# 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 98.65 8.32 15.43 24.56 115.53 170.27 -96.35 129.64 99.77 0.22 0.01 99.74 0.09 0.04 0.00 0.00 0.00 0.11 0.02 1 L C C 100.88 6.68 14.97 22.79 113.86 -139.30 -91.50 128.11 87.47 12.11 0.42 85.17 2.08 0.77 0.22 0.16 0.00 6.87 4.74 2 M C C 40.65 16.24 8.98 24.77 119.50 -144.02 -96.58 137.63 93.07 6.84 0.09 68.89 24.81 0.19 0.06 0.04 0.00 4.55 1.45 3 P C C 66.80 3.41 15.98 20.16 114.80 -105.35 -64.93 152.51 97.40 2.39 0.21 97.40 0.53 0.09 0.14 0.02 0.00 1.37 0.45 4 K H H 141.88 3.80 11.90 17.82 91.59 -109.93 -57.48 -38.75 3.76 0.01 96.23 0.69 0.61 2.27 93.88 2.54 0.00 0.00 0.00 5 E H H 137.57 1.07 15.90 15.84 91.74 53.22 -64.97 -38.54 2.72 0.01 97.27 0.32 0.26 1.97 94.39 3.05 0.00 0.00 0.00 6 D H H 49.45 9.20 14.42 25.03 93.46 47.00 -69.73 -36.00 2.08 0.02 97.90 0.51 0.23 1.23 94.30 3.73 0.00 0.01 0.00 7 R H H 58.45 17.10 13.80 30.34 91.70 55.05 -62.08 -42.11 0.69 0.00 99.31 0.20 0.07 0.31 99.17 0.25 0.00 0.00 0.00 8 N H H 88.08 3.88 20.81 24.93 91.59 51.12 -64.11 -40.69 0.53 0.00 99.47 0.08 0.03 0.30 99.47 0.11 0.00 0.00 0.00 9 K H H 102.23 3.83 22.39 25.97 91.74 49.65 -64.78 -41.62 0.42 0.00 99.58 0.06 0.02 0.25 99.57 0.10 0.00 0.00 0.00 10 I H H 8.66 21.44 17.81 39.50 91.43 49.48 -63.77 -43.85 0.27 0.00 99.73 0.03 0.01 0.17 99.71 0.08 0.00 0.00 0.00 11 H H H 38.69 18.21 20.25 37.59 91.28 50.87 -62.56 -42.55 0.43 0.00 99.57 0.04 0.02 0.31 99.48 0.15 0.00 0.00 0.00 12 Q H H 93.56 3.49 24.19 27.22 91.56 50.70 -64.08 -41.75 0.65 0.00 99.35 0.04 0.03 0.54 99.20 0.19 0.00 0.00 0.00 13 Y H H 54.45 10.35 21.74 33.01 91.81 49.23 -64.72 -42.65 0.84 0.00 99.16 0.05 0.05 0.71 98.92 0.26 0.00 0.00 0.00 14 L H H 4.29 25.06 16.79 41.97 91.63 49.24 -64.77 -42.81 1.36 0.01 98.63 0.10 0.11 1.15 98.04 0.57 0.01 0.00 0.00 15 F H H 61.19 16.42 19.18 34.58 93.45 46.26 -69.19 -38.11 3.31 0.02 96.68 0.19 0.24 2.96 95.19 1.37 0.04 0.01 0.01 16 Q H H 118.12 2.56 22.68 24.91 96.48 42.93 -76.93 -37.54 8.06 0.03 91.92 0.33 0.58 7.26 90.50 1.26 0.04 0.01 0.01 17 E H H 85.29 8.41 20.97 29.71 99.30 28.08 -99.99 -15.42 21.66 0.13 78.21 1.57 3.86 16.37 77.08 0.94 0.07 0.03 0.08 18 G C C 8.84 17.84 19.95 37.65 99.86 -120.73 78.08 17.75 94.26 5.12 0.62 43.54 20.57 30.22 0.19 0.37 0.00 4.72 0.38 19 V E E 14.78 20.32 