# 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 L C C 108.36 5.49 11.34 18.13 110.93 -151.42 -88.85 119.17 99.75 0.24 0.01 99.68 0.12 0.04 0.00 0.00 0.00 0.13 0.02 1 V C C 96.47 4.17 9.87 15.96 118.05 132.31 -101.62 137.69 86.48 13.29 0.23 85.43 1.68 0.47 0.11 0.09 0.00 7.65 4.57 2 R C C 167.33 2.36 11.05 15.22 116.97 -126.72 -91.06 134.26 91.43 8.38 0.19 79.14 11.61 0.72 0.05 0.14 0.00 6.98 1.36 3 P C C 72.94 8.04 9.03 18.50 114.95 -108.49 -68.11 149.95 90.97 7.32 1.71 78.85 7.61 4.16 0.36 1.45 0.00 6.38 1.20 4 L C C 100.59 5.09 12.22 18.93 109.04 -115.91 -77.65 137.28 76.95 20.34 2.71 51.27 18.65 7.62 0.46 2.45 0.00 16.85 2.69 5 T C E 84.91 6.27 12.34 20.21 119.20 -140.61 -104.88 133.63 53.81 43.99 2.20 37.59 13.52 4.31 0.40 1.83 0.01 40.13 2.20 6 K E E 93.07 8.72 13.59 23.53 124.22 -173.18 -119.25 142.46 36.78 62.45 0.78 27.58 7.61 1.76 0.14 0.64 0.00 61.45 0.81 7 A E E 57.53 7.85 16.06 25.02 121.51 -137.85 -103.82 138.79 19.87 80.05 0.08 17.39 1.61 0.17 0.01 0.05 0.00 80.51 0.25 8 M E E 36.51 14.68 14.34 29.97 131.29 -173.92 -131.05 150.00 2.76 97.24 0.00 2.50 0.11 0.00 0.00 0.00 0.00 97.34 0.04 9 T E E 51.58 8.24 20.38 29.82 119.49 -138.50 -107.41 130.76 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 10 V E E 20.55 17.29 15.38 33.53 119.62 -164.95 -112.42 129.18 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 11 V E E 58.74 7.03 18.77 27.32 115.34 -152.64 -104.66 122.74 0.37 99.63 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.61 0.03 12 L E E 36.82 12.89 11.18 25.21 121.99 -150.51 -86.13 162.70 44.94 54.95 0.11 44.30 0.66 0.11 0.02 0.06 0.00 54.10 0.75 13 S C T 81.59 3.99 12.95 18.57 91.68 -104.08 -62.69 -24.23 94.23 2.85 2.91 1.03 5.80 87.63 0.07 2.99 0.00 2.18 0.30 14 N C T 113.82 2.04 13.25 15.76 93.35 57.63 -87.55 2.01 96.82 0.31 2.87 0.46 4.61 91.54 0.05 3.09 0.00 0.17 0.08 15 G C S 47.83 3.18 13.60 18.01 98.96 -99.53 90.47 4.87 95.99 1.10 2.91 9.54 74.09 12.30 0.15 2.88 0.00 0.71 0.32 16 A C C 42.62 7.32 12.13 21.63 118.89 137.12 -75.89 147.98 84.73 15.21 0.07 83.91 1.14 0.15 0.01 0.04 0.00 13.99 0.76 17 T E E 71.96 8.27 14.46 24.55 126.55 -155.04 -123.65 140.79 1.18 98.82 0.00 1.13 0.05 0.00 0.00 0.00 0.00 98.66 0.16 18 L E E 48.70 12.62 14.92 28.77 126.10 -169.65 -123.80 139.01 0.23 99.77 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 19 R E E 124.34 7.38 17.91 26.70 120.47 -155.69 -112.25 132.22 0.80 99.20 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.02 20 L E E 38.82 14.00 14.10 29.13 123.08 -170.63 -120.67 136.05 9.08 90.89 0.03 8.46 0.34 0.03 0.01 0.01 0.00 90.97 0.17 21 P E E 66.43 5.71 18.44 25.01 113.81 -115.01 -70.67 141.58 21.35 78.13 0.52 18.94 1.88 0.44 0.18 0.27 0.00 77.57 0.73 22 T C C 41.52 14.09 10.35 24.65 121.00 -157.03 -109.84 137.99 55.72 40.51 3.77 45.97 6.11 2.58 1.72 2.15 0.01 36.31 5.15 23 V C C 102.38 3.57 13.86 18.39 101.33 -158.82 -92.55 -7.37 73.63 21.23 