# 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 110.67 6.01 12.44 19.87 117.04 -159.36 -99.58 133.49 99.85 0.13 0.01 99.85 0.06 0.02 0.01 0.00 0.00 0.06 0.01 1 V C C 97.62 4.59 10.75 17.01 115.21 -135.25 -89.22 133.40 77.17 8.38 14.46 73.60 1.13 2.88 12.82 1.70 0.00 4.75 3.12 2 L C C 95.67 6.39 9.25 17.11 110.29 -141.90 -86.25 124.71 71.17 5.25 23.57 57.45 7.49 5.11 22.04 3.15 0.00 3.15 1.61 3 V C C 79.52 6.11 10.56 18.12 109.89 130.52 -92.44 109.38 53.32 5.13 41.55 44.15 5.41 4.73 36.23 4.81 0.01 3.18 1.49 4 Q H H 108.67 4.39 12.05 17.79 99.25 76.57 -73.44 -29.20 21.02 2.29 76.69 11.44 4.21 7.00 60.47 14.50 0.08 1.79 0.51 5 D H H 88.59 4.70 12.04 18.14 96.97 56.75 -74.00 -20.27 18.89 1.39 79.72 8.44 3.12 7.76 61.64 17.57 0.08 1.07 0.33 6 L H H 89.60 7.20 11.54 19.81 96.60 62.80 -74.94 -22.91 22.17 0.94 76.88 6.17 3.74 12.31 60.39 16.31 0.15 0.61 0.33 7 L H H 95.39 5.92 12.84 19.89 98.74 51.60 -86.80 -15.11 38.91 1.55 59.53 8.01 11.68 22.33 49.35 6.55 0.46 0.65 0.97 8 H C S 122.31 3.76 13.29 18.40 110.78 40.24 -118.67 96.72 98.58 1.09 0.33 28.26 69.80 0.76 0.23 0.07 0.00 0.38 0.50 9 P C C 53.53 10.63 8.63 20.23 116.97 -156.03 -71.38 150.65 97.91 1.58 0.50 91.17 6.09 0.67 0.33 0.14 0.00 0.62 0.99 10 T C C 78.20 2.24 14.16 16.68 117.89 -109.69 -74.20 160.56 97.93 1.00 1.06 95.62 2.00 0.37 0.90 0.12 0.00 0.28 0.71 11 A H H 81.55 2.29 11.42 14.97 92.26 -104.53 -57.92 -38.93 4.75 0.04 95.21 1.82 0.93 2.07 94.17 0.98 0.00 0.02 0.02 12 A H H 74.80 1.29 13.29 14.18 92.04 52.05 -64.59 -39.93 3.06 0.05 96.89 1.07 0.39 1.66 95.66 1.17 0.01 0.03 0.01 13 S H H 50.11 3.53 12.79 17.85 92.35 49.26 -65.54 -40.10 1.98 0.07 97.96 0.89 0.27 0.94 96.57 1.27 0.00 0.05 0.01 14 E H H 83.59 4.60 12.82 19.24 92.14 51.11 -64.61 -40.82 1.15 0.03 98.82 0.49 0.14 0.52 98.36 0.47 0.00 0.02 0.00 15 A H H 59.14 2.28 15.08 17.63 91.73 50.72 -64.00 -41.13 1.64 0.04 98.33 0.57 0.14 0.83 98.09 0.35 0.00 0.02 0.00 16 R H H 132.60 2.40 15.86 18.51 92.13 49.73 -65.35 -40.60 3.00 0.04 96.96 0.73 0.25 1.81 96.72 0.46 0.00 0.02 0.01 17 K H H 102.91 5.32 15.34 21.86 92.12 50.64 -65.41 -40.11 6.77 0.08 93.15 1.51 0.68 4.31 92.70 0.73 0.01 0.03 0.03 18 H H H 95.46 4.44 15.71 21.24 92.47 51.03 -66.09 -39.16 20.74 0.32 78.95 6.04 2.32 12.06 77.85 1.43 0.02 0.14 0.14 19 K H H 114.71 3.09 17.20 20.67 92.35 52.26 -65.33 -40.02 28.63 0.90 70.47 13.47 3.27 12.02 67.53 2.89 0.02 0.46 0.35 20 L H H 67.82 8.04 15.07 24.47 92.75 52.01 -65.84 -39.44 20.60 