23.83 43.47 126.93 122.16 -120.22 141.38 26.44 73.49 0.06 24.17 1.51 0.10 0.02 0.04 0.00 73.47 0.69 20 V E E 5.61 24.05 24.56 48.02 125.12 -162.57 -118.41 135.89 3.40 96.58 0.02 3.33 0.15 0.01 0.01 0.01 0.00 96.14 0.36 21 V E E 21.62 18.45 26.80 44.53 120.41 -155.60 -112.28 129.95 3.14 96.84 0.02 2.98 0.15 0.02 0.01 0.01 0.00 96.39 0.44 22 A E E 6.97 22.75 17.65 40.37 121.17 -149.87 -95.11 145.17 17.83 82.07 0.10 16.81 0.88 0.11 0.04 0.06 0.00 81.07 1.03 23 K C S 102.07 8.52 21.94 30.52 110.17 -121.36 -76.48 144.47 69.50 29.73 0.77 31.72 34.61 3.96 0.12 0.65 0.00 27.82 1.12 24 K C S 110.55 8.62 19.03 27.79 113.81 -84.34 -78.51 145.49 93.00 5.59 1.42 14.16 70.20 8.71 0.19 1.10 0.00 4.71 0.94 25 D C C 63.05 9.76 16.88 27.12 109.43 34.43 -98.75 104.31 94.73 3.39 1.87 82.88 7.47 4.07 0.34 1.77 0.00 2.02 1.45 26 F C T 74.38 15.50 13.09 28.34 96.02 -163.80 -76.12 -13.79 93.50 2.16 4.35 19.65 17.82 55.78 0.80 3.72 0.00 1.18 1.05 27 N C T 112.61 3.61 18.39 22.83 97.86 60.26 -90.80 13.10 93.86 1.25 4.89 15.53 21.04 57.17 0.84 4.11 0.00 0.68 0.62 28 Q C C 66.16 12.83 11.86 25.21 116.26 127.12 -80.12 141.85 91.76 2.06 6.17 57.67 30.07 4.16 2.09 3.69 0.00 0.76 1.57 29 A C C 58.59 5.97 16.57 23.54 115.12 -103.35 -70.00 151.14 91.50 3.07 5.43 78.70 8.13 4.52 2.07 3.20 0.00 1.57 1.81 30 K C C 132.49 5.74 14.50 22.26 115.73 -110.86 -81.87 138.68 78.95 15.82 5.23 62.65 9.98 3.81 2.43 2.87 0.01 5.59 12.65 31 H C C 41.71 15.55 8.27 23.59 113.95 -129.88 -91.87 127.17 84.62 11.88 3.50 74.40 6.38 2.52 1.83 1.62 0.00 5.05 8.19 32 E C T 164.28 0.73 15.08 14.65 93.38 -140.34 -67.87 -26.26 92.22 1.00 6.78 9.86 20.23 62.38 1.45 5.00 0.00 0.58 0.49 33 E C T 121.79 4.05 13.78 19.06 96.57 49.48 -84.12 -23.76 92.89 0.80 6.31 7.03 22.41 63.91 1.18 4.62 0.00 0.44 0.41 34 I C S 33.40 17.03 9.23 25.50 119.49 43.71 -118.11 128.75 86.25 5.70 8.05 23.92 31.69 31.15 2.00 5.45 0.03 2.53 3.23 35 D C C 120.49 1.56 18.93 20.01 97.92 -137.45 -71.41 38.57 94.21 4.12 1.67 48.17 30.81 15.65 0.67 0.93 0.00 2.77 0.99 36 T C C 31.51 14.63 12.80 28.08 127.43 109.27 -114.41 150.25 83.50 12.99 3.51 56.38 24.50 2.96 2.69 1.14 0.02 6.85 5.46 37 K C C 97.90 6.55 22.63 29.18 111.86 -103.48 -74.15 138.08 72.72 19.82 7.46 67.39 3.22 1.72 6.98 1.07 0.00 7.80 11.81 38 N H H 29.94 21.21 15.10 