# 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 112.65 5.89 13.81 20.99 116.28 -153.48 -97.10 132.64 99.53 0.45 0.02 99.58 0.10 0.03 0.01 0.00 0.00 0.22 0.07 1 V C C 79.68 8.04 8.92 18.20 116.16 -150.64 -97.87 131.09 83.36 11.46 5.18 79.53 1.51 2.44 3.94 1.11 0.00 7.60 3.88 2 S C C 67.85 3.93 10.51 16.04 113.38 -132.25 -84.76 145.62 78.82 9.99 11.19 62.21 9.33 6.39 8.90 3.03 0.01 7.68 2.45 3 K C C 148.83 2.85 10.58 14.88 100.95 -130.25 -76.23 -19.94 64.08 7.69 28.23 35.30 15.63 13.12 22.79 5.83 0.06 5.68 1.58 4 N C C 101.04 3.61 11.57 16.43 100.26 58.47 -83.14 1.90 66.33 4.27 29.40 41.90 11.46 12.36 24.60 5.67 0.02 2.82 1.16 5 L H H 77.24 8.44 9.73 19.29 98.50 91.67 -73.92 -27.51 42.01 3.21 54.78 27.25 7.62 8.61 45.21 8.31 0.04 2.03 0.92 6 H H H 116.84 4.86 12.94 19.04 97.34 59.12 -74.44 -27.85 35.39 3.30 61.32 20.17 7.00 9.95 50.71 9.01 0.07 2.26 0.84 7 N H H 97.55 4.15 13.66 18.78 98.33 55.73 -80.22 -12.67 35.25 3.34 61.41 19.87 7.19 9.89 50.19 9.65 0.08 2.30 0.84 8 F H H 98.03 8.26 12.32 21.67 100.36 60.60 -82.33 -10.86 34.35 4.44 61.21 20.78 6.77 9.00 51.24 8.00 0.08 2.99 1.15 9 Q H H 92.01 7.90 13.60 22.48 99.33 66.17 -76.16 -20.05 40.62 4.42 54.96 24.67 8.36 9.64 47.46 5.85 0.06 2.70 1.26 10 N H H 83.14 7.28 14.49 22.47 99.47 60.53 -83.17 -1.41 45.96 2.55 51.50 30.55 6.65 9.84 45.17 5.42 0.02 1.54 0.81 11 F H H 98.31 8.24 13.91 23.15 101.44 82.44 -77.59 -24.87 25.48 1.55 72.97 12.16 5.49 9.62 59.56 11.54 0.12 0.97 0.53 12 D H H 78.07 7.43 14.97 23.34 97.60 61.73 -73.24 -18.46 23.27 1.32 75.41 9.97 3.88 9.76 58.93 16.07 0.09 0.89 0.42 13 L H H 78.30 9.61 14.50 24.64 96.83 64.10 -77.06 -17.78 27.30 1.10 71.60 7.65 4.46 14.94 55.53 16.12 0.20 0.65 0.45 14 A H H 54.11 8.95 14.94 24.62 97.91 61.44 -79.67 -16.83 42.69 1.50 55.81 8.31 11.24 24.78 44.09 9.49 0.46 0.68 0.94 15 F C S 114.75 6.33 15.22 22.68 110.15 42.37 -111.15 87.31 97.82 1.13 1.05 25.24 71.26 1.45 0.79 0.20 0.00 0.36 0.70 16 P C C 40.67 12.61 9.72 23.12 118.49 -152.86 -73.95 152.44 98.40 1.29 0.32 92.88 5.13 0.38 0.21 0.08 0.00 0.47 0.85 17 T C C 72.70 2.35 16.11 18.27 118.23 -111.73 -73.89 161.56 98.80 0.74 0.46 97.15 1.48 0.16 0.38 0.05 0.00 0.18 0.61 18 E H H 130.96 3.50 11.35 16.74 91.95 -104.48 -58.80 -38.45 4.32 0.04 95.64 1.22 