1.22 78.18 10.57 3.29 7.37 69.79 7.82 0.03 0.79 0.34 21 K H H 102.79 7.60 15.81 24.38 93.02 54.37 -66.59 -35.47 22.06 1.53 76.41 10.18 3.26 8.76 65.57 10.71 0.04 1.09 0.38 22 T H H 80.28 4.20 17.08 21.82 94.23 53.45 -71.76 -32.95 30.39 1.82 67.79 10.77 4.33 15.11 57.95 9.97 0.09 1.27 0.52 23 L H H 84.23 6.81 15.76 23.54 96.36 54.00 -76.55 -27.11 42.13 3.70 54.16 14.25 9.15 20.59 45.16 7.05 0.26 2.23 1.30 24 V C C 54.68 12.21 11.29 24.03 109.22 71.97 -91.76 104.99 68.12 5.33 26.55 35.71 19.96 12.42 24.10 2.94 0.07 2.48 2.32 25 Q C C 127.24 3.25 14.89 19.30 103.57 -146.75 -83.90 17.08 87.86 2.77 9.37 54.47 18.37 14.62 7.35 2.46 0.00 1.47 1.25 26 G C C 33.16 6.15 13.71 21.18 129.72 33.66 -148.68 170.61 95.61 2.43 1.96 49.01 41.39 5.21 0.66 1.17 0.00 0.97 1.59 27 P C T 94.92 4.44 13.88 19.52 102.96 -58.78 -68.79 84.85 94.14 0.56 5.30 11.62 15.96 65.95 0.54 5.33 0.00 0.32 0.27 28 R C T 151.70 4.80 14.98 21.02 102.38 42.30 -83.31 42.59 93.77 1.72 4.51 15.39 14.65 63.27 0.50 4.52 0.00 1.17 0.50 29 S C C 37.04 13.44 12.99 26.91 118.59 134.51 -95.14 140.08 82.06 13.33 4.61 59.95 14.78 7.11 0.77 4.45 0.00 10.77 2.19 30 Y C C 99.95 10.26 18.13 28.83 121.64 -175.48 -117.14 138.58 68.38 30.12 1.50 43.38 20.97 4.49 0.30 1.28 0.00 27.91 1.67 31 F E E 76.19 14.52 16.24 30.54 118.69 -136.72 -103.12 131.99 23.20 76.22 0.59 19.29 3.34 0.79 0.17 0.42 0.00 74.93 1.06 32 L E E 56.81 12.36 17.49 30.39 120.40 -169.66 -116.58 137.79 9.20 90.60 0.19 7.24 1.76 0.28 0.05 0.13 0.00 90.26 0.28 33 D E E 88.15 7.29 20.06 27.79 106.63 -108.36 -84.87 94.04 4.44 95.43 0.13 3.58 0.65 0.16 0.02 0.09 0.00 95.39 0.10 34 V E E 29.22 17.35 14.22 31.79 123.11 -173.55 -118.11 133.83 5.99 93.92 0.08 5.51 0.30 0.06 0.02 0.04 0.00 93.81 0.26 35 K E E 128.47 4.37 21.23 26.71 116.47 -149.05 -102.51 128.73 17.40 82.52 0.09 15.37 1.47 0.17 0.02 0.06 0.00 81.38 1.52 36 C C C 16.53 20.21 10.48 30.00 115.89 -153.00 -97.93 129.45 90.07 9.87 0.06 86.12 3.49 0.23 0.01 0.05 0.00 9.47 0.62 37 P C T 95.09 3.42 17.97 22.05 108.87 -99.71 -60.54 134.64 96.83 1.25 1.93 1.40 7.62 87.62 0.07 2.14 0.00 0.95 0.20 38 G C T 55.86 2.49 16.79 19.66 95.14 16.79 85.36 -2.11 97.51 0.95 1.55 0.99 7.75 88.62 0.05 1.74 0.00 0.75 0.10 39 C C C 28.00 16.98 8.78 25.03 125.41 93.91 -113.38 145.06 66.82 31.97 1.21 52.52 11.80 2.39 0.22 1.29 0.00 26.86 4.92 40 L C S 114.24 3.19 16.64 20.66 98.23 -159.81 -83.22 -26.58 62.66 36.75 0.59 15.76 36.59 10.94 0.06 0.57 0.00 34.78 1.30 41 N C E 