# 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 G C C 37.99 5.78 13.41 20.54 127.56 -148.15 137.18 177.00 99.91 0.08 0.01 99.68 0.23 0.04 0.00 0.00 0.00 0.04 0.01 1 P C C 102.60 3.05 12.03 16.44 109.93 -48.94 -73.29 140.21 92.62 1.41 5.98 85.45 1.66 6.01 1.04 4.41 0.00 0.81 0.62 2 L C C 117.08 4.10 9.79 15.64 109.48 -136.74 -85.57 118.47 83.12 3.55 13.33 49.37 13.16 19.54 1.44 13.03 0.00 1.97 1.48 3 G C C 41.79 6.86 11.06 19.08 112.58 -138.54 -88.96 156.77 77.76 3.78 18.46 40.09 16.73 20.08 1.50 18.22 0.00 2.17 1.21 4 S C C 78.65 4.53 13.30 19.22 103.95 -120.06 -88.92 18.97 78.65 4.36 16.99 39.95 21.87 16.61 1.38 16.36 0.00 2.82 1.02 5 Q C C 102.00 5.76 15.09 22.07 117.43 99.60 -101.93 135.29 78.52 13.73 7.74 47.60 23.30 8.12 0.82 7.03 0.00 11.73 1.39 6 I E E 58.17 14.94 11.74 26.87 119.73 -152.84 -106.81 131.83 47.67 52.01 0.32 42.51 3.90 0.47 0.08 0.23 0.00 51.56 1.26 7 Y E E 105.26 7.35 18.72 27.15 124.81 -169.31 -119.42 142.84 9.47 90.45 0.08 8.65 0.66 0.08 0.04 0.04 0.00 88.24 2.28 8 Y E E 97.79 12.98 14.01 27.34 123.47 -150.18 -112.56 140.79 14.13 85.77 0.09 12.58 1.32 0.15 0.04 0.06 0.00 83.94 1.92 9 S C C 35.51 11.57 12.53 25.15 121.39 -127.18 -90.91 159.91 57.41 42.43 0.15 50.77 4.77 0.45 0.03 0.13 0.00 43.05 0.81 10 D C C 104.05 3.05 17.29 20.93 113.59 -107.11 -80.62 141.70 69.24 30.61 0.15 43.96 23.14 1.02 0.01 0.15 0.00 31.31 0.39 11 K E E 124.25 6.26 12.86 20.79 118.50 -105.05 -89.29 139.87 48.65 51.12 0.23 41.52 5.67 0.66 0.04 0.20 0.00 51.17 0.74 12 Y E E 91.62 8.82 10.58 21.06 127.65 -173.84 -128.08 147.68 11.02 88.84 0.14 9.91 0.89 0.16 0.07 0.08 0.00 82.24 6.64 13 D E E 104.64 2.97 11.73 16.44 116.50 -145.17 -111.43 126.30 25.76 74.10 0.14 22.06 3.30 0.52 0.04 0.11 0.00 72.07 1.90 14 D C C 68.91 6.46 8.00 16.16 120.09 170.31 -121.24 156.87 76.88 22.62 0.50 59.16 13.55 3.09 0.10 0.45 0.00 22.44 1.21 15 E C S 169.64 0.51 11.01 10.50 94.35 -95.04 -65.97 -28.35 98.54 0.48 0.98 5.07 58.36 35.39 0.14 0.64 0.00 0.29 0.10 16 E C S 149.98 0.95 10.99 11.59 100.97 33.22 -94.53 -24.96 98.09 0.97 0.93 5.15 59.27 33.94 0.12 0.68 0.00 0.67 0.17 17 F C E 89.49 7.12 9.98 18.78 131.19 13.84 -144.39 150.99 51.77 47.47 0.75 32.96 16.27 4.65 0.16 0.69 0.01 43.30 1.96 18 E E E 