# 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 S C C 59.94 7.14 16.65 24.61 119.09 -139.78 -86.75 151.16 99.87 0.11 0.01 99.71 0.14 0.07 0.00 0.00 0.00 0.07 0.01 1 R C C 113.74 10.43 14.46 25.37 112.00 -147.23 -99.83 111.00 86.46 13.30 0.24 80.25 5.06 1.11 0.06 0.16 0.00 11.33 2.02 2 V E B 69.71 7.42 17.85 26.41 123.22 -151.39 -113.90 138.40 17.19 82.64 0.17 13.58 1.44 0.06 0.15 0.03 0.00 14.17 70.57 3 C C C 12.46 19.20 10.89 30.57 110.48 -113.71 -71.22 131.45 87.92 12.03 0.05 89.52 0.59 0.08 0.02 0.02 0.00 6.73 3.05 4 Q C T 112.67 4.58 18.97 24.69 92.79 -144.17 -69.71 -26.66 99.70 0.16 0.14 0.38 3.78 95.60 0.01 0.09 0.00 0.10 0.04 5 V C T 63.84 10.60 16.25 27.32 100.85 41.95 -86.07 -41.45 99.84 0.06 0.10 0.06 1.79 98.06 0.00 0.05 0.00 0.02 0.02 6 T C T 56.91 8.11 15.24 24.70 102.16 19.00 -107.01 -14.00 99.83 0.06 0.12 0.22 2.60 97.07 0.01 0.06 0.00 0.03 0.02 7 G C C 44.64 4.57 16.24 22.10 95.45 -120.22 80.14 6.27 98.77 1.13 0.10 80.89 14.64 3.21 0.03 0.08 0.00 0.58 0.58 8 K C C 91.49 7.41 13.59 22.82 119.00 135.93 -80.77 146.84 84.75 15.15 0.10 75.48 8.31 0.18 0.05 0.05 0.00 5.08 10.85 9 R C C 142.87 4.72 16.57 22.95 120.28 -130.92 -99.93 140.12 69.00 30.91 0.08 62.18 6.92 0.14 0.05 0.05 0.00 18.48 12.18 10 P C C 54.86 14.38 11.37 25.64 115.68 -106.18 -67.89 147.36 82.13 17.82 0.04 74.07 7.31 0.24 0.01 0.04 0.00 17.62 0.71 11 V E E 81.04 6.69 16.05 24.09 120.91 -146.67 -112.48 137.57 22.74 77.18 0.09 20.23 2.09 0.17 0.04 0.06 0.00 73.69 3.73 12 T E E 85.17 6.75 12.86 21.60 124.58 -159.23 -118.92 141.48 10.78 89.14 0.07 10.02 0.72 0.09 0.03 0.04 0.00 87.54 1.56 13 G E E 33.27 6.43 12.67 20.88 135.18 164.12 -147.87 173.73 18.13 81.68 0.19 15.60 2.26 0.33 0.07 0.11 0.00 80.69 0.95 14 N E E 105.23 3.89 12.69 18.40 121.79 -94.43 -113.41 141.41 27.43 72.12 0.45 22.96 3.94 0.75 0.16 0.27 0.00 70.73 1.21 15 N E E 89.85 6.87 10.12 18.65 119.26 -159.87 -107.96 136.44 42.49 56.29 1.22 32.73 8.52 2.13 0.41 0.76 0.00 53.93 1.51 16 R C E 154.64 2.85 10.47 15.17 117.79 -149.03 -106.97 131.93 50.74 46.27 2.99 39.33 9.10 2.77 1.60 1.56 0.02 42.35 3.27 17 S C C 56.67 5.44 7.59 14.85 121.53 -158.82 -100.49 157.64 66.25 29.64 4.11 54.14 7.50 3.84 1.78 2.26 0.01 27.52 2.97 18 H C T 167.98 0.88 8.74 10.07 96.00 -111.41 -70.01 -21.35 75.46 7.76 16.78 26.54 19.13 31.50 4.12 11.32 0.03 5.82 1.55 19 A C T 88.75 1.18 8.31 9.97 101.35 54.07 -87.79 3.87 82.07 2.25 15.68 26.46 18.96 37.47 3.71 11.19 0.01 1.41 0.79 20 L C C 131.45 1.89 8.69 11.92 101.21 -100.06 -14.65 39.87 79.26 5.89 14.84 32.65 22.01 26.05 3.30 10.60 0.01 3.80 1.58 21 N C C 103.76 2.54 8.98 13.20 116.57 145.11 -90.40 135.92 77.01 18.83 4.16 47.35 12.04 17.86 1.07 2.89 0.00 16.59 2.19 22 A C C 74.03 4.77 8.89 15.55 116.74 -144.11 -96.61 136.16 57.32 40.52 2.16 45.24 8.33 3.38 0.76 1.50 0.01 37.26 3.52 23 T C E 76.43 4.10 11.47 17.32 122.01 -161.88 -112.09 142.82 50.00 49.16 0.83 39.16 8.23 2.02 0.23 0.61 0.00 48.31 1.43 24 K E E 130.16 5.17 11.28 18.56 117.41 -131.00 -94.41 133.70 38.33 61.41 0.26 33.05 3.42 0.58 0.06 0.17 0.00 62.07 0.64 25 R E E 108.50 7.52 12.62 21.91 127.14 -174.73 -124.11 144.43 15.52 84.43 0.06 14.16 0.92 0.10 0.01 0.03 0.00 84.22 0.55 26 R E E 132.47 6.37 14.62 22.76 118.35 -139.80 -103.24 132.15 5.46 94.52 0.02 5.22 0.25 0.02 0.00 0.01 0.00 93.82 0.68 27 F E E 64.10 12.50 13.33 26.89 123.34 -167.66 -117.79 137.64 11.44 88.53 0.03 10.87 0.55 0.04 0.01 0.01 0.00 84.92 3.59 28 L C C 86.10 6.81 18.47 26.31 114.49 -141.58 -99.83 124.14 78.13 21.74 0.13 73.50 3.37 0.29 0.02 0.12 0.00 22.27 0.43 29 P C C 37.44 15.39 14.56 29.93 114.29 -123.90 -70.55 151.06 86.10 13.21 0.68 50.62 23.63 10.50 0.04 0.94 0.00 13.85 0.42 30 N C C 69.83 8.58 18.99 28.16 104.23 -118.74 -80.05 83.81 63.56 35.69 0.74 38.98 13.92 9.83 0.05 0.98 0.00 35.43 0.83 31 L E E 52.77 14.49 14.31 29.17 117.42 142.57 -95.63 131.72 18.72 81.25 0.03 17.22 1.22 0.06 0.00 0.02 0.00 80.79 0.69 32 H E E 70.02 9.74 17.59 28.55 126.11 -170.43 -120.75 142.53 3.19 96.81 0.00 2.81 0.22 0.01 0.00 0.00 0.00 96.86 0.08 33 S E E 55.90 9.78 16.26 27.01 122.74 -146.62 -111.19 139.40 1.53 98.47 0.00 1.31 0.07 0.00 0.00 0.00 0.00 98.60 0.01 34 H E E 49.37 12.20 14.73 28.42 131.86 -175.95 -136.65 150.00 0.77 99.23 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.29 0.01 35 R E E 127.76 6.32 17.29 25.09 118.12 -132.80 -103.08 131.49 0.30 99.70 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 36 F E E 38.94 13.93 13.41 28.59 131.05 178.27 -132.79 152.08 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 37 W E E 121.94 5.18 16.50 23.15 114.92 -126.64 -95.01 128.56 0.51 99.49 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 38 V E E 25.57 11.87 9.76 23.63 111.37 -154.38 -100.81 116.43 5.86 94.12 0.02 5.17 0.37 0.04 0.00 0.01 0.00 94.18 0.22 39 E C T 130.45 2.74 12.08 16.40 94.55 -154.72 -65.58 -33.54 88.26 0.51 11.23 0.63 3.16 83.68 0.20 11.92 0.00 0.32 0.10 40 S C T 93.37 0.81 11.93 12.19 94.05 48.98 -70.67 -32.25 88.07 0.19 11.73 0.53 2.64 83.74 0.21 12.71 0.00 0.10 0.06 41 E C T 109.07 3.25 10.33 14.97 100.55 31.98 -101.60 -1.63 88.78 0.13 11.09 0.82 2.96 82.76 0.18 13.17 0.00 0.07 0.04 42 K C T 161.56 1.88 11.85 15.21 94.95 -130.41 54.95 38.87 99.56 0.17 0.27 4.29 2.88 92.46 0.04 0.19 0.00 0.13 0.02 43 R E E 122.17 3.28 13.41 18.45 129.94 120.30 -126.83 154.26 9.27 90.71 0.02 7.50 1.15 0.11 0.00 0.01 0.00 91.02 0.19 44 F E E 115.81 7.86 12.55 21.94 116.70 -118.15 -89.15 135.62 0.78 99.22 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.01 45 V E E 41.53 11.46 14.11 27.26 125.84 -170.90 -124.27 140.18 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 46 T E E 73.50 8.62 17.39 27.19 119.54 -144.94 -107.97 132.45 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 47 L E E 26.14 16.79 16.03 33.39 129.34 -176.63 -127.85 146.13 0.46 99.54 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.61 0.00 48 R E E 105.69 9.51 23.13 32.97 117.19 -135.43 -96.76 130.24 0.44 99.55 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 49 V E E 8.48 22.28 16.94 39.23 132.54 175.07 -131.95 151.62 1.40 98.60 0.00 1.30 0.03 0.00 0.00 0.00 0.00 98.60 0.06 50 S E E 20.28 11.43 21.14 33.76 118.13 -109.22 -73.07 155.83 19.38 80.60 0.02 19.22 