5.14 36.28 28.36 11.14 1.54 3.32 0.05 16.03 3.29 24 Y C C 130.74 4.45 10.17 16.27 117.25 75.92 -100.20 140.63 83.17 12.28 4.55 34.93 32.04 17.60 1.12 3.19 0.02 8.03 3.06 25 A C S 90.22 2.15 10.41 13.89 100.51 -123.23 -76.49 10.17 94.54 3.28 2.18 34.00 40.74 20.00 0.34 1.94 0.00 2.09 0.88 26 R C S 149.32 2.99 9.73 14.42 118.66 105.74 -103.04 141.55 94.32 4.32 1.37 38.58 45.15 10.76 0.24 1.25 0.00 2.48 1.54 27 A C C 87.01 2.78 10.57 14.90 107.14 -120.92 -77.00 81.47 94.93 4.49 0.58 56.37 34.24 4.50 0.10 0.58 0.00 2.91 1.30 28 K C C 130.48 3.12 11.56 16.28 122.92 58.78 -116.74 142.46 92.33 7.41 0.27 58.29 33.56 1.16 0.07 0.22 0.00 5.43 1.27 29 P C C 76.94 7.25 11.33 20.07 114.37 -105.73 -68.86 147.49 89.69 9.82 0.49 79.76 7.83 1.83 0.13 0.42 0.00 9.03 1.00 30 W E E 125.32 8.82 12.19 22.32 120.00 -145.25 -108.24 136.12 36.90 62.27 0.82 29.53 6.22 1.29 0.33 0.63 0.00 53.67 8.32 31 F E E 118.69 6.42 14.52 22.52 120.31 -156.83 -112.07 130.41 39.88 59.81 0.31 36.17 3.02 0.27 0.15 0.19 0.00 58.28 1.93 32 P E E 54.45 12.09 10.62 23.42 113.61 -117.24 -71.43 142.04 43.87 54.94 1.20 40.68 2.07 0.60 0.49 0.59 0.00 54.34 1.22 33 V E E 104.78 3.92 15.48 20.47 103.42 -166.73 -99.48 -2.46 40.73 48.69 10.59 28.16 10.88 3.81 7.02 3.39 0.06 43.95 2.72 34 M E E 97.06 5.83 13.59 20.89 123.11 59.36 -116.66 139.59 36.38 51.75 11.88 23.90 10.79 3.42 8.52 3.59 0.09 46.92 2.77 35 D E E 69.79 7.17 13.80 22.44 110.32 -131.00 -89.68 118.79 43.58 48.39 8.03 39.41 2.54 1.54 5.18 2.85 0.01 44.24 4.24 36 L C G 64.27 11.85 11.36 24.15 96.85 -164.19 -76.21 -18.25 47.01 10.26 42.73 19.70 8.10 20.97 10.40 30.74 0.04 8.63 1.42 37 H C T 117.74 5.49 13.01 19.76 95.04 74.44 -74.41 -18.39 52.30 6.27 41.43 8.83 9.39 34.51 8.58 32.19 0.11 4.96 1.43 38 S C T 81.38 2.31 13.88 16.64 97.47 54.93 -91.55 2.53 56.77 3.73 39.49 13.99 12.93 31.77 6.67 31.03 0.04 2.46 1.11 39 H C C 71.52 9.26 8.21 18.82 118.10 103.56 -92.56 139.87 80.41 4.89 14.70 41.83 31.12 7.58 9.95 4.50 0.03 1.88 3.11 40 N C T 117.24 2.10 13.03 15.92 94.47 -130.43 -66.28 -22.74 54.42 2.33 43.25 11.98 10.28 31.10 25.30 18.65 0.20 1.40 1.10 41 V C T 84.17 5.55 11.52 18.53 93.88 66.06 -73.75 -19.90 51.92 3.45 44.63 8.64 9.06 32.35 27.08 18.61 0.54 2.27 1.46 42 W H H 108.99 9.36 10.25 20.57 98.77 57.85 -88.40 -4.29 43.41 10.62 45.98 14.39 9.92 19.69 27.33 17.39 1.22 7.07 2.98 43 K C C 131.27 3.62 13.05 17.91 104.66 82.22 -88.07 54.05 53.51 11.56 34.93 32.59 11.62 10.11 27.09 7.58 0.15 8.23 2.64 44 H C C 111.99 5.52 10.09 17.24 113.93 116.88 -93.96 134.80 52.94 14.85 32.21 32.50 10.17 10.28 25.98 6.72 0.13 11.79 2.42 45 K C C 140.73 3.01 11.87 16.32 112.52 -142.96 -95.15 123.23 52.13 18.17 29.70 32.90 9.16 9.63 24.12 6.39 0.15 14.89 2.75 46 I C C 89.99 7.21 8.55 17.19 115.30 -154.33 -95.79 131.92 49.35 17.76 32.88 33.57 8.74 7.17 27.22 6.17 0.15 14.12 2.85 47 K C C 135.69 3.33 10.74 15.50 109.27 -141.97 -86.15 120.79 52.69 8.92 