# 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 93.41 9.25 12.63 22.86 117.23 -140.60 -94.03 134.90 99.93 0.06 0.01 99.79 0.14 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 84.23 5.20 12.28 19.24 113.25 -111.31 -67.16 147.96 89.52 1.10 9.38 86.84 0.81 3.62 5.29 2.32 0.00 0.52 0.58 2 R C C 156.15 4.30 10.98 17.13 110.17 -122.64 -85.28 124.31 72.34 6.16 21.50 51.46 10.60 9.70 11.42 10.39 0.01 3.39 3.02 3 S C C 58.19 7.07 11.25 19.74 116.90 -143.92 -96.88 141.11 59.46 10.63 29.91 42.62 8.75 7.97 13.14 17.00 0.03 7.10 3.38 4 L C C 95.07 8.49 11.13 20.53 101.88 -155.07 -81.56 -4.31 48.70 11.11 40.19 26.26 11.78 12.77 14.87 23.96 0.15 7.61 2.62 5 K C C 137.61 3.86 13.09 18.49 104.83 80.29 -87.80 28.76 50.68 13.38 35.94 23.46 13.04 16.91 13.24 20.77 0.35 8.96 3.27 6 K C C 139.06 3.75 12.79 18.21 111.09 93.83 -93.26 115.55 64.03 10.93 25.04 26.13 21.31 18.79 9.94 13.18 0.37 6.21 4.06 7 G C C 33.77 6.80 12.33 20.64 129.94 12.92 128.73 -176.20 91.72 5.18 3.10 40.76 34.45 16.86 0.62 2.45 0.00 3.15 1.70 8 P C T 94.16 4.88 15.09 21.02 98.21 -42.04 -72.59 -13.84 93.71 3.41 2.88 23.01 35.06 36.12 0.48 2.27 0.00 2.26 0.79 9 F C C 93.49 10.78 14.81 26.02 106.58 67.42 -95.83 60.96 67.66 28.15 4.19 30.31 19.81 20.93 1.29 2.87 0.07 19.49 5.24 10 I C C 51.53 15.32 13.29 28.73 118.41 146.93 -98.10 129.41 65.50 32.48 2.03 51.91 10.89 1.52 1.49 0.83 0.00 20.34 13.02 11 D C C 49.55 11.23 15.73 28.17 107.13 -127.44 -82.95 113.82 90.66 7.92 1.42 89.15 1.83 0.56 1.06 0.27 0.00 5.36 1.76 12 A H H 66.94 5.52 16.33 23.50 93.71 -162.73 -65.66 -33.11 4.15 0.03 95.83 1.28 0.47 2.23 95.08 0.92 0.00 0.01 0.01 13 H H H 120.24 2.55 19.39 21.73 91.76 55.57 -64.65 -39.28 1.89 0.01 98.10 0.28 0.14 1.36 97.14 1.06 0.00 0.00 0.00 14 L H H 18.38 16.71 15.69 32.96 92.35 49.92 -65.58 -41.73 0.72 0.01 99.27 0.11 0.05 0.49 98.23 1.11 0.00 0.00 0.00 15 F H H 46.50 15.40 16.80 32.34 91.78 52.01 -63.11 -42.24 0.30 0.00 99.70 0.05 0.02 0.17 99.52 0.23 0.00 0.00 0.00 16 A H H 55.79 2.54 22.49 23.88 91.20 50.67 -63.15 -41.92 0.31 0.00 99.68 0.04 0.02 0.21 99.65 0.08 0.00 0.00 0.00 17 K H H 92.22 6.49 21.65 28.51 91.90 49.76 -65.19 -41.23 0.39 0.00 99.61 0.04 0.02 0.27 99.59 0.07 0.00 0.00 0.00 18 V H H 9.57 20.91 15.57 36.68 91.86 49.92 -64.17 -42.88 0.24 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 19 E H H 89.47 6.34 21.25 28.13 91.53 50.97 -63.20 -41.78 0.27 0.00 99.72 0.04 0.02 0.15 99.74 0.04 0.00 0.00 0.00 20 N H H 82.43 2.10 21.73 22.24 91.71 49.62 -64.70 -41.10 0.53 0.00 99.47 0.06 0.03 0.34 99.47 0.09 0.00 0.00 0.00 21 A H H 12.81 11.43 13.76 27.65 91.30 51.09 -63.73 -41.28 0.95 0.01 99.05 