0.44 0.02 0.01 0.01 0.00 79.87 0.43 51 A H H 41.61 12.12 18.70 31.50 91.76 -114.10 -59.52 -36.74 10.90 0.12 88.97 0.90 1.16 8.03 73.45 16.28 0.05 0.09 0.03 52 K H H 117.72 3.42 24.23 27.72 91.58 55.44 -63.77 -38.81 6.79 0.04 93.18 0.33 0.44 5.53 77.25 16.40 0.01 0.02 0.01 53 G H H 6.93 18.04 17.77 36.27 91.53 51.15 -65.47 -38.80 5.28 0.04 94.67 0.47 0.42 3.84 76.49 18.74 0.01 0.03 0.01 54 M H H 26.10 20.50 17.27 37.02 91.85 53.24 -65.00 -37.77 11.94 0.80 87.26 3.69 1.77 6.11 74.63 12.97 0.03 0.63 0.17 55 R H H 130.91 4.07 22.84 27.05 91.65 56.14 -64.35 -35.17 41.78 2.35 55.87 6.27 3.95 30.74 47.95 8.53 0.19 1.81 0.57 56 V H H 54.84 7.07 19.51 27.68 93.45 51.99 -73.00 -28.98 47.43 3.76 48.82 11.86 5.40 29.74 42.62 6.52 0.14 2.84 0.88 57 I H H 16.96 20.91 11.93 32.20 95.06 62.19 -68.45 -34.55 34.11 4.35 61.54 20.84 8.58 6.45 57.54 2.86 0.08 2.30 1.34 58 D H H 85.39 7.21 16.41 24.49 95.05 56.09 -67.70 -39.49 32.01 2.05 65.95 16.92 4.74 11.67 57.93 6.73 0.08 1.34 0.59 59 K H H 157.83 1.08 17.44 17.23 95.92 38.60 -75.18 -35.47 28.63 0.48 70.89 5.30 4.67 18.83 63.74 6.84 0.15 0.25 0.22 60 K H H 115.35 4.51 15.47 20.82 99.84 31.55 -100.47 -9.58 30.99 0.77 68.23 5.63 8.07 19.28 60.71 5.26 0.28 0.31 0.47 61 G C C 17.43 6.76 18.30 27.06 125.99 -119.04 90.85 169.32 80.54 1.40 18.06 67.09 5.82 5.69 18.92 1.23 0.00 0.55 0.70 62 I H H 33.27 20.21 13.43 33.10 91.65 -83.61 -60.07 -38.35 2.92 0.02 97.06 1.02 0.45 1.23 96.90 0.38 0.00 0.01 0.01 63 D H H 97.93 3.42 20.59 24.84 91.37 53.94 -63.55 -39.32 1.38 0.02 98.60 0.40 0.14 0.72 98.39 0.33 0.00 0.01 0.00 64 T H H 63.44 4.00 21.24 25.21 91.92 49.17 -65.63 -40.97 0.50 0.01 99.49 0.15 0.04 0.24 99.33 0.23 0.00 0.00 0.00 65 V H H 11.70 18.26 16.56 35.41 91.76 49.93 -64.03 -43.65 0.19 0.00 99.80 0.05 0.01 0.09 99.81 0.04 0.00 0.00 0.00 66 L H H 35.52 14.67 18.49 33.44 91.51 49.41 -63.96 -42.43 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 67 A H H 52.11 2.70 21.43 23.41 91.16 50.38 -63.09 -41.95 0.20 0.00 99.80 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 68 E H H 78.54 5.44 19.23 25.55 91.78 49.50 -64.94 -41.29 0.45 0.00 99.55 0.06 0.02 0.27 99.60 0.05 0.00 0.00 0.00 69 L H H 18.43 15.32 12.76 29.21 91.69 50.75 -63.97 -41.64 1.06 0.01 98.92 0.20 0.08 0.63 98.90 0.17 0.00 0.00 0.00 70 R H H 134.82 4.25 15.21 20.83 91.66 50.72 -64.01 -40.09 2.51 0.02 97.47 0.39 0.17 1.70 97.28 0.44 0.00 0.01 0.01 71 A H H 83.35 1.44 14.00 15.44 91.19 53.14 -66.26 -29.38 10.85 0.05 89.10 0.65 0.56 9.39 88.77 0.58 0.02 0.02 0.02 72 R C T 136.38 3.81 11.75 17.05 94.01 50.14 -87.56 -1.07 72.02 0.09 27.88 1.17 2.25 65.93 29.66 0.89 0.01 0.03 0.06 73 G C T 60.40 1.17 13.55 14.61 97.24 -107.37 80.02 11.91 96.63 0.15 3.22 5.67 5.17 85.94 2.54 0.53 0.00 0.08 0.06 74 E C C 85.26 8.41 8.39 18.25 115.45 140.33 -86.69 137.75 96.02 1.13 2.85 81.14 9.77 5.30 1.33 1.31 0.00 0.61 0.54 75 K C C 153.40 2.10 13.62 16.90 112.49 -141.38 -94.97 127.20 95.13 2.48 2.39 88.08 2.80 4.74 0.97 0.96 0.00 1.45 1.00 76 Y C C 104.37 11.93 11.67 23.64 118.58 104.42 -107.08 142.03 99.84 0.15 0.01 99.78 0.09 0.03 0.00 0.00 0.00 0.08 0.01