# 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 122.34 4.13 10.31 16.11 114.58 -162.10 -95.10 126.18 99.90 0.07 0.02 99.83 0.08 0.04 0.01 0.00 0.00 0.03 0.01 1 S C C 76.68 3.41 8.37 13.60 112.29 -152.77 -92.10 136.98 91.82 2.02 6.16 83.28 1.32 8.45 2.83 2.05 0.00 1.15 0.91 2 N C C 122.28 2.05 8.31 11.83 106.79 -148.62 -88.88 64.41 84.64 2.59 12.77 43.74 20.95 20.50 5.97 6.32 0.00 1.31 1.20 3 K C C 146.65 2.25 8.18 12.05 108.91 136.79 -90.08 95.44 78.24 3.27 18.48 40.82 22.96 15.04 10.28 7.76 0.01 1.69 1.44 4 V C C 106.38 2.92 8.19 12.86 111.36 -153.17 -93.44 117.54 76.08 4.91 19.00 49.48 15.70 10.87 12.25 6.98 0.01 2.91 1.81 5 K C C 137.73 3.28 8.54 13.65 112.39 -148.36 -89.89 127.12 77.12 5.68 17.20 54.66 12.82 9.20 12.08 5.70 0.01 3.78 1.76 6 T C C 100.22 2.78 9.16 13.63 111.60 -149.54 -92.50 115.96 75.89 8.71 15.40 54.09 13.20 8.00 11.22 4.88 0.01 6.53 2.07 7 K C C 146.15 2.84 9.62 14.22 112.62 -145.26 -93.66 125.80 70.85 14.80 14.35 50.77 12.15 7.20 10.49 4.58 0.03 11.75 3.04 8 A C C 75.00 4.12 9.40 15.38 114.09 -143.64 -92.84 129.91 71.81 17.12 11.08 54.60 10.05 6.28 7.93 3.63 0.01 14.42 3.08 9 M C C 126.47 4.04 11.25 17.11 113.59 -146.42 -93.36 126.24 76.57 16.40 7.03 55.98 14.62 5.36 4.98 2.55 0.01 11.94 4.55 10 V C C 72.70 8.47 11.38 21.35 117.69 -151.56 -103.16 131.61 90.16 7.57 2.27 64.68 24.77 1.21 2.06 0.48 0.00 4.31 2.50 11 P C C 68.56 6.12 15.58 23.04 113.58 -108.95 -67.13 148.53 94.44 0.60 4.96 87.70 4.29 1.98 5.07 0.48 0.00 0.31 0.18 12 P C H 59.65 11.45 14.72 26.70 98.71 -103.28 -63.38 -31.80 54.17 0.75 45.08 32.65 5.75 14.24 44.12 2.56 0.00 0.35 0.33 13 I H H 62.11 14.15 15.30 28.99 95.02 61.15 -66.63 -33.45 28.14 0.75 71.11 16.31 3.85 8.86 67.72 2.57 0.02 0.35 0.31 14 N H H 85.57 4.53 18.97 23.92 93.06 59.26 -65.94 -36.62 10.52 0.60 88.88 6.61 1.57 3.20 85.62 2.43 0.01 0.41 0.15 15 C H H 43.35 8.85 18.35 28.32 92.85 53.40 -65.78 -40.69 4.65 0.45 94.90 2.31 0.65 2.02 92.95 1.61 0.01 0.37 0.08 16 I H H 18.89 20.15 16.16 35.87 92.37 51.18 -64.53 -42.83 2.14 0.28 97.58 1.07 0.29 0.92 96.48 0.93 0.01 0.27 0.04 17 F H H 80.00 9.43 18.72 28.91 91.63 51.60 -63.01 -41.87 1.28 0.15 98.57 0.67 0.15 0.51 97.78 0.71 0.00 0.16 0.01 18 N H H 82.65 2.75 21.00 23.08 91.80 50.75 -64.13 -41.82 1.56 0.13 98.31 0.65 0.17 0.75 97.47 0.82 0.00 0.12 0.01 19 F H H 36.84 12.56 15.93 29.88 92.14 50.14 -65.14 -41.41 2.28 0.11 97.62 0.73 0.25 1.28 96.48 1.16 0.01 0.09 0.02 20 L H H 38.13 16.48 14.01 30.30 92.22 50.87 -64.57 -40.17 4.64 0.08 95.29 1.08 0.47 2.96 94.10 1.31 0.01 0.05 0.02 21 Q H H 121.00 3.18 16.99 21.04 91.45 52.34 -67.34 -29.98 16.64 0.10 83.26 1.69 1.16 13.51 82.21 1.31 0.02 0.04 0.05 22 Q C T 109.32 3.16 16.18 19.83 94.68 51.59 -87.09 -2.54 67.20 0.20 32.60 3.51 5.97 55.01 33.73 1.56 0.01 0.08 0.13 23 Q C T 119.77 6.34 15.32 23.39 95.27 -121.74 59.67 