35.30 95.20 -129.66 -63.83 -35.09 24.20 0.64 75.16 17.74 3.28 3.74 73.59 1.15 0.00 0.30 0.19 39 L H H 74.98 8.49 22.31 31.14 91.65 62.55 -63.17 -34.85 3.52 0.06 96.42 1.38 0.44 1.63 95.57 0.92 0.00 0.03 0.01 40 Y H H 80.81 9.26 23.25 32.92 91.82 53.54 -64.78 -40.49 0.78 0.02 99.20 0.26 0.08 0.40 98.49 0.75 0.00 0.02 0.00 41 V H H 2.94 25.32 18.85 44.41 91.61 50.00 -63.71 -43.55 0.26 0.01 99.73 0.07 0.02 0.13 99.48 0.29 0.00 0.00 0.00 42 I H H 25.54 18.41 21.76 39.46 91.42 50.31 -63.12 -42.69 0.23 0.00 99.77 0.04 0.02 0.13 99.60 0.22 0.00 0.00 0.00 43 K H H 107.62 4.31 26.30 30.79 91.58 51.13 -64.04 -40.83 0.66 0.00 99.33 0.06 0.03 0.50 98.85 0.55 0.00 0.00 0.00 44 A H H 15.59 16.12 20.90 37.30 91.60 51.01 -65.06 -39.88 3.06 0.00 96.93 0.14 0.13 2.64 96.10 0.97 0.01 0.00 0.00 45 L H H 5.97 24.76 17.32 41.98 92.58 50.87 -72.95 -29.20 14.23 0.08 85.69 1.64 1.19 11.13 82.95 3.00 0.03 0.03 0.04 46 Q H H 92.19 10.00 20.88 31.14 92.64 72.07 -62.61 -35.35 39.23 0.70 60.07 4.69 3.56 30.27 51.99 8.59 0.16 0.40 0.33 47 S C T 61.68 4.82 21.78 26.62 92.85 54.50 -73.30 -23.18 53.18 1.34 45.49 8.11 5.92 37.94 36.56 9.93 0.15 0.83 0.55 48 L C C 24.13 19.65 13.95 33.06 94.99 62.77 -74.35 -20.43 56.31 7.71 35.97 31.39 13.21 12.81 26.06 9.15 0.22 4.72 2.44 49 T C C 61.40 13.05 15.88 28.50 96.90 72.45 -74.46 -26.79 52.89 23.13 23.98 35.08 8.94 8.77 18.56 6.18 0.27 16.66 5.55 50 S C C 73.88 4.11 16.67 21.63 95.45 66.37 -78.43 -6.23 44.91 35.45 19.64 22.23 12.34 11.99 12.71 6.79 1.25 21.94 10.76 51 K C T 123.01 5.57 15.56 22.30 97.11 55.98 -87.57 11.89 87.39 3.51 9.09 5.26 16.71 66.08 3.14 5.03 0.06 2.19 1.54 52 G C T 47.53 4.88 18.39 24.13 94.78 -106.72 79.35 7.25 96.80 0.49 2.71 3.04 18.13 76.07 0.30 1.99 0.00 0.31 0.16 53 Y C S 52.45 15.46 16.54 32.29 98.53 106.19 -91.83 -19.39 69.86 28.63 1.51 13.65 29.57 28.99 0.22 1.29 0.01 24.33 1.93 54 V E E 7.31 23.63 12.52 36.32 131.31 41.05 -130.67 145.89 15.46 84.49 0.05 12.40 2.86 0.18 0.02 0.04 0.00 82.34 2.17 55 K E E 106.67 4.97 24.49 29.72 120.06 -145.65 -104.38 137.91 4.72 95.27 0.00 4.50 0.14 0.01 0.00 0.00 0.00 95.20 0.15 56 T E E 48.96 19.12 13.36 31.20 123.58 -155.30 -115.11 136.01 2.01 97.99 0.00 2.03 0.04 0.00 0.00 0.00 0.00 97.89 0.04 57 Q E E 83.46 6.14 19.13 26.37 124.28 -172.45 -126.51 136.62 