# 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 102.01 8.37 12.32 21.64 114.16 -155.25 -93.87 130.95 99.95 0.05 0.00 99.91 0.05 0.01 0.00 0.00 0.00 0.02 0.00 1 Y C C 143.37 4.98 12.02 18.77 116.70 -158.59 -101.08 135.18 94.69 4.32 0.99 92.46 0.91 1.91 0.31 0.47 0.00 2.45 1.49 2 T C C 83.62 6.30 11.19 19.01 114.86 -154.94 -97.47 135.72 91.63 5.99 2.38 67.18 14.13 9.92 0.45 2.27 0.00 4.03 2.01 3 N C C 110.04 4.28 13.43 19.08 105.29 -141.53 -91.09 16.89 91.49 5.24 3.27 42.09 31.05 18.45 0.35 3.42 0.00 3.45 1.19 4 S C C 54.44 8.01 14.69 23.74 113.76 90.92 -99.59 128.78 90.15 7.31 2.54 39.32 35.87 14.97 0.21 2.79 0.00 5.99 0.86 5 D C C 59.61 11.15 17.16 28.73 116.71 -124.91 -94.42 137.18 76.23 22.18 1.59 54.17 16.42 4.46 0.18 1.63 0.00 22.28 0.86 6 F E E 38.55 15.64 18.46 34.40 135.78 173.54 -139.40 156.82 22.91 76.98 0.12 20.18 2.06 0.21 0.02 0.09 0.00 76.91 0.51 7 V E E 15.44 18.96 20.80 39.90 122.77 -144.07 -116.57 133.11 2.47 97.53 0.00 2.26 0.10 0.00 0.00 0.00 0.00 97.59 0.05 8 V E E 24.93 15.12 24.55 40.00 118.32 -158.11 -108.87 126.77 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 9 I E E 8.28 23.01 20.65 43.67 120.64 -167.69 -114.77 127.94 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 10 K E E 67.92 11.55 25.81 37.27 120.55 -166.22 -114.52 129.41 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 11 A E E 10.75 20.51 15.68 36.25 118.85 -150.16 -99.52 135.59 3.44 96.55 0.01 3.05 0.16 0.01 0.00 0.00 0.00 96.72 0.05 12 L E E 78.22 8.53 18.99 28.17 111.01 -149.81 -96.82 117.94 19.16 80.65 0.18 15.25 3.16 0.46 0.03 0.13 0.00 80.71 0.26 13 E E E 89.98 8.02 14.74 23.93 126.78 154.28 -137.20 140.98 24.52 72.68 2.81 3.98 8.67 17.57 0.22 2.71 0.00 65.08 1.76 14 D C T 123.02 1.70 16.61 18.29 94.40 -9.51 52.22 48.37 95.62 1.57 2.81 0.81 5.87 88.62 0.04 3.41 0.00 1.08 0.17 15 G C T 40.09 6.18 16.02 23.30 96.64 -45.25 85.49 0.22 97.43 1.23 1.34 1.54 8.73 86.77 0.02 1.77 0.00 1.08 0.10 16 V E E 31.87 15.61 13.64 30.12 120.70 115.08 -104.77 133.44 7.21 92.78 0.01 6.04 0.57 0.04 0.00 0.00 0.00 93.18 0.16 17 N E E 52.30 10.46 21.91 33.06 122.44 -161.00 -116.46 133.43 0.92 99.08 0.00 0.76 0.04 0.00 0.00 0.00 0.00 99.19 0.01 18 V E E 23.44 18.10 18.94 37.38 120.05 -162.13 -113.84 127.17 0.15 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 19 I E E 44.71 12.63 22.43 35.51 122.47 -171.80 -119.79 130.91 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 20 G E E 12.02 14.26 21.34 35.88 139.00 149.04 -147.04 162.39 0.43 99.57 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 21 L E E 43.90 14.57 19.14 34.19 124.66 -142.82 -119.96 137.21 1.66 98.33 0.00 1.51 0.07 0.01 0.00 0.00 0.00 98.38 0.03 22 T E E 33.90 11.47 16.79 29.74 127.58 -169.50 -122.06 148.57 7.55 92.41 0.04 6.50 0.66 0.09 0.01 0.02 0.00 92.18 0.54 23 R E E 133.74 6.28 15.34 23.07 117.82 -151.39 -110.99 127.80 44.83 54.80 0.37 23.06 19.48 3.65 0.05 0.36 0.00 52.49 0.92 24 G C S 42.87 3.19 14.37 18.51 122.68 13.14 89.74 -164.46 91.00 7.30 1.70 