0.80 2.35 94.36 1.24 0.01 0.02 0.01 19 E H H 131.51 1.12 13.58 14.06 91.99 52.35 -65.34 -39.55 3.23 0.07 96.69 1.00 0.38 1.95 94.90 1.68 0.01 0.05 0.02 20 Q H H 86.99 3.23 13.01 17.45 92.28 48.64 -66.22 -40.01 2.26 0.13 97.61 0.88 0.31 1.22 95.38 2.07 0.01 0.12 0.02 21 I H H 56.98 8.13 10.92 20.83 92.21 51.23 -65.33 -40.90 3.04 0.15 96.82 1.19 0.45 1.57 95.42 1.23 0.01 0.10 0.03 22 K H H 118.36 2.97 14.26 18.20 92.07 51.21 -65.51 -38.07 8.42 0.21 91.37 2.17 0.84 5.33 90.01 1.43 0.03 0.12 0.07 23 K H H 130.60 1.85 15.03 16.77 93.63 50.93 -69.72 -35.57 18.37 0.23 81.41 3.18 1.71 12.84 80.33 1.71 0.03 0.10 0.09 24 T H H 70.73 5.86 14.20 21.11 95.99 50.34 -75.36 -28.24 35.36 0.85 63.80 10.13 5.91 19.24 61.94 1.99 0.05 0.36 0.39 25 H C H 83.04 10.05 12.27 23.10 100.68 62.62 -83.03 2.76 58.88 3.47 37.65 31.79 10.28 16.36 35.54 2.93 0.04 1.73 1.34 26 K C C 113.57 5.28 15.01 21.49 105.54 103.23 -79.59 56.18 63.51 6.28 30.21 43.40 8.65 10.25 27.61 4.22 0.03 3.88 1.95 27 T C C 75.02 7.88 14.06 22.78 101.87 63.21 -75.92 -15.20 56.75 6.96 36.29 35.12 9.90 11.69 29.19 7.45 0.05 4.72 1.88 28 K C C 114.65 7.11 15.25 23.19 100.79 57.18 -76.92 -19.27 53.86 9.46 36.69 30.07 10.92 13.42 26.36 10.05 0.16 6.78 2.25 29 N C C 80.12 8.20 15.67 24.62 100.35 58.91 -79.52 -4.40 54.33 13.36 32.31 32.56 10.27 11.75 21.70 10.72 0.14 9.97 2.90 30 L C C 59.37 13.07 14.48 27.61 99.43 85.64 -79.61 -18.82 54.48 18.10 27.42 31.21 12.80 11.38 18.39 8.74 0.33 12.07 5.09 31 Y C C 91.41 11.80 13.53 25.75 109.84 69.34 -93.53 92.44 66.23 13.81 19.96 34.86 16.96 15.37 13.15 6.55 0.23 8.98 3.92 32 A C C 71.13 5.18 16.04 22.08 98.05 137.97 -78.65 -16.83 82.26 6.72 11.03 35.21 28.10 20.10 5.15 5.23 0.03 4.18 2.00 33 V C S 68.49 7.22 13.72 22.59 120.28 50.54 -116.29 129.49 91.18 6.48 2.34 38.95 46.44 5.93 0.91 1.29 0.00 3.19 3.28 34 P C T 81.63 7.33 14.24 22.73 100.83 -116.60 -65.80 -4.94 95.42 0.99 3.59 13.26 13.54 68.41 0.47 3.30 0.00 0.67 0.35 35 T C T 84.92 6.25 16.92 23.93 102.35 48.80 -91.72 32.93 94.82 2.17 3.01 13.15 14.01 67.47 0.37 2.87 0.00 1.61 0.53 36 G C C 17.59 14.24 14.69 29.41 124.52 121.46 -101.75 158.44 82.20 14.90 2.90 52.92 20.99 8.40 0.46 2.89 0.00 11.88 2.47 37 Y C C 79.25 12.27 20.64 33.02 123.41 -143.42 -117.64 142.37 62.44 36.68 