99.27 3.84 19.24 23.67 124.15 18.34 -120.84 130.34 50.47 49.03 0.50 18.14 22.91 9.66 0.06 0.44 0.00 48.24 0.55 42 I E E 54.10 17.98 11.97 29.06 118.30 -159.04 -110.04 128.45 28.66 71.24 0.11 26.37 1.37 0.15 0.03 0.06 0.00 71.67 0.35 43 T E E 60.24 8.34 20.63 29.43 114.74 -171.66 -112.74 137.76 6.48 93.34 0.18 5.71 0.45 0.08 0.10 0.06 0.00 93.40 0.20 44 T E E 51.05 13.08 18.98 32.17 125.84 -141.68 -119.58 135.37 2.28 97.58 0.14 2.00 0.14 0.03 0.08 0.03 0.00 97.63 0.10 45 V E E 34.52 15.18 18.04 33.69 120.09 -166.29 -115.86 127.76 4.73 95.08 0.19 3.96 0.50 0.11 0.08 0.08 0.00 95.11 0.17 46 F E E 61.66 12.78 18.18 31.54 118.43 -157.08 -111.15 127.11 19.69 79.76 0.55 16.08 2.77 0.88 0.17 0.34 0.00 78.99 0.76 47 S C T 47.13 10.87 16.84 28.17 111.99 -167.78 -95.34 123.04 66.33 27.49 6.18 22.95 19.17 25.48 0.63 5.29 0.01 25.30 1.16 48 H C T 119.79 6.03 18.72 25.01 99.20 0.21 -67.70 14.22 83.95 8.64 7.41 19.43 27.10 37.82 0.88 6.39 0.01 7.25 1.13 49 A C C 35.06 14.06 13.59 27.80 122.10 93.50 -103.51 144.68 79.93 12.15 7.92 30.60 23.49 26.68 0.97 6.84 0.01 9.92 1.49 50 Q C C 106.11 7.74 18.58 27.01 105.17 -142.14 -95.76 57.95 68.56 29.31 2.12 30.89 21.97 16.55 0.31 1.77 0.00 27.36 1.14 51 T E E 46.82 12.09 19.30 31.78 125.89 107.69 -120.19 146.33 33.42 65.86 0.72 21.12 10.30 2.87 0.14 0.58 0.00 64.31 0.68 52 A E E 29.44 13.88 21.06 35.25 116.88 -119.65 -90.52 137.46 11.03 88.84 0.13 9.81 0.77 0.12 0.03 0.07 0.00 88.88 0.31 53 V E E 10.06 21.42 19.04 40.69 120.34 -157.48 -113.47 129.66 2.95 97.00 0.04 2.59 0.22 0.03 0.01 0.02 0.00 96.98 0.15 54 T E E 45.08 10.50 24.10 35.02 123.55 -163.10 -114.37 138.51 3.99 95.97 0.04 3.68 0.26 0.04 0.02 0.02 0.00 95.04 0.94 55 C C C 9.17 20.62 12.56 33.79 113.22 -116.82 -71.28 138.11 52.42 47.45 0.12 50.19 1.26 0.21 0.03 0.08 0.00 46.74 1.49 56 E C T 120.35 5.17 18.61 24.76 93.53 -128.74 -65.61 -27.16 98.01 1.15 0.84 1.39 11.88 84.72 0.03 0.90 0.00 0.91 0.17 57 S C T 74.74 3.74 17.24 21.63 98.64 41.85 -85.58 -23.24 98.79 0.46 0.75 0.78 10.33 87.65 0.02 0.82 0.00 0.31 0.09 58 C C T 50.81 10.78 12.74 24.02 120.47 14.99 -127.82 134.62 95.93 3.04 1.03 11.37 23.49 61.02 0.06 1.30 0.00 2.15 0.62 59 S C C 83.23 3.70 17.33 22.10 95.12 -139.22 62.39 7.02 94.33 5.19 0.48 53.68 28.73 11.82 0.07 0.54 0.00 4.35 0.80 60 T C C 62.28 7.14 17.84 26.27 117.73 122.59 -83.63 143.11 73.42 26.35 0.24 46.18 25.66 1.89 0.04 0.24 0.00 24.10 1.89 61 I E E 65.64 13.22 18.33 31.94 110.25 -117.12 -78.23 124.73 