112.98 4.31 13.75 19.51 113.83 -136.69 -94.45 128.19 22.28 77.36 0.36 17.96 3.50 1.01 0.13 0.24 0.00 75.39 1.77 19 Y E E 70.29 11.57 12.32 25.13 132.13 173.21 -135.41 152.50 14.77 85.05 0.19 12.50 1.73 0.42 0.06 0.11 0.00 83.95 1.23 20 R E E 95.49 8.94 17.15 27.21 119.94 -142.65 -107.27 135.63 20.56 79.29 0.15 15.69 4.12 0.56 0.03 0.10 0.00 79.19 0.32 21 H E E 70.81 11.26 17.73 29.69 124.24 -138.07 -115.79 137.87 15.55 84.35 0.10 11.65 3.78 0.35 0.02 0.06 0.00 83.67 0.45 22 V E E 24.85 16.35 16.36 33.62 122.87 -165.61 -117.99 133.44 8.47 91.49 0.04 7.83 0.48 0.04 0.02 0.01 0.00 91.04 0.58 23 M E E 79.59 8.81 21.89 31.33 118.05 -148.24 -107.05 128.13 10.94 89.02 0.04 9.97 0.78 0.06 0.02 0.02 0.00 87.60 1.55 24 L E E 21.12 19.88 13.18 33.10 121.67 -164.28 -108.04 138.42 43.65 56.33 0.02 40.34 2.50 0.05 0.01 0.01 0.00 56.29 0.80 25 P C C 44.73 6.70 17.68 26.18 113.77 -107.40 -64.05 146.84 74.26 25.63 0.10 74.56 0.75 0.07 0.05 0.03 0.00 23.75 0.80 26 K H H 124.22 6.22 13.93 21.94 91.16 -115.37 -57.65 -37.05 5.63 0.03 94.35 0.53 0.68 3.99 85.46 9.30 0.01 0.02 0.01 27 D H H 103.54 1.52 17.42 18.11 91.59 57.16 -65.02 -34.69 3.58 0.03 96.39 0.33 0.30 2.72 86.88 9.73 0.01 0.03 0.01 28 I H H 39.72 12.45 14.02 27.46 93.92 48.14 -72.75 -33.51 1.80 0.03 98.17 0.23 0.15 1.26 88.38 9.95 0.00 0.02 0.00 29 A H H 21.74 17.21 11.38 28.46 91.18 62.87 -62.58 -36.00 4.06 0.03 95.91 0.36 0.23 3.10 82.78 13.50 0.01 0.02 0.01 30 K C T 153.72 1.55 18.41 19.67 90.86 59.84 -68.95 -21.41 51.32 0.05 48.63 0.47 0.80 53.83 35.21 9.61 0.02 0.02 0.05 31 L C T 102.02 4.47 16.49 21.88 93.77 57.42 -87.63 -8.43 63.80 0.07 36.13 0.62 1.49 64.30 25.85 7.62 0.01 0.03 0.07 32 V C S 23.94 19.91 7.73 26.25 117.65 96.15 -83.36 137.55 99.36 0.46 0.19 9.45 89.72 0.26 0.12 0.02 0.00 0.09 0.33 33 P C C 62.37 4.36 15.69 21.42 113.09 -105.92 -63.57 144.54 98.54 1.02 0.44 96.46 1.32 0.83 0.13 0.21 0.00 0.34 0.71 34 K C T 150.98 4.41 11.19 17.98 92.57 -125.45 -65.74 -22.21 96.69 0.55 2.75 5.26 21.32 69.71 0.27 2.83 0.00 0.31 0.30 35 T C T 111.47 1.17 14.66 15.22 96.17 60.74 -87.87 -3.01 96.29 1.33 2.38 6.86 18.52 70.52 0.21 2.57 0.00 0.93 0.38 36 H C C 92.28 8.27 11.40 21.06 115.94 94.93 -91.75 134.08 86.75 10.68 2.57 53.14 29.12 