1.30 98.69 0.00 1.19 0.07 0.00 0.00 0.00 0.00 98.67 0.05 58 F E E 111.09 10.10 12.77 23.75 118.38 -147.51 -105.68 130.87 8.07 91.92 0.01 6.90 0.68 0.07 0.00 0.01 0.00 92.06 0.28 59 S C C 46.36 6.75 12.71 21.10 126.04 175.17 -125.79 158.79 76.60 23.36 0.04 71.84 2.86 0.22 0.01 0.03 0.00 24.63 0.40 60 W C S 195.99 2.44 14.11 17.18 95.86 -69.50 -54.04 -30.03 99.44 0.37 0.18 3.49 71.69 24.35 0.01 0.15 0.00 0.25 0.06 61 Q C S 114.94 4.85 14.45 20.27 102.03 8.55 -102.86 -9.59 99.06 0.78 0.15 2.44 72.93 23.81 0.01 0.13 0.00 0.63 0.06 62 Y E E 73.28 10.36 15.19 26.90 132.84 43.16 -133.85 152.05 33.53 66.43 0.04 24.82 7.97 0.41 0.00 0.04 0.00 66.26 0.49 63 Y E E 43.63 15.05 17.00 33.08 121.31 -143.58 -111.89 134.22 2.70 97.30 0.00 2.53 0.09 0.00 0.00 0.00 0.00 97.28 0.09 64 Y E E 29.51 15.48 21.18 37.56 125.82 -169.63 -122.06 138.86 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.01 65 Y E E 18.50 20.45 21.19 41.55 124.48 -161.51 -116.61 138.15 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 66 T E E 23.09 15.29 25.57 40.79 126.41 -167.06 -121.67 141.99 1.63 98.36 0.00 1.51 0.06 0.00 0.00 0.00 0.00 98.35 0.07 67 L E E 7.50 24.19 17.36 42.19 113.58 -121.75 -80.25 133.21 16.89 83.11 0.01 16.66 0.39 0.01 0.00 0.00 0.00 81.73 1.21 68 T C C 30.37 10.81 21.35 33.13 124.49 -137.73 -85.03 167.99 96.11 3.84 0.05 95.71 0.90 0.03 0.03 0.01 0.00 3.13 0.19 69 E H H 122.73 5.36 19.34 25.98 90.81 -99.52 -59.33 -37.36 1.85 0.00 98.14 0.24 0.21 1.25 97.87 0.41 0.00 0.00 0.00 70 E H H 104.35 3.20 22.82 25.58 91.43 52.73 -64.19 -40.16 0.65 0.00 99.35 0.03 0.03 0.53 98.97 0.44 0.00 0.00 0.00 71 G H H 2.56 21.71 16.07 38.35 91.52 50.59 -63.99 -42.66 0.42 0.00 99.58 0.04 0.02 0.28 99.18 0.47 0.00 0.00 0.00 72 V H H 16.08 19.43 18.21 37.50 91.52 50.46 -63.46 -42.49 0.14 0.00 99.86 0.02 0.01 0.07 99.85 0.06 0.00 0.00 0.00 73 E H H 104.66 2.77 24.42 26.25 91.43 50.75 -63.68 -41.87 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 74 Y H H 62.19 9.05 21.24 31.42 91.70 49.14 -64.30 -42.72 0.23 0.00 99.77 0.01 0.01 0.17 99.77 0.04 0.00 0.00 0.00 75 L H H 4.25 24.54 15.86 40.63 91.56 49.14 -64.42 -42.68 0.17 0.00 99.83 0.01 0.01 0.11 99.81 0.05 0.00 0.00 0.00 76 R H H 75.87 12.96 17.34 30.45 91.76 50.70 -63.65 -41.08 0.17 0.00 99.83 0.01 0.01 0.12 99.80 