4.78 95.20 0.02 4.55 0.27 0.02 0.01 0.01 0.00 92.89 2.24 62 L E E 17.21 19.27 19.40 39.00 99.17 175.83 -92.44 -27.50 8.04 91.95 0.01 4.11 3.65 0.14 0.00 0.01 0.00 92.01 0.07 63 C E E 7.61 21.22 17.16 38.87 139.76 8.94 -150.03 153.27 0.93 99.07 0.00 0.76 0.11 0.01 0.00 0.00 0.00 99.09 0.03 64 T E E 66.17 6.60 24.07 31.22 124.77 -154.12 -126.90 136.04 0.75 99.25 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.27 0.01 65 P E E 49.83 16.47 11.88 27.83 113.12 -112.84 -70.12 138.24 3.40 96.59 0.01 3.08 0.11 0.01 0.00 0.00 0.00 96.72 0.08 66 T E E 77.50 4.58 14.12 20.60 121.45 175.53 -135.44 123.84 14.57 85.18 0.26 10.92 3.38 0.96 0.06 0.24 0.00 82.59 1.85 67 G C T 67.82 0.55 14.39 13.07 94.37 -15.39 58.41 31.33 99.03 0.40 0.57 0.57 11.24 87.17 0.01 0.68 0.00 0.28 0.05 68 G C T 51.81 5.13 13.10 19.39 95.85 -47.29 82.11 1.56 99.27 0.16 0.58 0.73 12.00 86.46 0.01 0.67 0.00 0.11 0.03 69 K E E 114.49 3.65 18.25 23.16 128.32 93.38 -119.06 147.22 13.37 86.54 0.10 8.75 4.44 0.96 0.02 0.09 0.00 84.74 1.01 70 A E E 19.69 20.60 11.76 31.82 116.24 -121.30 -81.86 136.14 5.08 94.91 0.01 4.59 0.21 0.02 0.00 0.01 0.00 95.08 0.10 71 K E E 98.72 5.63 23.68 29.91 128.20 -170.19 -126.48 142.98 2.81 97.18 0.01 2.53 0.15 0.02 0.00 0.00 0.00 97.18 0.11 72 L E E 55.23 17.92 13.54 30.67 113.87 -116.96 -78.93 134.62 10.79 89.13 0.08 10.31 0.49 0.07 0.03 0.04 0.00 87.40 1.66 73 S C C 41.76 9.87 15.37 26.36 120.31 -139.13 -87.11 159.71 82.12 16.20 1.68 70.70 6.82 3.41 0.23 1.70 0.00 16.21 0.93 74 E C T 153.31 1.86 16.21 18.43 110.50 -79.34 -66.29 135.52 84.82 12.31 2.87 9.23 19.04 57.12 0.26 2.82 0.00 10.22 1.30 75 G C T 55.47 2.45 16.81 19.58 97.16 20.83 84.55 -2.00 89.61 8.11 2.27 16.40 18.92 54.44 0.19 2.39 0.00 6.93 0.74 76 T C C 32.92 18.16 9.66 26.85 116.67 130.39 -85.54 136.33 84.41 14.27 1.31 71.77 9.72 2.37 0.29 1.20 0.00 12.37 2.29 77 S C C 60.43 6.13 19.02 25.96 124.35 -164.88 -112.31 144.30 68.46 30.40 1.13 54.87 9.55 2.84 0.32 0.99 0.00 26.81 4.63 78 F C C 78.33 15.39 12.47 27.62 124.28 -163.38 -118.08 141.11 55.68 43.18 1.13 43.41 9.06 2.80 0.29 1.01 0.00 40.43 2.99 79 R E E 132.75 5.67 14.78 22.11 123.72 -165.02 -120.39 140.40 43.13 55.97 0.91 36.99 3.84 1.25 0.43 0.64 0.00 50.64 6.21 80 R C C 146.88 6.18 10.85 18.84 116.28 -130.95 -91.15 135.01 53.72 45.76 0.53 52.40 0.97 0.47 0.26 0.25 0.00 40.15 5.50 81 K C C 143.77 3.75 12.88 18.24 111.24 -123.70 -83.06 129.03 99.83 0.16 0.01 99.83 0.05 0.02 0.00 0.00 0.00 0.10 0.01