4.65 0.37 2.66 0.00 6.36 3.70 37 L C C 102.02 6.53 14.51 22.44 114.69 -142.58 -87.41 131.51 75.64 23.79 0.56 65.84 7.93 1.54 0.17 0.49 0.00 16.34 7.70 38 M C C 46.16 14.98 10.77 25.95 122.67 -143.74 -101.06 146.56 72.84 26.96 0.20 65.76 7.31 0.29 0.09 0.13 0.00 20.14 6.28 39 S C C 54.45 3.14 19.39 22.20 120.38 -114.46 -75.11 161.45 83.70 16.07 0.23 83.30 1.53 0.09 0.16 0.05 0.00 11.95 2.91 40 E H H 101.89 9.54 12.16 22.84 91.17 -108.02 -58.04 -37.99 1.86 0.02 98.12 0.39 0.33 1.11 97.40 0.75 0.00 0.01 0.00 41 S H H 76.51 1.25 17.17 17.06 91.75 54.28 -64.22 -40.32 0.83 0.01 99.15 0.09 0.09 0.63 98.35 0.83 0.00 0.01 0.00 42 E H H 73.91 5.70 15.52 22.71 91.85 49.51 -65.23 -40.68 0.31 0.02 99.67 0.04 0.03 0.23 98.71 0.96 0.00 0.02 0.00 43 W H H 29.13 17.66 10.96 28.57 92.19 50.42 -64.60 -41.72 0.47 0.03 99.50 0.05 0.04 0.36 98.76 0.74 0.00 0.03 0.00 44 R H H 125.70 5.62 15.34 22.27 91.47 51.54 -63.47 -39.93 3.98 0.03 95.98 0.29 0.20 3.40 94.83 1.24 0.01 0.02 0.01 45 N H H 122.43 1.19 16.99 17.18 91.11 53.32 -66.82 -27.90 16.07 0.02 83.91 0.34 0.41 15.98 82.05 1.17 0.02 0.01 0.02 46 L C T 63.85 10.63 12.96 24.64 93.72 54.80 -83.69 -7.12 68.81 0.13 31.06 1.14 2.26 64.11 30.87 1.46 0.01 0.04 0.10 47 G C T 42.97 4.88 17.68 23.12 98.26 -104.85 86.92 8.69 97.44 0.34 2.22 8.37 5.69 83.61 1.58 0.46 0.00 0.18 0.11 48 V C C 41.82 15.12 10.76 25.85 106.33 127.79 -89.15 62.91 90.61 4.22 5.17 77.61 7.90 4.70 2.36 2.88 0.00 2.52 2.03 49 Q C C 112.24 5.44 15.86 22.32 108.04 109.83 -93.81 74.05 87.51 5.83 6.66 66.09 12.92 8.28 2.12 4.59 0.00 3.73 2.28 50 Q C C 113.30 6.20 13.57 20.95 108.65 67.57 -90.96 61.78 85.85 8.47 5.69 54.13 24.18 7.51 1.64 4.28 0.00 5.03 3.22 51 S C C 52.77 8.98 10.55 20.62 119.45 95.00 -98.60 145.42 89.84 7.32 2.84 69.79 15.74 4.13 1.07 1.94 0.00 4.38 2.94 52 Q C T 145.24 1.79 14.32 16.82 105.98 -119.55 -79.82 99.33 89.00 6.63 4.37 24.51 32.52 32.77 1.62 2.54 0.01 4.50 1.52 53 G C T 40.59 5.30 14.44 20.87 122.47 2.28 131.89 -2.61 84.77 10.77 4.46 24.56 29.65 31.44 1.88 2.36 0.02 8.68 1.39 54 W C C 111.71 11.64 10.85 23.10 122.41 -88.78 -103.81 140.97 57.10 37.39 5.50 47.46 6.43 2.22 3.98 1.91 0.04 30.97 6.98 55 V E E 75.74 6.39 16.07 23.90 122.37 -161.16 -117.42 134.79 33.17 57.74 