12.17 50.25 28.74 0.11 1.71 0.00 6.27 0.76 25 A C T 95.75 1.47 12.65 14.41 96.56 -38.34 -75.77 -21.35 96.22 1.07 2.71 6.41 42.70 47.06 0.18 2.64 0.00 0.70 0.31 26 D C T 113.85 1.62 13.65 15.55 107.50 44.11 -101.92 77.25 92.51 5.06 2.43 11.54 36.46 44.45 0.17 2.45 0.00 4.33 0.59 27 T C C 57.95 11.78 9.41 21.56 116.49 -141.90 -93.29 130.54 60.36 38.69 0.95 44.84 9.10 5.48 0.17 0.86 0.00 38.57 0.98 28 R E E 129.06 5.31 16.21 23.01 119.87 -173.35 -114.93 131.85 32.50 67.28 0.22 23.59 7.87 1.04 0.04 0.17 0.00 66.66 0.61 29 F E E 89.16 11.81 14.27 26.68 122.22 -158.56 -114.81 134.88 8.69 91.20 0.11 7.09 0.99 0.20 0.03 0.06 0.00 91.44 0.19 30 H E E 93.53 9.41 16.31 27.07 128.60 -175.71 -133.17 139.70 3.05 96.87 0.08 2.57 0.32 0.08 0.02 0.04 0.00 96.85 0.13 31 H E E 76.23 11.83 16.01 28.73 129.50 -171.55 -135.80 143.61 6.16 93.69 0.15 5.22 0.68 0.18 0.04 0.09 0.00 93.51 0.27 32 S E E 55.34 10.88 16.25 28.10 128.17 -171.38 -128.42 142.96 17.86 81.91 0.22 14.11 3.02 0.57 0.04 0.15 0.00 81.77 0.33 33 E E E 75.74 10.37 17.89 29.26 131.56 -175.95 -137.88 145.98 19.60 80.10 0.30 14.89 4.40 0.84 0.06 0.23 0.00 79.02 0.57 34 C E E 77.89 6.39 20.72 27.98 113.96 -122.15 -87.29 129.97 25.00 74.68 0.32 21.56 2.94 0.68 0.09 0.22 0.00 72.50 2.01 35 L C C 23.49 21.37 10.56 30.89 121.33 -162.96 -107.26 144.41 64.40 35.35 0.25 59.99 3.47 0.44 0.09 0.17 0.00 31.72 4.12 36 D C C 86.31 2.97 21.12 23.45 123.64 -135.41 -95.02 161.96 92.32 7.55 0.13 86.48 5.46 0.48 0.04 0.08 0.00 6.18 1.28 37 K C T 144.34 4.10 16.70 22.35 108.35 -65.31 -61.59 130.11 97.90 1.66 0.44 0.85 8.45 89.01 0.03 0.35 0.00 1.02 0.29 38 G C T 30.10 9.11 18.39 28.11 97.60 17.61 88.54 -4.35 97.62 2.12 0.26 1.62 8.53 87.61 0.01 0.24 0.00 1.89 0.10 39 E E E 47.53 12.07 18.22 31.48 121.22 117.04 -94.64 146.34 37.51 62.40 0.09 32.20 4.52 0.38 0.02 0.08 0.00 61.41 1.40 40 V E E 22.28 17.57 19.35 37.52 122.47 -155.03 -116.12 134.79 6.17 93.82 0.01 5.73 0.29 0.02 0.00 0.00 0.00 93.78 0.18 41 L E E 24.58 16.40 22.66 39.36 119.44 -158.96 -109.69 129.49 0.98 99.01 0.00 0.90 0.04 0.00 0.00 0.00 0.00 99.03 0.03 42 I E E 27.34 16.84 22.67 39.49 119.19 -166.16 -114.72 125.25 0.44 99.56 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 43 A E E 19.31 14.96 21.25 36.87 120.13 -168.36 -114.15 130.47 0.90 99.09 0.01 0.78 0.05 0.01 0.00 0.00 0.00 99.15 0.02 44 Q E E 53.82 11.05 19.37 31.57 114.78 -160.26 -108.84 121.13 7.13 92.82 0.04 6.20 0.50 0.07 0.01 0.02 0.00 93.04 0.16 45 F E E 88.04 10.22 15.89 27.01 104.00 -160.42 -95.89 24.28 45.30 54.47 0.23 30.80 12.64 1.75 0.03 0.20 0.00 53.90 0.68 46 T C C 58.38 4.04 16.36 21.17 135.21 33.94 -137.10 172.93 80.37 19.16 0.46 40.36 33.97 6.18 0.08 0.45 0.00 17.26 1.70 47 E C S 154.57 1.83 14.26 16.59 92.73 -88.61 -65.67 -26.85 98.64 0.77 0.59 6.00 65.26 27.54 0.06 0.47 0.00 0.49 0.18 48 H C S 129.18 2.91 14.40 18.13 109.88 34.64 -108.66 86.74 96.67 2.75 0.58 8.27 59.62 28.92 0.05 0.53 0.00 2.27 0.34 49 T E E 58.42 10.30 14.22 25.40 126.22 -111.18 -126.10 