35.66 95.01 0.32 4.67 17.83 5.89 71.30 4.09 0.62 0.00 0.17 0.10 24 T C C 45.12 10.09 15.62 27.29 118.82 157.25 -92.05 140.15 97.78 2.19 0.04 83.67 14.04 0.18 0.01 0.02 0.00 1.88 0.20 25 P C C 62.04 8.68 21.26 30.33 114.20 -109.94 -70.03 142.93 86.58 13.38 0.04 83.58 1.92 0.14 0.01 0.03 0.00 14.07 0.26 26 V E E 7.87 23.48 15.11 39.04 125.46 -164.43 -120.97 139.30 5.95 94.03 0.01 5.71 0.25 0.02 0.00 0.01 0.00 93.60 0.40 27 T E E 41.33 9.98 25.46 36.18 119.14 -153.74 -110.55 127.58 0.72 99.28 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.24 0.02 28 I E E 7.76 23.73 18.23 42.38 119.97 -165.72 -114.78 127.60 0.50 99.50 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 29 W E E 73.67 10.25 24.51 35.41 118.61 -161.97 -108.84 127.12 1.07 98.92 0.01 1.00 0.05 0.01 0.00 0.00 0.00 98.91 0.03 30 L E E 18.99 19.47 16.33 36.00 118.53 -161.41 -106.78 129.53 6.56 93.29 0.14 5.85 0.51 0.12 0.04 0.07 0.00 93.22 0.19 31 F E E 75.93 9.31 17.58 28.07 112.06 -150.30 -99.34 119.14 29.22 65.72 5.05 20.57 6.54 3.82 1.97 2.78 0.01 63.23 1.07 32 E C T 96.49 8.28 14.33 23.44 106.29 100.59 -84.42 -31.77 58.84 9.34 31.83 16.16 12.80 31.52 5.98 24.40 0.14 7.74 1.26 33 Q C T 128.10 2.72 15.46 18.70 97.68 26.11 -73.38 -17.26 69.92 1.88 28.20 11.55 11.02 47.27 5.91 22.25 0.03 1.25 0.72 34 I C T 84.66 7.46 13.48 22.02 100.47 37.51 -92.83 -2.25 73.68 1.74 24.58 10.26 10.20 53.52 5.84 18.30 0.04 1.17 0.67 35 G C T 35.72 7.05 17.04 25.27 100.03 -119.66 69.94 22.54 88.00 10.62 1.37 26.94 12.81 47.92 0.20 1.07 0.00 10.49 0.56 36 I E E 33.99 14.69 15.32 31.10 120.91 148.37 -103.28 137.38 28.59 71.37 0.04 26.37 1.12 0.12 0.01 0.03 0.00 72.12 0.24 37 R E E 81.01 12.00 22.14 34.24 123.75 -162.11 -116.78 135.90 1.57 98.42 0.00 1.39 0.06 0.00 0.00 0.00 0.00 98.52 0.03 38 I E E 7.47 23.30 18.24 41.93 124.14 -167.16 -120.57 135.09 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 39 K E E 71.24 10.50 26.38 37.17 122.47 -160.39 -112.56 133.90 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 40 G E E 5.04 18.50 21.13 39.81 144.23 131.11 -165.94 -174.98 1.12 98.88 0.00 0.89 0.09 0.00 0.00 0.00 0.00 99.01 0.00 41 K E E 74.72 8.58 26.35 36.11 123.68 -82.01 -116.52 137.76 1.31 98.69 0.00 1.16 0.06 0.00 0.00 0.00 0.00 98.77 0.01 42 I E E 10.45 23.96 14.95 39.69 109.82 -118.19 -75.15 125.23 1.20 98.80 0.00 1.13 0.04 0.00 0.00 0.00 0.00 98.80 0.02 43 V E E 66.73 7.16 23.09 30.99 101.42 174.56 -102.23 -22.66 1.87 98.12 0.01 1.26 0.36 0.06 0.00 0.01 0.00 98.29 0.02 44 G E E 20.57 7.17 23.95 32.28 145.33 -23.62 168.81 169.98 1.21 98.78 0.01 0.75 0.26 0.04 0.00 0.01 0.00 98.93 0.01 45 F E E 61.02 19.45 11.68 30.08 133.69 -152.67 -144.48 151.72 1.35 98.65 0.00 1.26 0.08 0.00 0.00 0.00 0.00 97.61 1.03 46 D C C 59.28 5.47 16.34 23.00 128.38 -141.28 -101.44 174.96 91.29 8.69 0.02 91.77 0.33 0.07 0.00 0.01 