0.87 42.66 16.62 3.36 0.18 0.81 0.00 34.40 1.97 38 F E E 48.45 18.10 18.36 35.76 122.72 -142.23 -109.77 138.21 20.78 79.02 0.20 17.48 2.39 0.39 0.05 0.16 0.00 78.32 1.21 39 M E E 36.16 15.39 20.69 36.25 125.93 -165.60 -119.91 143.63 7.01 92.95 0.03 6.13 0.61 0.06 0.01 0.02 0.00 92.87 0.29 40 Q E E 81.00 11.45 22.74 33.93 114.76 -126.32 -91.86 127.52 3.33 96.64 0.03 2.89 0.31 0.04 0.01 0.02 0.00 96.61 0.11 41 V E E 15.75 20.01 17.31 37.39 125.08 -171.93 -122.87 135.30 4.33 95.65 0.03 4.06 0.16 0.02 0.01 0.01 0.00 95.51 0.24 42 L E E 84.13 7.98 23.39 31.70 116.13 -141.31 -96.73 129.79 18.46 81.47 0.07 16.66 1.15 0.13 0.02 0.04 0.00 80.90 1.09 43 C C C 11.79 21.83 11.76 33.18 117.13 -142.08 -89.80 137.38 87.51 12.38 0.11 83.31 3.46 0.39 0.02 0.10 0.00 11.73 1.00 44 D C T 105.59 3.31 20.06 23.92 107.44 -103.40 -62.17 129.74 97.34 1.57 1.09 1.43 12.56 83.37 0.05 1.17 0.00 1.14 0.28 45 G C T 51.22 3.73 18.00 22.32 95.36 16.36 86.28 -2.86 98.15 1.10 0.76 1.11 12.22 84.84 0.02 0.86 0.00 0.81 0.14 46 C C C 20.20 19.86 9.38 28.29 124.71 98.00 -110.35 144.40 63.30 35.90 0.81 46.75 14.65 2.02 0.18 0.85 0.00 29.08 6.48 47 K C E 138.42 3.25 19.85 23.37 110.22 -145.33 -87.49 94.25 58.03 41.47 0.50 13.15 33.69 12.59 0.04 0.54 0.00 38.42 1.56 48 G C E 34.87 6.10 20.91 27.46 126.20 2.11 104.98 166.16 56.75 42.91 0.34 15.80 28.75 11.94 0.02 0.36 0.00 42.53 0.59 49 V E E 38.40 19.29 14.94 33.38 118.77 -117.50 -105.03 130.58 35.73 64.22 0.05 33.02 1.41 0.13 0.01 0.03 0.00 65.03 0.36 50 T E E 44.67 11.69 22.22 34.12 117.01 -168.57 -109.55 137.43 7.08 92.86 0.06 5.87 0.70 0.13 0.01 0.03 0.00 93.11 0.14 51 L E E 49.60 15.04 21.93 36.61 122.24 -138.27 -109.92 134.59 1.39 98.56 0.05 1.21 0.09 0.02 0.02 0.02 0.00 98.58 0.06 52 C E E 15.68 19.30 20.13 39.40 121.85 -166.37 -115.17 135.69 2.96 96.97 0.07 2.58 0.19 0.04 0.02 0.03 0.00 97.02 0.11 53 Y E E 51.26 14.76 20.95 35.91 122.25 -163.64 -115.14 133.36 14.65 85.12 0.23 11.94 2.09 0.52 0.05 0.16 0.00 84.70 0.53 54 S C E 33.48 14.04 17.97 32.05 115.11 -154.95 -106.39 142.72 60.92 34.66 4.42 24.11 19.17 19.09 0.42 3.80 0.01 32.35 1.05 55 H C T 111.61 7.56 19.33 26.90 99.93 -39.04 -74.42 14.07 82.64 11.05 6.31 21.53 27.92 33.70 0.65 5.71 0.01 9.14 1.34 56 S C T 42.22 10.98 15.68 27.35 115.14 