140.07 45.31 54.48 0.21 36.04 7.57 1.15 0.04 0.20 0.00 53.63 1.37 50 S E E 30.50 12.72 16.10 29.96 129.11 -173.18 -129.89 147.89 19.12 80.81 0.07 16.60 1.52 0.18 0.02 0.04 0.00 81.33 0.32 51 A E E 41.84 11.96 19.82 32.20 126.40 -160.67 -125.54 138.05 6.34 93.64 0.02 5.28 0.58 0.06 0.00 0.01 0.00 94.01 0.07 52 I E E 28.00 18.35 18.25 36.80 125.41 -169.24 -124.82 135.07 0.79 99.21 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.22 0.02 53 K E E 79.47 9.72 24.16 34.26 118.06 -157.67 -108.55 128.51 0.36 99.64 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 54 V E E 10.50 22.49 15.79 38.69 120.14 -164.06 -112.62 129.76 2.43 97.57 0.00 2.36 0.06 0.00 0.00 0.00 0.00 97.40 0.17 55 R E E 115.45 6.63 22.73 29.96 122.65 -168.22 -117.18 136.95 29.43 70.44 0.12 22.39 5.90 0.93 0.01 0.12 0.00 70.23 0.42 56 G C S 30.23 5.48 21.61 27.64 125.59 14.65 88.94 -158.90 59.33 40.53 0.14 4.24 43.69 9.93 0.00 0.16 0.00 41.63 0.34 57 K E E 110.76 6.18 22.58 29.14 113.31 -26.31 -87.36 125.47 46.26 53.51 0.23 26.55 13.43 4.79 0.01 0.30 0.00 54.57 0.33 58 A E E 6.07 24.08 13.81 38.01 126.80 160.23 -117.44 148.46 13.99 86.00 0.01 12.89 0.63 0.02 0.00 0.01 0.00 86.30 0.14 59 Y E E 77.66 8.42 26.39 35.69 120.45 -151.68 -114.99 130.21 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 60 I E E 8.53 23.63 16.41 40.63 118.60 -161.14 -111.96 126.40 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 61 Q E E 76.14 7.16 22.33 30.11 117.48 -161.53 -108.61 126.61 1.67 98.33 0.00 1.40 0.07 0.00 0.00 0.00 0.00 98.49 0.03 62 T E E 24.97 15.15 11.23 26.78 132.66 169.68 -128.55 173.35 28.38 71.59 0.03 24.84 1.97 0.18 0.00 0.02 0.00 72.67 0.30 63 S C T 93.67 1.71 15.15 17.31 90.73 -93.33 -64.36 -22.77 99.54 0.32 0.14 0.74 23.92 74.94 0.00 0.13 0.00 0.22 0.03 64 H C T 135.60 2.87 12.53 16.25 97.80 47.10 -98.25 -5.66 99.53 0.33 0.14 1.10 22.85 75.63 0.00 0.14 0.00 0.24 0.04 65 G E E 29.69 3.34 16.74 21.21 137.84 -71.12 139.44 -175.02 22.45 77.53 0.02 17.18 4.11 0.26 0.00 0.02 0.00 78.17 0.26 66 V E E 90.58 6.76 14.64 22.98 121.52 -50.80 -104.91 138.94 2.43 97.57 0.00 2.31 0.06 0.00 0.00 0.00 0.00 97.58 0.05 67 I E E 50.60 14.45 13.07 28.19 123.48 -164.91 -119.30 135.23 0.40 99.60 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 68 E E E 110.09 5.60 19.38 26.28 120.81 -156.41 -109.55 135.04 3.22 96.77 0.01 3.01 0.12 0.01 0.00 0.00 0.00 96.69 0.16 69 S C E 28.15 17.39 10.60 27.33 118.48 -149.63 -95.20 144.83 50.81 48.61 0.58 39.31 8.44 2.03 0.10 0.49 0.00 48.83 0.80 70 E C S 122.05 4.71 15.98 21.55 107.23 -147.39 -95.19 54.84 85.44 12.65 1.92 35.51 38.52 11.62 0.23 1.82 0.00 11.28 1.02 71 G C C 42.72 6.27 11.68 19.35 118.42 -123.79 -83.38 155.04 92.10 5.82 2.07 39.73 39.48 13.02 0.24 2.13 0.00 4.39 1.00 72 K C C 146.37 3.44 11.28 16.40 112.21 -118.94 -91.60 128.00 93.89 4.53 1.58 86.61 3.25 4.16 0.34 1.27 0.00 3.07 1.30 73 K C C 144.79 3.71 11.44 16.99 110.63 -126.06 -83.07 122.19 99.93 0.06 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01