# 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 101.65 6.64 12.37 20.27 118.01 -163.37 -100.62 137.37 99.84 0.13 0.04 99.82 0.06 0.03 0.02 0.00 0.00 0.05 0.02 1 A C C 67.76 4.69 10.28 16.46 108.71 -126.05 -78.48 131.67 68.89 5.01 26.10 65.20 1.10 3.58 23.10 2.37 0.00 2.52 2.13 2 I H H 107.78 4.53 9.63 15.64 101.76 -158.55 -77.52 -18.08 38.24 3.07 58.69 25.93 6.78 8.07 47.23 9.08 0.04 1.92 0.95 3 K H H 126.37 3.86 11.27 16.56 101.91 62.44 -79.72 -16.71 25.94 2.19 71.88 14.49 4.95 7.95 55.38 15.04 0.06 1.55 0.57 4 D H H 88.50 4.82 11.46 17.81 100.64 63.08 -78.44 -10.82 22.06 1.50 76.44 11.78 3.67 7.17 57.13 18.77 0.05 1.03 0.41 5 L H H 96.12 6.04 11.91 19.24 98.13 71.13 -77.51 -19.78 28.66 1.40 69.94 10.10 5.40 13.93 54.60 14.40 0.17 0.84 0.56 6 A H H 62.89 6.42 13.22 20.76 98.53 60.67 -83.39 -13.29 47.26 2.03 50.71 11.00 13.37 25.33 40.19 7.61 0.40 0.90 1.21 7 F C S 111.59 6.75 12.89 20.99 113.58 60.97 -107.33 108.24 98.55 1.02 0.43 28.38 69.57 0.78 0.30 0.09 0.00 0.33 0.55 8 P C C 47.41 10.09 10.30 21.86 118.46 -133.28 -71.14 154.27 98.51 1.25 0.24 93.48 4.71 0.32 0.15 0.06 0.00 0.45 0.83 9 T C C 73.38 2.44 15.64 18.08 117.87 -105.11 -71.49 159.78 99.00 0.65 0.35 97.91 1.03 0.12 0.26 0.03 0.00 0.15 0.49 10 A H H 72.55 4.45 10.82 17.00 92.14 -106.33 -58.34 -38.73 4.08 0.03 95.89 1.21 0.72 2.15 94.59 1.30 0.00 0.01 0.01 11 E H H 135.07 1.05 13.77 14.07 91.80 52.28 -65.10 -39.86 2.78 0.06 97.16 0.88 0.33 1.66 95.38 1.70 0.01 0.04 0.01 12 E H H 99.33 2.62 13.58 16.97 92.33 48.66 -66.50 -39.82 1.80 0.10 98.09 0.72 0.25 0.95 96.01 1.96 0.01 0.09 0.01 13 L H H 59.33 7.83 11.29 20.84 92.42 51.06 -65.21 -40.59 2.43 0.12 97.45 0.94 0.36 1.27 96.16 1.15 0.01 0.08 0.02 14 R H H 132.33 3.12 14.69 18.62 92.35 51.38 -64.84 -39.78 6.65 0.20 93.15 1.85 0.69 4.06 92.01 1.20 0.02 0.12 0.05 15 T H H 81.29 1.80 15.76 16.98 93.20 49.66 -66.76 -39.65 13.94 0.24 85.82 2.87 1.38 9.13 84.96 1.42 0.03 0.12 0.08 16 T H H 67.33 4.86 14.72 20.75 94.15 49.63 -69.28 -36.00 27.24 0.63 72.13 8.70 4.58 13.64 70.78 1.73 0.03 0.27 0.27 17 C H H 48.96 9.40 11.97 22.53 96.00 55.69 -72.18 -29.70 48.20 1.81 49.99 25.46 7.18 15.23 47.90 2.63 0.02 0.89 0.68 18 K C H 122.00 3.94 14.95 19.98 98.06 64.77 -72.02 -31.14 50.94 3.55 45.51 32.00 7.51 11.83 40.81 4.62 0.03 2.01 1.19 19 R H H 140.92 4.36 14.47 20.00 99.61 60.07 -76.49 -21.79 43.69 4.77 51.54 24.15 8.35 12.41 40.41 10.11 0.08 3.17 1.32 20 K H H 110.44 7.56 13.93 22.41 100.91 57.15 -78.81 -8.27 46.84 6.31 46.85 23.76 8.65 14.93 33.47 12.99 0.12 4.51 1.58 21 R C C 129.76 6.89 15.55 23.33 103.07 75.23 -80.94 34.42 