78.58 -96.32 148.03 86.83 5.91 7.26 22.20 28.39 36.30 0.70 6.94 0.00 4.45 1.02 57 Q C T 100.05 9.18 17.52 26.98 105.34 -128.06 -85.07 68.18 80.35 15.91 3.74 25.19 25.59 29.88 0.36 3.52 0.00 14.42 1.03 58 R E E 102.91 10.30 19.12 29.61 118.64 117.49 -109.02 138.39 41.50 57.07 1.43 25.79 12.67 4.47 0.24 1.26 0.00 54.59 0.97 59 D E E 51.38 12.66 21.09 33.68 118.74 -116.76 -95.14 137.71 14.14 85.73 0.13 12.58 1.02 0.17 0.03 0.08 0.00 85.70 0.43 60 M E E 12.44 21.94 18.21 40.19 123.69 -163.72 -116.26 134.42 3.69 96.27 0.04 3.20 0.32 0.04 0.01 0.02 0.00 96.22 0.19 61 N E E 54.35 10.43 24.75 35.48 122.06 -155.42 -110.93 137.02 4.38 95.58 0.04 4.03 0.29 0.04 0.02 0.02 0.00 94.37 1.23 62 C C C 8.40 21.63 13.49 35.76 111.44 -116.32 -72.79 131.57 52.69 47.20 0.11 51.32 1.03 0.16 0.03 0.07 0.00 45.38 2.02 63 K C T 108.22 8.59 19.08 28.15 102.12 -130.27 -67.13 71.53 98.21 0.86 0.93 0.99 6.70 90.57 0.04 0.91 0.00 0.62 0.16 64 G C T 51.91 3.59 18.13 22.35 98.86 35.73 1.18 -21.93 99.03 0.32 0.65 0.38 5.07 93.67 0.01 0.60 0.00 0.19 0.08 65 C C T 56.68 8.57 14.15 23.79 104.32 23.71 -108.93 -12.76 98.92 0.49 0.59 2.15 9.21 87.50 0.02 0.67 0.00 0.34 0.10 66 G C C 46.60 5.61 17.30 24.11 95.10 -127.07 79.30 6.81 98.51 1.26 0.24 78.86 9.23 10.35 0.04 0.23 0.00 0.94 0.35 67 E C C 82.16 7.72 17.99 27.11 118.13 140.61 -76.15 141.74 83.42 16.50 0.07 75.94 7.27 0.28 0.01 0.07 0.00 14.57 1.86 68 T E E 54.12 12.71 19.33 32.31 110.32 -115.83 -77.60 126.72 2.62 97.38 0.00 2.69 0.09 0.00 0.00 0.00 0.00 94.24 2.98 69 I E E 13.54 20.87 19.12 40.24 99.52 177.30 -93.47 -26.89 8.31 91.68 0.00 4.54 3.08 0.04 0.00 0.00 0.00 92.31 0.03 70 L E E 10.72 21.76 17.32 39.32 137.48 11.93 -145.81 148.68 0.52 99.47 0.00 0.46 0.03 0.00 0.00 0.00 0.00 99.50 0.01 71 K E E 98.43 6.75 23.26 30.78 127.57 -167.31 -128.99 140.44 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 72 S E E 44.64 15.00 12.09 26.79 113.34 -113.59 -74.58 136.12 3.26 96.73 0.00 2.94 0.10 0.01 0.00 0.00 0.00 96.87 0.08 73 T E E 75.68 5.03 13.25 20.23 120.43 176.71 -134.42 120.58 17.71 82.05 0.24 13.60 3.66 0.99 0.05 0.23 0.00 80.15 1.32 74 G C T 67.94 0.56 13.94 12.72 94.76 -20.11 58.18 30.67 98.93 0.40 0.67 0.76 14.15 83.97 0.02 0.76 0.00 0.28 0.06 75 G C T 54.11 4.11 12.87 18.18 