0.00 7.38 0.43 47 E C T 158.40 1.75 13.85 16.41 91.66 -85.26 -63.95 -21.51 99.75 0.05 0.21 0.09 2.58 97.09 0.00 0.20 0.00 0.02 0.01 48 F C T 134.01 3.14 15.17 19.01 93.90 51.30 -90.67 2.59 99.76 0.02 0.22 0.14 3.12 96.50 0.00 0.22 0.00 0.01 0.00 49 M C S 60.13 13.77 14.08 28.25 93.69 -110.85 69.00 23.91 98.96 0.73 0.31 46.48 49.57 2.89 0.04 0.31 0.00 0.37 0.34 50 N C C 44.09 9.60 20.31 31.22 116.09 150.64 -80.96 138.67 95.66 4.31 0.02 91.31 4.08 0.37 0.00 0.02 0.00 3.70 0.52 51 V E E 11.33 22.48 17.44 40.19 118.19 -141.80 -104.18 129.04 0.87 99.13 0.00 0.88 0.02 0.00 0.00 0.00 0.00 98.89 0.20 52 V E E 32.43 11.04 25.88 37.89 120.15 -165.06 -114.30 130.20 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 53 I E E 9.08 23.95 16.87 41.22 117.50 -158.91 -108.00 126.17 0.27 99.73 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.01 54 D E E 55.90 8.21 23.34 31.70 123.50 -174.40 -113.16 157.65 3.74 96.25 0.00 2.12 1.11 0.07 0.00 0.00 0.00 96.69 0.01 55 E E E 104.41 5.41 24.34 29.95 99.40 6.47 57.69 52.98 2.41 97.59 0.00 1.51 0.39 0.04 0.00 0.00 0.00 98.04 0.01 56 A E E 10.05 23.45 13.13 36.15 120.49 -167.13 -89.38 143.79 0.81 99.19 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.21 0.00 57 V E E 38.70 9.64 23.88 34.64 125.25 -164.55 -124.79 137.81 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 58 E E E 58.82 14.80 18.55 33.49 114.90 -137.13 -93.88 127.98 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 59 I E E 29.45 13.21 16.71 31.64 122.16 -170.84 -120.65 131.26 6.51 93.47 0.01 5.85 0.31 0.02 0.00 0.01 0.00 93.72 0.09 60 P E E 62.72 6.95 18.57 26.62 114.04 -126.96 -76.38 136.61 17.04 82.80 0.15 14.52 1.68 0.31 0.03 0.09 0.00 83.04 0.33 61 V E E 41.48 13.77 12.13 26.64 123.54 -163.36 -116.97 140.52 26.42 73.09 0.49 22.19 3.60 0.82 0.15 0.31 0.00 71.56 1.38 62 N E E 99.64 3.47 14.05 18.80 116.58 -133.65 -97.09 132.45 33.44 65.93 0.63 28.24 4.03 0.89 0.30 0.40 0.00 59.73 6.41 63 S C C 40.32 8.74 8.36 18.51 121.23 -139.26 -83.81 169.39 88.37 11.03 0.59 83.82 3.18 1.15 0.21 0.34 0.00 9.77 1.53 64 A C T 100.35 0.85 9.67 11.00 92.31 -97.01 -64.66 -24.30 95.96 1.86 2.18 6.72 18.05 71.22 0.32 1.85 0.00 1.45 0.40 65 D C T 121.91 0.70 9.86 10.16 95.29 51.24 -88.79 2.37 97.81 0.31 1.89 3.75 16.24 77.84 0.21 1.67 0.00 0.19 0.11 66 G C S 53.06 2.54 9.63 13.88 97.19 -102.70 82.67 6.47 95.49 2.61 1.90 22.96 64.25 8.58 0.26 1.54 0.00 1.68 0.73 67 K C C 125.98 2.49 10.46 14.69 117.56 131.72 -87.11 142.96 89.71 8.34 1.95 72.85 12.41 4.18 0.66 1.36 0.00 7.11 1.44 68 E E E 123.83 5.12 10.19 17.34 115.38 -118.30 -87.83 134.76 43.62 53.04 3.34 33.31 7.67 3.17 1.60 2.07 0.03 43.69 8.47 69 D E E 74.76 6.56 12.37 20.53 119.95 -165.47 -106.18 137.20 41.83 56.00 2.17 34.76 5.33 1.92 0.75 1.32 0.00 54.31 1.62 70 V E E 88.48 7.67 11.31 20.47 115.70 -151.17 -102.16 130.22 