0.15 0.06 0.61 98.99 0.19 0.00 0.00 0.00 22 L H H 63.56 11.15 13.40 25.27 92.35 50.70 -65.09 -39.89 2.65 0.02 97.33 0.37 0.20 1.88 97.14 0.39 0.00 0.01 0.00 23 E H H 147.19 1.11 15.66 16.03 92.04 51.61 -66.60 -32.59 8.88 0.04 91.08 0.57 0.57 7.35 91.02 0.44 0.02 0.01 0.02 24 T C T 88.65 2.17 12.94 15.60 95.73 46.42 -90.95 0.44 61.75 0.18 38.07 2.40 5.12 50.94 40.33 1.00 0.03 0.05 0.13 25 N C T 132.84 1.74 12.87 15.92 94.06 -118.05 61.54 31.67 97.82 0.11 2.07 12.49 8.89 76.70 1.31 0.50 0.00 0.05 0.06 26 S C C 53.64 6.23 11.82 19.83 113.52 139.73 -97.73 128.63 98.25 0.57 1.19 74.04 17.42 6.66 0.30 0.96 0.00 0.27 0.35 27 R C C 146.69 7.37 13.77 22.65 100.55 -161.22 -90.80 18.07 98.21 1.02 0.77 79.24 15.70 3.05 0.15 0.76 0.00 0.50 0.60 28 K C C 111.19 4.75 18.96 25.00 119.24 129.79 -89.91 142.18 98.70 1.26 0.04 74.71 23.98 0.23 0.01 0.03 0.00 0.83 0.21 29 P C C 53.36 13.57 17.13 30.82 116.07 -103.34 -66.04 147.40 95.31 4.66 0.02 89.70 5.44 0.17 0.00 0.02 0.00 4.45 0.22 30 I E E 20.04 21.28 15.76 37.13 118.37 -134.36 -104.41 130.31 9.22 90.76 0.02 8.68 0.37 0.02 0.01 0.01 0.00 85.48 5.43 31 K E E 101.23 8.54 24.37 33.40 116.24 -144.78 -95.96 129.90 9.31 90.67 0.02 8.95 0.39 0.03 0.01 0.01 0.00 89.62 0.99 32 T E E 19.52 22.01 14.58 35.93 125.63 -170.76 -118.37 141.65 43.36 56.51 0.13 40.34 1.99 0.25 0.03 0.10 0.00 55.95 1.34 33 W C C 124.20 8.14 21.65 30.19 102.78 -167.72 -97.89 -7.34 76.67 22.86 0.47 44.49 29.94 3.03 0.09 0.46 0.00 20.36 1.64 34 S C C 31.90 13.17 17.25 30.96 123.53 73.29 -113.23 142.09 87.79 10.71 1.50 55.83 26.27 5.85 0.26 1.49 0.00 8.33 1.97 35 R C S 123.32 11.68 17.03 28.80 97.74 -162.26 -83.19 -16.04 87.30 5.38 7.31 27.76 35.60 24.36 0.76 6.70 0.00 3.55 1.28 36 R C S 146.04 4.64 21.29 26.39 98.63 60.99 -90.01 3.78 86.57 5.07 8.35 29.72 33.89 23.24 0.72 7.93 0.00 3.42 1.08 37 S C C 20.94 19.07 14.61 33.18 118.70 110.49 -88.53 143.59 79.58 11.95 8.47 57.01 16.69 5.74 0.89 8.04 0.00 10.27 1.36 38 M E E 78.70 9.74 24.62 34.55 118.36 -138.59 -104.33 132.40 43.98 53.94 2.07 35.80 5.39 1.55 0.77 1.53 0.01 44.66 10.29 39 I E E 15.91 23.71 15.58 39.36 117.49 -152.62 -101.41 128.63 31.05 68.79 0.15 29.34 1.68 0.09 0.11 0.06 0.00 41.63 27.09 40 L C C 44.15 11.72 20.32 32.84 113.01 -138.17 -86.73 129.58 98.95 1.02 0.02 98.86 0.41 0.02 0.01 0.01 0.00 0.62 0.09 41 P H G 70.30 10.40 16.90 28.23 91.09 -127.32 -58.90 -32.12 10.36 0.12 89.52 0.82 0.81 7.36 1.09 89.82 0.00 0.10 0.01 42 Q H G 116.96 4.31 20.91 26.25 89.55 64.51 -68.01 -16.22 9.48 0.08 90.44 0.29 0.53 7.89 0.86 90.38 0.00 0.06 0.01 43 M H G 12.15 22.07 14.10 36.79 94.05 58.12 -93.94 -5.95 9.16 0.12 90.72 0.93 