 0.00 0.29 0.05 36 Y C C 60.43 14.16 11.28 26.02 122.30 109.21 -97.31 143.02 65.95 33.68 0.37 59.45 5.38 0.68 0.13 0.27 0.00 21.35 12.74 37 I C C 85.07 6.85 16.22 24.70 130.31 -174.55 -135.62 149.28 51.43 48.22 0.35 45.20 4.43 0.55 0.21 0.18 0.00 28.72 20.71 38 G C S 29.93 5.34 17.74 24.17 130.05 38.81 102.97 -165.15 75.22 22.71 2.07 16.89 35.52 23.73 0.51 1.75 0.06 15.84 5.70 39 E C T 143.00 2.88 16.50 20.41 93.51 -53.59 -68.26 -25.98 93.85 1.22 4.93 1.99 18.76 73.42 0.59 3.96 0.00 0.74 0.53 40 R C T 124.02 6.90 17.39 24.97 96.72 44.26 -90.54 2.27 92.70 1.21 6.08 2.33 13.51 76.80 0.80 5.24 0.00 0.82 0.49 41 C C T 22.40 18.99 12.77 31.18 98.68 -103.54 63.66 43.33 66.50 25.71 7.79 20.72 17.30 31.15 1.98 5.68 0.35 16.74 6.07 42 Q C E 92.49 5.81 19.97 26.37 104.17 153.25 -85.51 38.53 49.03 48.24 2.73 38.49 6.51 3.53 1.77 1.45 0.02 39.61 8.62 43 Y E E 90.51 12.33 13.58 26.24 115.87 102.58 -99.57 126.86 37.54 58.57 3.89 30.39 4.01 1.86 3.17 1.47 0.02 37.79 21.30 44 R C C 134.56 6.67 14.82 22.67 108.57 -172.77 -102.57 -3.06 73.77 19.23 7.01 59.98 8.86 4.06 4.50 2.88 0.01 17.13 2.57 45 D C C 81.99 4.64 14.88 20.57 109.59 62.57 -97.32 100.40 84.32 7.07 8.61 71.41 8.19 4.37 5.55 3.30 0.00 5.40 1.78 46 L C C 71.37 11.31 9.79 21.68 98.05 -170.86 -75.54 -8.79 53.33 2.50 44.18 33.10 7.20 12.57 19.02 25.69 0.01 1.72 0.69 47 K H G 134.07 2.38 13.66 16.94 94.56 89.89 -68.59 -27.79 37.05 2.46 60.49 13.08 6.42 16.76 24.33 37.00 0.07 1.72 0.62 48 W H G 132.46 4.91 11.35 17.87 95.90 61.68 -74.83 -23.00 27.78 2.83 69.39 10.35 4.91 12.18 27.59 42.23 0.06 2.14 0.54 49 W H G 118.65 7.89 8.93 18.04 100.58 62.97 -80.26 -15.40 31.29 5.72 62.99 16.51 5.96 9.39 28.68 34.08 0.06 4.10 1.21 50 E C C 124.53 3.03 10.22 14.73 103.42 75.67 -81.82 15.99 46.34 7.80 45.87 24.82 7.69 13.87 24.11 21.94 0.13 5.14 2.30 51 L C C 119.60 2.87 8.27 12.74 105.92 58.20 -82.69 62.98 66.22 3.37 30.41 51.47 2.13 14.40 20.03 8.39 0.00 2.19 1.38 52 R C C 156.96 3.51 10.67 15.95 108.26 66.38 -89.64 85.43 99.77 0.11 0.12 99.59 0.10 0.13 0.09 0.01 0.00 0.06 0.02