36.32 61.33 2.35 28.72 5.94 2.26 0.68 1.47 0.00 59.69 1.24 71 E E E 107.41 5.99 13.33 20.95 119.42 -152.90 -99.83 139.45 35.70 62.39 1.91 26.63 6.70 2.47 0.44 1.27 0.00 61.67 0.81 72 K E E 138.02 4.17 15.11 21.09 117.52 -128.16 -91.88 137.00 33.92 65.05 1.03 28.15 3.55 1.32 0.24 0.71 0.00 65.06 0.96 73 G E E 26.67 14.70 10.08 24.09 130.06 -161.56 -113.52 163.84 30.80 69.00 0.20 26.16 3.46 0.50 0.05 0.15 0.00 68.48 1.21 74 T E E 81.54 4.49 18.31 23.83 120.38 -113.32 -110.24 136.76 21.58 78.38 0.04 18.77 1.97 0.14 0.01 0.03 0.00 78.36 0.72 75 P E E 84.95 7.98 15.08 24.44 112.38 -110.45 -67.82 135.40 20.06 79.88 0.06 18.15 1.31 0.15 0.02 0.04 0.00 79.03 1.29 76 L E E 55.82 13.73 13.02 27.20 100.27 -173.55 -97.29 -11.84 44.19 55.69 0.13 42.27 1.53 0.19 0.03 0.09 0.00 54.65 1.24 77 G E E 32.94 4.43 19.18 24.37 120.09 -127.91 83.34 -156.26 48.51 51.45 0.04 20.87 26.81 0.65 0.00 0.04 0.00 51.38 0.25 78 K E E 111.69 7.59 17.79 26.46 121.21 -12.77 -107.41 137.44 6.19 93.79 0.02 4.89 0.77 0.05 0.00 0.01 0.00 94.20 0.07 79 I E E 36.69 17.69 15.73 33.42 124.55 -168.15 -124.26 133.25 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.63 0.01 80 L E E 73.35 9.84 22.55 32.79 116.99 -149.37 -102.19 125.58 0.28 99.72 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 81 L E E 20.97 20.72 16.41 36.76 124.31 -171.54 -117.06 136.92 8.86 91.14 0.00 8.62 0.13 0.00 0.00 0.00 0.00 91.07 0.17 82 K C C 98.29 6.57 22.46 29.27 117.93 -138.00 -85.04 144.24 73.44 26.41 0.15 67.72 4.11 0.41 0.02 0.15 0.00 26.91 0.69 83 G H G 25.40 15.90 14.50 29.53 97.50 -116.83 -49.19 -45.96 42.92 3.25 53.82 5.40 12.65 23.89 0.87 54.45 0.01 2.10 0.65 84 D H G 110.66 2.57 20.65 23.27 92.49 58.84 -72.73 -15.77 44.09 1.22 54.69 1.94 7.28 31.66 0.63 57.46 0.00 0.78 0.25 85 N H G 59.31 11.80 17.00 29.45 96.37 56.35 -94.04 0.02 41.70 3.30 55.01 7.38 8.33 24.06 0.79 56.52 0.00 2.47 0.44 86 I E E 23.38 22.23 12.01 33.61 114.38 96.84 -91.38 122.60 12.57 87.24 0.19 11.99 0.71 0.11 0.09 0.09 0.00 86.19 0.82 87 T E E 75.06 5.88 20.86 27.42 103.18 175.53 -102.95 -27.41 9.19 90.74 0.07 7.65 1.28 0.10 0.02 0.04 0.00 90.82 0.10 88 L E E 78.96 6.59 22.15 29.37 134.42 2.76 -146.31 146.33 1.40 98.57 0.02 1.27 0.09 0.01 0.00 0.01 0.00 98.60 0.02 89 I E E 50.38 21.03 13.10 32.82 124.24 -163.97 -125.85 131.57 0.86 99.13 0.01 0.86 0.02 0.00 0.00 0.00 0.00 99.09 0.02 90 T E E 65.68 5.11 20.67 26.80 132.16 175.35 -137.55 153.83 2.27 97.72 0.01 2.03 0.10 0.01 0.00 0.00 0.00 97.80 0.06 91 S E E 63.91 8.97 13.66 23.70 115.13 -108.74 -75.08 141.46 14.11 85.83 0.07 12.33 1.14 0.15 0.02 0.04 0.00 85.95 0.36 92 A C C 56.09 9.68 9.50 20.11 111.57 -135.22 -85.11 136.18 89.09 10.71 0.20 87.20 1.25 0.63 0.04 0.13 0.00 10.36 0.40 93 D C C 123.10 1.42 15.14 16.51 105.94 -116.37 -83.81 90.35 99.87 0.12 0.01 99.69 0.16 0.06 0.00 0.00 0.00 0.07 0.01