9.09 27.51 3.25 1.85 7.52 2.32 0.04 50.90 6.61 56 H E E 83.79 10.04 13.26 24.46 113.73 -133.30 -87.92 131.02 33.98 49.43 16.60 27.10 4.21 3.12 11.86 4.98 0.05 45.27 3.41 57 Y H E 110.41 8.24 12.74 22.11 103.22 -159.01 -83.84 -9.70 35.77 24.54 39.69 19.77 7.81 10.82 19.66 17.72 0.22 21.54 2.46 58 M C C 115.36 4.35 12.48 18.10 99.67 91.17 -78.18 -11.34 40.33 21.92 37.75 18.74 10.34 14.41 17.98 17.90 0.49 17.17 2.98 59 I C C 111.35 3.59 11.72 16.48 102.38 59.73 -91.25 -6.76 43.79 22.43 33.78 19.63 12.93 14.28 17.86 13.98 1.41 14.71 5.21 60 H C C 103.80 6.11 8.98 16.65 113.22 73.42 -100.78 119.47 72.36 14.87 12.77 39.00 24.46 10.01 7.92 4.60 0.18 8.48 5.34 61 E C C 137.79 2.40 11.25 15.00 113.28 -114.04 -96.11 122.42 92.85 6.24 0.92 59.22 28.92 5.21 0.27 0.68 0.00 3.89 1.82 62 P C C 91.01 4.67 9.18 15.42 109.21 -107.83 -72.05 136.15 96.74 2.21 1.04 43.84 39.66 13.39 0.18 0.95 0.00 1.28 0.70 63 E C C 119.50 3.71 10.28 15.62 116.66 -136.64 -97.76 132.39 94.15 4.22 1.64 55.73 30.08 8.24 0.32 1.45 0.00 1.94 2.26 64 P C T 95.78 3.61 10.48 15.67 105.13 -105.61 -71.38 81.65 92.91 1.34 5.76 21.70 19.06 51.99 0.81 5.19 0.00 0.80 0.45 65 H C T 125.52 4.82 11.31 17.53 105.82 39.74 -90.56 55.38 83.18 9.05 7.77 23.91 17.28 42.99 1.38 6.09 0.01 6.81 1.52 66 I C C 80.36 7.67 11.48 20.76 118.45 112.28 -107.73 126.59 55.55 37.29 7.17 35.79 13.80 6.95 2.74 4.80 0.10 29.01 6.82 67 L C C 88.45 7.11 13.21 21.93 112.71 -148.59 -92.40 121.66 54.22 41.19 4.60 43.34 7.83 3.18 1.83 2.53 0.01 39.02 2.26 68 L E E 85.18 8.06 13.80 23.06 104.27 -160.68 -96.60 -17.36 46.29 50.47 3.24 30.63 13.62 4.09 0.92 2.01 0.01 47.25 1.47 69 F E E 91.40 8.27 13.99 23.51 127.27 1.91 -129.83 143.57 26.98 70.63 2.39 21.13 4.83 2.33 0.86 1.50 0.01 67.18 2.16 70 R E E 126.76 7.72 11.99 21.64 126.48 -169.42 -126.11 141.52 24.95 74.49 0.56 21.09 3.29 0.70 0.24 0.36 0.00 69.71 4.61 71 R E E 132.64 4.98 11.89 18.84 122.11 -162.61 -119.02 136.81 48.21 51.72 0.07 43.86 3.50 0.24 0.01 0.06 0.00 51.29 1.05 72 P C C 92.89 3.99 10.84 16.68 113.48 -106.00 -65.52 145.48 58.99 40.85 0.16 57.26 1.12 0.41 0.05 0.09 0.00 38.05 3.01 73 L C C 110.04 5.89 10.48 17.87 105.40 -114.53 -76.95 97.84 99.78 0.21 0.01 99.64 0.15 0.05 0.00 0.00 0.00 0.14 0.01