95.85 -48.17 82.32 2.37 99.04 0.20 0.76 0.96 15.00 83.03 0.03 0.81 0.00 0.14 0.04 76 K E E 115.45 3.61 17.37 22.32 127.46 95.07 -119.88 145.53 15.93 83.92 0.16 10.43 5.49 0.93 0.04 0.12 0.00 81.93 1.07 77 A E E 22.27 19.76 11.53 30.78 115.93 -123.45 -81.45 134.65 7.21 92.75 0.04 6.54 0.34 0.05 0.01 0.02 0.00 92.92 0.13 78 R E E 108.66 5.86 22.47 28.98 126.72 -172.60 -125.61 141.82 3.43 96.52 0.05 3.05 0.20 0.04 0.02 0.02 0.00 96.56 0.10 79 L E E 57.18 16.83 13.45 29.87 112.72 -113.98 -76.90 131.21 7.83 92.06 0.11 7.43 0.40 0.08 0.05 0.05 0.00 90.81 1.19 80 I C C 74.69 8.94 15.57 25.68 114.11 -169.81 -106.28 135.16 68.19 28.19 3.61 55.60 7.65 3.70 0.59 3.21 0.00 28.17 1.09 81 G C S 50.31 2.63 17.56 20.46 116.17 -21.41 82.02 -157.99 77.80 16.64 5.56 24.08 29.82 24.77 0.66 4.89 0.01 14.63 1.14 82 E C C 138.25 3.22 16.90 21.02 110.70 -19.03 -89.71 104.80 82.04 11.71 6.25 41.49 19.13 22.00 0.89 5.59 0.00 9.52 1.36 83 C C C 33.99 17.98 9.67 26.46 119.40 136.53 -100.57 138.50 80.11 13.85 6.04 65.12 10.05 4.56 1.90 4.56 0.00 10.49 3.31 84 A C C 63.98 5.45 19.25 25.19 104.00 -152.79 -92.22 21.34 75.57 15.51 8.92 49.98 18.70 7.16 3.63 5.56 0.02 11.41 3.54 85 F C C 80.89 14.06 13.07 26.94 121.19 75.82 -108.15 134.44 68.45 19.24 12.31 45.69 15.14 7.77 5.59 7.05 0.05 14.73 3.99 86 K C C 109.74 7.21 15.47 24.05 121.85 -160.14 -112.16 138.17 66.29 21.18 12.53 52.83 8.05 4.67 6.82 6.18 0.03 16.97 4.46 87 K C C 114.74 8.41 12.56 22.15 114.80 -129.81 -88.57 134.20 65.47 19.33 15.20 50.90 8.19 5.39 9.15 6.71 0.04 14.23 5.40 88 V C C 79.42 7.83 11.03 20.17 114.79 -149.62 -93.86 135.57 73.65 7.89 18.47 53.63 12.04 8.07 10.28 8.27 0.01 5.90 1.80 89 D C C 106.28 3.08 12.43 16.81 107.08 -131.27 -86.64 94.87 74.10 4.83 21.07 44.73 14.90 14.75 9.09 11.89 0.01 3.30 1.32 90 Y C C 133.77 6.66 9.36 17.38 106.80 104.74 -93.32 66.51 72.45 5.39 22.16 38.17 15.86 19.20 7.54 14.14 0.03 3.48 1.58 91 S C C 73.66 3.95 10.38 16.07 112.02 109.75 -97.38 112.61 71.84 10.12 18.04 41.93 13.60 17.26 5.44 12.18 0.04 6.91 2.65 92 F C C 128.81 5.76 7.97 15.27 107.31 114.50 -90.88 79.38 79.78 8.91 11.31 67.73 2.61 10.16 4.54 5.51 0.00 6.50 2.96 93 E C C 132.22 3.42 11.75 16.73 107.92 112.92 -87.43 102.09 99.78 0.18 0.03 99.72 0.08 0.06 0.01 0.00 0.00 0.11 0.01