38.39 32.70 9.80 10.50 30.78 7.58 0.07 7.00 1.56 48 T C H 89.86 3.47 9.86 14.85 112.35 -125.90 -90.82 137.51 52.56 4.59 42.84 24.82 12.61 16.12 31.93 10.11 0.11 3.14 1.16 49 D C H 107.88 2.43 10.90 14.42 104.45 -96.58 -82.76 33.73 53.14 3.06 43.79 29.22 10.55 13.80 32.75 10.78 0.05 1.91 0.95 50 F C H 118.22 5.71 8.55 15.73 107.38 101.57 -87.50 70.12 48.60 4.81 46.59 27.43 10.28 12.13 35.75 9.90 0.08 3.10 1.34 51 Q C H 119.23 3.05 10.37 14.90 109.34 82.82 -86.76 117.45 51.98 6.48 41.54 31.67 9.71 11.40 33.07 8.01 0.07 4.31 1.76 52 L C C 103.25 4.34 9.01 14.99 109.96 75.16 -85.86 124.53 58.14 4.47 37.38 32.58 14.52 11.97 30.48 6.39 0.06 2.60 1.40 53 E C C 129.46 2.92 9.76 14.19 107.74 -134.37 -86.00 102.59 63.22 2.86 33.93 38.24 12.00 12.94 26.97 7.18 0.02 1.59 1.06 54 S C C 73.21 3.96 8.64 14.26 104.79 90.16 -83.24 16.93 57.96 2.59 39.45 28.79 11.43 17.92 25.33 14.00 0.05 1.41 1.08 55 E C C 143.69 2.04 9.43 12.75 103.32 65.03 -84.15 2.97 57.68 3.69 38.62 26.04 12.10 20.19 21.11 16.97 0.07 2.09 1.43 56 K C C 141.34 2.66 9.33 13.60 105.18 83.36 -86.85 26.94 64.20 6.01 29.78 31.22 16.66 17.22 15.45 13.76 0.09 3.54 2.06 57 N C C 117.73 2.69 9.99 14.32 107.52 56.99 -89.70 95.26 75.44 7.24 17.31 44.69 15.91 15.25 9.08 8.10 0.03 4.54 2.41 58 I C C 96.88 6.02 9.34 17.18 117.42 124.17 -101.81 133.12 84.60 9.87 5.53 64.43 16.35 3.33 4.13 1.78 0.01 4.99 4.97 59 T C C 95.34 3.35 12.05 17.23 117.20 -147.49 -101.31 130.35 93.62 3.94 2.44 82.36 9.99 1.32 2.12 0.55 0.00 2.36 1.31 60 P C C 66.57 9.54 9.32 19.94 114.15 -113.89 -67.59 148.20 83.23 4.33 12.45 69.94 6.76 5.82 10.95 2.39 0.00 2.71 1.42 61 D C C 94.89 3.09 13.79 17.92 108.55 -127.48 -87.93 109.97 79.43 5.37 15.21 68.88 4.90 5.24 13.58 2.29 0.00 2.79 2.31 62 F H H 107.89 8.90 10.33 20.40 95.94 -169.01 -72.61 -24.10 33.94 1.62 64.44 27.40 4.73 3.87 60.29 2.37 0.00 0.74 0.60 63 S H H 67.58 2.16 13.49 16.27 92.73 67.06 -63.64 -39.74 5.69 0.25 94.05 2.88 0.94 2.31 91.05 2.56 0.01 0.21 0.05 64 N H H 90.47 2.07 14.94 17.06 92.61 51.11 -66.02 -38.39 3.05 0.32 96.63 1.33 0.47 1.52 93.26 3.06 0.01 0.31 0.04 65 F H H 62.99 8.53 11.29 21.55 92.67 51.98 -64.89 -41.77 2.20 0.31 97.48 0.98 0.34 1.12 94.34 2.86 0.01 0.31 0.03 66 Y H H 105.32 5.77 12.08 19.51 92.31 51.39 -64.79 -40.24 2.88 0.39 96.73 1.22 0.43 1.51 94.18 2.23 0.01 0.34 0.06 67 N H H 113.45 1.14 13.92 14.36 92.78 52.34 -66.24 -35.48 8.25 0.33 91.41 1.70 0.83 5.62 87.88 3.58 0.04 0.28 0.08 68 K H H 130.04 2.59 12.41 15.92 93.91 51.89 -71.30 -30.69 17.77 0.25 81.98 2.13 1.42 14.02 78.79 3.35 0.03 0.17 0.08 69 F H H 110.85 6.34 9.18 16.86 100.77 45.49 -95.14 -4.45 36.41 1.24 62.35 7.71 6.11 23.85 58.12 2.88 0.14 0.57 0.62 70 G C C 48.65 3.70 9.36 14.77 108.90 85.34 -85.82 103.38 86.48 2.83 10.70 60.08 2.44 22.80 10.57 1.19 0.00 1.36 1.56 71 K C C 152.94 2.28 11.32 15.16 109.86 -90.83 -85.56 123.24 99.78 0.18 0.04 99.64 0.13 0.07 0.02 0.00 0.00 0.10 0.02