52.38 10.02 37.59 24.92 10.96 16.99 24.80 12.57 0.18 7.35 2.23 22 L C C 72.38 10.46 15.11 26.13 103.79 79.42 -87.44 2.25 60.00 14.64 25.36 29.49 18.56 13.45 17.32 7.25 0.31 8.88 4.75 23 I C C 57.47 12.34 12.43 25.60 115.89 72.23 -99.81 125.49 83.58 9.11 7.31 44.77 32.02 7.32 4.66 2.60 0.02 5.84 2.76 24 P C C 82.76 6.24 14.75 22.24 103.03 -133.32 -70.67 10.45 90.12 3.85 6.03 61.95 16.79 11.46 2.12 3.88 0.00 2.63 1.18 25 Q C C 100.09 5.82 13.45 20.62 119.96 68.49 -108.52 140.02 90.35 4.28 5.37 58.29 22.54 9.16 1.32 4.12 0.00 2.02 2.53 26 N C T 104.84 5.35 13.31 20.03 102.57 -113.76 -71.59 5.89 94.38 1.05 4.57 18.32 19.84 55.89 0.59 4.31 0.00 0.61 0.45 27 N C T 103.44 5.25 15.10 21.50 100.97 43.83 -88.96 23.47 95.12 1.90 2.98 20.53 21.15 53.30 0.35 2.91 0.00 1.22 0.54 28 S C C 33.58 13.38 13.30 27.39 119.69 120.64 -94.95 144.50 87.09 10.85 2.05 60.57 19.08 7.11 0.37 2.04 0.00 8.35 2.48 29 Y C C 95.33 10.99 18.85 30.09 111.79 -164.55 -104.69 107.60 76.41 22.83 0.76 39.17 33.46 4.56 0.12 0.73 0.00 20.49 1.47 30 F E E 59.12 15.69 17.71 33.09 122.71 60.56 -108.67 138.36 31.02 68.68 0.29 24.42 5.51 0.95 0.05 0.27 0.00 67.88 0.91 31 L E E 33.18 15.62 19.30 35.11 125.57 -167.66 -120.92 140.57 8.23 91.71 0.05 6.72 1.22 0.12 0.01 0.04 0.00 91.71 0.19 32 Y E E 100.75 10.68 22.43 33.01 116.81 -130.89 -99.12 127.88 2.11 97.86 0.03 1.79 0.22 0.04 0.01 0.02 0.00 97.88 0.06 33 L E E 18.20 20.02 16.63 36.63 126.22 -172.69 -123.98 138.00 2.94 97.04 0.02 2.69 0.12 0.01 0.00 0.01 0.00 97.05 0.11 34 R E E 120.66 6.87 22.49 29.98 119.17 -145.17 -103.46 131.94 13.00 86.95 0.05 11.66 0.87 0.09 0.01 0.03 0.00 86.49 0.85 35 C C C 11.85 20.99 10.61 31.27 114.88 -133.19 -84.77 135.75 85.52 14.39 0.09 82.70 2.18 0.32 0.01 0.08 0.00 13.88 0.83 36 K C T 137.58 3.20 19.19 22.70 101.06 -113.13 -63.48 58.26 97.42 1.26 1.32 1.56 12.75 82.99 0.04 1.50 0.00 0.99 0.18 37 S C T 71.79 5.40 16.72 22.79 96.18 24.99 49.00 -1.31 97.97 0.96 1.07 0.88 12.32 84.75 0.02 1.21 0.00 0.70 0.12 38 C C C 26.68 16.28 9.89 25.92 130.09 70.91 -126.27 154.05 77.51 20.95 1.54 45.38 26.54 6.66 0.22 1.67 0.01 15.34 4.17 39 D C S 106.21 3.10 17.88 21.44 96.32 -142.60 -84.51 -14.50 82.89 16.89 0.22 18.08 58.75 5.35 0.02 0.25 0.00 16.85 0.70 40 I E E 78.02 7.60 17.76 26.36 121.22 67.07 -109.27 137.77 49.25 50.60 0.16 26.94 20.47 1.95 0.02 0.16 0.00 49.84 0.63 41 I E E 52.66 15.74 15.81 31.62 119.15 -154.49 -108.78 128.27 14.75 85.23 0.02 13.87 0.51 0.04 0.00 0.01 0.00 85.40 0.18 42 I E E 46.55 12.99 19.99 33.58 122.80 -169.17 -116.93 137.16 1.13 98.86 0.01 0.99 0.05 0.00 0.00 0.00 0.00 98.93 0.03 43 