0.06 0.00 0.00 0.00 77 E H H 135.25 1.33 20.73 20.37 93.01 46.88 -67.25 -40.66 0.45 0.00 99.55 0.01 0.01 0.39 99.47 0.11 0.00 0.00 0.00 78 Y H H 91.02 10.51 16.96 27.97 95.24 42.59 -75.00 -37.97 2.91 0.00 97.09 0.05 0.09 2.78 96.89 0.18 0.00 0.00 0.00 79 L H H 25.45 18.28 13.56 31.92 97.75 32.57 -98.32 -5.53 36.44 0.10 63.46 1.15 3.17 31.01 63.85 0.66 0.04 0.02 0.08 80 N C T 122.30 2.04 20.82 22.70 93.75 -125.21 58.57 40.95 99.52 0.07 0.41 24.28 3.08 72.30 0.18 0.10 0.00 0.03 0.03 81 L C C 23.47 20.33 8.64 27.80 120.38 167.32 -84.77 146.66 99.71 0.24 0.04 93.83 5.77 0.10 0.02 0.02 0.00 0.07 0.19 82 P C C 62.45 4.32 18.02 23.15 114.96 -103.89 -65.54 151.94 99.47 0.21 0.32 98.56 0.66 0.38 0.05 0.17 0.00 0.07 0.12 83 E C T 137.40 5.30 13.05 20.50 92.78 -110.44 -62.86 -25.68 95.15 0.31 4.54 2.45 15.37 76.93 0.41 4.50 0.00 0.18 0.16 84 H C T 146.62 1.99 17.83 19.82 94.51 60.27 -85.22 -2.89 93.69 1.45 4.87 5.01 10.87 77.17 0.46 5.10 0.00 1.10 0.29 85 I C C 42.52 16.62 12.55 29.15 112.92 104.01 -86.36 124.30 77.93 17.72 4.35 54.05 19.53 4.06 1.20 3.44 0.00 10.98 6.75 86 V C C 52.47 11.67 18.13 30.56 118.87 -162.57 -110.78 126.91 78.06 20.93 1.01 62.67 15.30 0.52 0.82 0.30 0.00 17.02 3.37 87 P C C 34.06 13.90 15.20 30.01 113.08 -113.24 -65.85 145.99 73.85 22.44 3.71 67.47 3.88 1.50 2.46 1.30 0.00 18.59 4.79 88 G H H 39.55 7.62 16.22 24.94 94.71 -122.06 -63.43 -30.95 44.34 1.64 54.01 21.73 10.17 12.52 30.61 23.44 0.03 0.91 0.59 89 T H H 75.70 4.67 16.80 22.31 93.59 63.06 -71.46 -26.22 34.84 1.65 63.51 13.30 7.41 13.78 39.36 24.53 0.09 0.95 0.57 90 Y H H 75.04 11.88 12.76 25.30 96.10 54.55 -80.27 -25.26 30.13 3.09 66.77 15.46 6.02 9.21 42.02 24.43 0.08 1.94 0.84 91 I H H 70.03 10.60 11.61 22.90 99.15 62.74 -77.40 -25.04 38.83 3.91 57.26 25.32 8.28 7.52 46.47 8.79 0.05 2.33 1.23 92 Q C H 119.52 3.11 12.29 16.63 100.68 67.94 -78.19 -17.42 49.40 2.82 47.78 32.40 8.89 9.30 40.59 6.25 0.02 1.63 0.92 93 E C C 129.20 3.19 10.38 15.06 103.16 67.41 -80.89 10.23 59.73 2.26 38.01 39.72 9.13 10.88 32.86 5.33 0.01 1.21 0.85 94 R C C 153.91 3.76 9.17 14.70 105.90 88.04 -84.42 67.44 76.25 1.28 22.47 64.07 1.58 10.09 20.80 2.21 0.00 0.61 0.65 95 N C C 114.64 3.41 10.99 16.04 105.62 -145.87 -87.23 67.48 99.91 0.03 0.07 99.72 0.08 0.13 0.04 0.00 0.00 0.01 0.01