L E E 59.15 12.91 21.63 34.63 119.13 -138.31 -99.36 133.44 0.53 99.47 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.02 44 A E E 12.95 19.60 17.79 37.51 120.47 -163.72 -109.76 134.79 4.53 95.43 0.04 3.88 0.33 0.04 0.01 0.02 0.00 95.63 0.09 45 Y E E 68.15 12.31 20.09 32.91 120.97 -161.45 -112.67 135.55 23.54 76.00 0.46 18.73 3.90 1.06 0.11 0.33 0.00 75.20 0.67 46 S C C 42.24 12.41 17.29 29.79 113.48 -149.56 -97.17 132.36 68.60 25.58 5.82 25.21 22.91 21.90 0.62 4.89 0.01 23.16 1.30 47 H C T 115.57 6.71 18.60 25.56 100.91 3.48 -82.89 14.26 83.49 8.31 8.20 21.79 29.15 33.23 1.01 7.01 0.00 6.48 1.32 48 S C T 38.27 12.90 13.55 26.83 116.50 106.46 -97.31 143.92 81.70 8.16 10.14 26.56 27.68 28.36 1.26 8.73 0.01 5.85 1.54 49 Q C C 108.19 7.41 17.09 25.23 103.89 -143.24 -91.57 30.34 73.54 21.21 5.26 33.81 21.64 19.21 0.69 4.36 0.01 18.92 1.35 50 T E E 56.20 9.90 17.73 28.38 123.80 116.43 -109.73 146.10 46.55 50.93 2.52 32.08 11.39 3.89 0.52 2.00 0.00 49.05 1.06 51 R E E 106.12 11.78 18.47 30.29 118.99 -131.49 -98.93 133.78 17.50 82.12 0.38 15.41 1.58 0.34 0.13 0.21 0.00 81.45 0.87 52 R E E 44.01 17.01 17.51 34.59 124.53 -169.80 -120.77 137.05 7.62 92.22 0.17 6.56 0.87 0.19 0.06 0.10 0.00 91.64 0.59 53 T E E 60.32 8.80 22.17 31.30 119.35 -137.14 -99.59 133.90 10.84 89.06 0.10 9.61 0.95 0.13 0.04 0.06 0.00 86.00 3.21 54 C C C 10.65 20.72 11.70 32.66 112.67 -116.45 -74.37 133.48 83.20 16.72 0.07 81.64 1.56 0.18 0.01 0.05 0.00 15.40 1.14 55 P C T 75.93 7.78 17.64 26.19 107.41 -113.81 -63.69 133.57 97.95 0.85 1.20 2.00 13.22 82.55 0.04 1.37 0.00 0.67 0.15 56 G C T 56.74 2.30 17.13 19.57 98.51 19.49 83.91 -4.92 98.18 0.64 1.18 1.24 12.86 83.97 0.03 1.31 0.00 0.44 0.15 57 C C T 45.98 11.69 11.58 23.74 122.31 47.84 -124.99 154.91 93.95 4.25 1.80 19.43 35.12 39.18 0.11 2.24 0.00 2.69 1.22 58 N C C 123.20 2.65 17.68 21.09 95.00 -133.25 -81.81 4.67 96.14 3.39 0.47 44.49 39.33 12.18 0.06 0.53 0.00 2.89 0.51 59 M C C 74.04 9.14 16.73 27.13 118.49 121.59 -82.47 142.07 70.00 29.79 0.21 46.61 22.58 1.29 0.04 0.21 0.00 27.18 2.09 60 V E E 50.80 12.98 19.10 32.67 111.38 -118.19 -80.71 126.06 4.36 95.63 0.01 4.26 0.18 0.01 0.00 0.01 0.00 92.85 2.68 61 M E E 16.40 20.27 19.95 40.28 99.20 -161.82 -90.47 -28.18 9.06 90.94 0.01 4.73 4.11 0.08 0.00 0.00 0.00 91.02 0.05 62 L E E 9.17 22.10 17.54 39.95 136.82 13.28 -143.49 148.19 1.01 98.99 0.00 0.85 0.09 0.00 0.00 0.00 0.00 99.03 0.02 63 M E E 78.09 7.87 23.43 31.87 125.21 -163.82 -127.49 134.20 0.66 99.34 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 64 P E E 52.02 15.03 12.17 27.09 113.29 -113.42 -70.10 138.44 3.39 96.61 0.00 3.05 0.09 0.01 0.00 0.00 0.00 96.77 0.07 65 K E E 119.00 4.01 13.26 19.27 121.06 173.61 -135.29 123.68 12.76 87.02 0.21 9.02 3.32 1.00 0.05 0.20 0.00 84.74 1.66 66 G C T 69.19 0.37 13.53 11.59 94.64 -14.17 57.46 33.73 99.14 0.41 0.45 0.51 9.55 89.02 0.00 0.57 0.00 0.29 0.05 67 G C T 54.46 3.92 12.34 17.46 95.67 -47.75 81.06 2.27 99.39 0.16 0.45 0.67 9.68 88.92 0.01 0.60 0.00 0.11 0.02 68 K E E 112.41 3.82 16.90 22.18 127.77 95.11 -119.22 147.05 10.97 88.95 0.08 6.91 3.67 0.94 0.01 0.07 0.00 87.40 1.00 69 A E E 20.84 19.47 11.76 30.96 115.50 -118.99 -82.98 135.80 5.24 94.75 0.01 4.71 0.21 0.02 0.00 0.00 0.00 94.97 0.07 70 R E E 104.42 6.31 22.81 29.66 124.47 -167.77 -119.95 140.59 3.12 96.87 0.01 2.86 0.13 0.01 0.00 0.00 0.00 96.91 0.08 71 I E E 44.75 19.05 12.36 30.78 114.19 -124.50 -88.28 129.27 8.31 91.61 0.09 7.95 0.34 0.06 0.04 0.03 0.00 90.06 1.52 72 E C C 93.20 7.03 16.73 24.95 124.34 -171.49 -117.09 148.29 72.54 25.64 1.82 62.37 6.04 2.62 0.28 1.69 0.00 25.99 1.01 73 G C T 53.42 1.96 17.44 19.27 113.74 -0.91 75.80 -143.76 76.42 20.78 2.80 12.92 27.47 37.07 0.20 2.76 0.00 18.37 1.20 74 D C T 111.26 2.90 17.44 20.92 102.28 -12.07 -85.64 48.97 80.82 16.83 2.35 25.93 21.28 33.85 0.17 2.48 0.00 15.58 0.72 75 V C C 27.44 20.54 9.35 28.54 119.08 144.74 -96.56 135.62 72.47 26.81 0.72 64.64 5.94 1.00 0.17 0.58 0.00 26.22 1.45 76 K E E 113.11 4.63 23.32 28.36 121.22 -162.12 -111.62 136.94 46.70 52.75 0.54 42.34 3.14 0.65 0.21 0.34 0.00 50.92 2.40 77 I E E 44.83 20.65 13.25 32.71 126.78 -166.28 -119.63 140.31 33.46 65.90 0.64 30.21 2.36 0.52 0.34 0.34 0.00 63.81 2.43 78 K E E 91.38 7.21 20.18 28.34 129.08 -174.56 -128.65 147.00 28.18 70.95 0.87 25.59 1.79 0.49 0.57 0.38 0.00 67.34 3.84 79 K E E 106.23 10.04 15.69 26.43 116.71 -124.73 -87.40 134.56 37.11 60.24 2.65 32.92 2.66 0.98 1.88 1.05 0.00 55.25 5.26 80 I C C 63.86 12.16 11.13 23.92 115.57 -137.63 -91.90 134.61 73.75 16.97 9.28 65.89 5.24 2.54 4.50 4.42 0.00 15.91 1.50 81 K C C 142.09 3.12 13.11 17.51 109.17 -146.73 -86.12 122.36 66.81 8.54 24.65 45.59 12.77 8.82 6.76 17.79 0.01 7.18 1.08 82 R C C 148.14 4.09 10.73 16.40 110.44 20.65 -93.93 109.65 66.06 7.43 26.50 41.37 13.71 11.54 5.98 20.49 0.02 5.70 1.20 83 L C C 98.49 5.95 9.24 16.71 112.22 -150.73 -91.88 120.23 64.37 11.29 24.35 47.23 8.63 8.92 6.30 18.05 0.01 8.39 2.46 84 V C C 95.84 5.14 7.84 14.55 112.72 -148.38 -93.36 123.08 80.57 8.10 11.34 72.56 2.68 6.09 5.71 4.87 0.00 5.47 2.63 85 E C C 147.18 1.99 11.59 14.76 107.81 -127.80 -85.78 105.89 99.88 0.07 0.05 99.75 0.08 0.09 0.03 0.00 0.00 0.04 0.01