0.87 5.75 0.85 91.51 0.00 0.08 0.01 44 V C T 53.01 15.05 15.79 31.19 112.54 115.36 -62.41 132.10 97.04 1.08 1.89 0.60 1.37 95.99 0.25 0.84 0.00 0.38 0.57 45 G C T 45.11 3.95 22.24 27.03 94.08 22.96 85.43 -3.07 99.50 0.21 0.29 0.30 1.67 97.68 0.02 0.18 0.00 0.14 0.01 46 L C C 27.32 18.08 15.55 34.02 120.35 129.19 -78.77 148.10 96.29 3.68 0.03 89.60 6.37 0.13 0.00 0.03 0.00 3.72 0.13 47 T E E 49.09 9.87 25.15 35.71 118.04 -133.58 -104.50 130.08 2.16 97.84 0.00 2.19 0.07 0.00 0.00 0.00 0.00 97.36 0.37 48 L E E 4.11 25.61 17.72 44.07 124.59 -170.24 -119.85 138.65 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.76 0.01 49 S E E 17.12 13.00 25.79 39.65 120.16 -148.68 -104.17 140.10 0.22 99.78 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 50 V E E 8.68 21.95 19.65 41.87 120.77 -159.78 -114.39 131.21 0.69 99.30 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.33 0.02 51 H E E 42.56 13.08 18.83 32.95 115.74 -153.46 -106.56 123.78 9.69 90.22 0.08 7.82 1.32 0.27 0.01 0.06 0.00 90.19 0.32 52 N C E 62.29 9.20 17.01 27.73 102.83 175.83 -109.28 27.75 50.01 49.18 0.80 30.49 12.78 7.15 0.08 0.82 0.00 47.88 0.80 53 G C T 43.01 6.72 15.02 22.41 98.06 -90.53 76.59 -16.06 98.50 0.61 0.88 2.94 39.82 55.71 0.03 0.97 0.00 0.41 0.13 54 R C T 180.14 1.22 15.51 16.22 103.88 34.10 -100.77 -28.35 98.31 0.98 0.71 2.97 46.97 48.48 0.03 0.72 0.00 0.68 0.15 55 T E E 85.33 2.71 16.46 19.84 127.54 30.90 -125.13 146.21 34.76 65.11 0.12 25.49 8.93 0.81 0.02 0.12 0.00 63.84 0.79 56 H E E 89.06 14.42 11.91 26.08 121.01 -138.80 -105.24 133.48 8.65 91.34 0.01 7.92 0.43 0.03 0.00 0.01 0.00 91.31 0.31 57 V E E 47.56 9.80 18.48 29.86 120.52 -168.82 -121.63 126.38 2.65 97.34 0.00 2.36 0.10 0.00 0.00 0.00 0.00 97.51 0.03 58 P E E 71.35 8.88 20.36 29.78 114.88 -120.78 -70.08 140.17 1.71 98.29 0.00 1.57 0.03 0.00 0.00 0.00 0.00 98.38 0.01 59 V E E 14.18 21.30 15.40 36.72 127.74 -172.56 -128.11 141.76 0.62 99.38 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.37 0.02 60 I E E 71.00 7.81 25.54 33.92 115.52 -137.13 -97.29 126.87 1.63 98.37 0.00 1.56 0.04 0.00 0.00 0.00 0.00 98.27 0.12 61 V E E 7.07 24.79 13.70 39.21 113.40 -146.12 -95.82 123.16 35.30 64.65 0.05 33.30 1.24 0.06 0.02 0.02 0.00 64.75 0.61 62 S C C 35.02 6.28 23.36 30.11 136.60 159.08 -136.81 173.36 94.29 5.30 0.41 81.11 13.21 0.39 0.26 0.17 0.00 4.07 0.80 63 E H G 114.05 9.58 15.35 25.82 90.60 -94.03 -61.44 -30.53 24.83 0.16 75.00 0.85 2.88 21.85 10.68 63.57 0.00 0.10 0.06 64 Q H G 137.55 1.70 19.93 21.26 90.73 60.38 -71.84 -20.61 23.43 0.12 76.45 0.62 1.64 21.57 10.24 65.81 0.00 0.08 0.04 65 M H G 30.49 17.90 14.17 32.19 96.76 47.43 -97.35 -8.62 21.69 0.42 77.88 1.77 2.24 17.96 11.32 66.22 0.01 0.29 0.18 66 V C T 36.24 18.95 13.67 32.16 113.79 110.28 -67.75 133.58 78.07 5.81 16.12 6.29 6.08 65.40 10.68 5.58 0.14 3.38 2.44 67 G C T 38.04 7.75 20.54 29.01 96.14 21.58 84.26 -3.00 88.56 1.66 9.78 7.41 7.98 73.14 5.63 4.11 0.01 1.11 0.61 68 H C C 73.51 11.00 16.56 28.22 114.96 124.07 -87.07 159.10 73.19 4.48 22.33 47.82 13.74 11.88 14.32 7.41 0.02 2.11 2.69 69 K C H 107.52 7.41 20.85 28.24 112.18 -99.93 -72.64 146.49 46.58 14.23 39.20 19.50 11.64 16.84 22.28 14.10 1.00 5.92 8.72 70 L H G 55.28 17.76 14.53 31.20 97.62 -98.56 -66.24 -20.12 43.84 3.87 52.29 6.50 8.00 27.53 24.30 28.51 0.89 2.25 2.03 71 G H G 34.75 10.57 17.55 28.04 96.60 42.15 40.04 -10.60 43.90 2.18 53.92 8.23 7.50 27.14 21.33 33.31 0.22 1.19 1.08 72 E C T 106.10 6.14 18.33 25.33 94.15 81.67 -72.84 -22.90 53.51 3.15 43.34 11.59 11.44 29.84 17.87 25.64 0.24 1.81 1.58 73 F C T 84.84 11.83 14.85 27.07 101.25 44.38 -100.50 -0.20 60.76 8.52 30.72 18.41 16.88 26.63 14.43 14.40 0.60 4.16 4.49 74 A C C 36.95 13.73 12.12 26.15 117.28 97.27 -88.57 136.60 83.73 6.55 9.72 49.76 29.34 4.97 5.85 3.76 0.01 3.71 2.60 75 P C C 82.38 6.33 14.63 22.22 105.87 -120.52 -69.02 134.43 79.06 7.54 13.40 59.39 10.72 8.83 6.01 7.42 0.00 5.40 2.22 76 T C C 84.07 6.64 12.44 20.31 109.48 69.59 -95.02 97.62 72.39 14.00 13.60 50.84 11.97 9.26 6.06 7.72 0.03 9.89 4.24 77 R C C 147.13 5.55 12.26 19.38 109.91 -161.61 -93.75 103.19 72.44 16.93 10.64 48.07 16.94 7.58 5.36 5.50 0.03 12.76 3.76 78 T C C 88.45 4.39 12.88 19.06 119.12 75.51 -107.62 132.73 72.43 20.22 7.35 51.03 15.22 5.91 4.02 3.65 0.02 16.58 3.57 79 Y C C 129.74 8.11 10.26 19.65 116.80 -152.40 -96.64 132.14 74.11 20.91 4.98 59.54 9.85 3.80 3.04 2.26 0.01 16.64 4.87 80 R C C 157.94 3.40 12.44 17.58 112.53 -161.77 -99.83 117.68 78.77 12.83 8.40 54.38 13.63 10.50 5.08 3.50 0.01 9.98 2.93 81 G C C 42.60 5.17 12.30 18.93 119.03 -86.36 104.26 -172.58 76.67 7.64 15.70 36.33 22.09 19.32 9.16 6.06 0.04 4.93 2.06 82 H C C 118.90 5.57 11.64 18.51 108.19 -70.49 -90.68 94.90 69.73 6.87 23.41 37.38 17.17 15.77 15.25 7.86 0.08 3.95 2.54 83 G C C 39.63 5.46 12.34 19.12 103.95 58.02 -58.47 -40.54 61.53 3.36 35.11 35.41 14.24 12.60 23.92 10.66 0.03 1.80 1.35 84 I C H 100.69 4.50 12.05 17.88 98.59 55.73 -72.85 -29.48 49.02 2.43 48.55 24.40 12.11 14.05 34.48 12.62 0.07 1.31 0.97 85 D C H 83.24 4.79 11.51 17.75 100.52 58.70 -79.41 -12.34 49.56 2.32 48.12 29.46 8.87 12.11 35.87 11.46 0.03 1.30 0.90 86 R H H 139.12 4.29 10.84 16.66 98.80 78.54 -74.51 -21.85 47.65 2.27 50.08 29.32 9.27 10.30 39.42 9.54 0.03 1.21 0.91 87 K C H 136.48 2.74 10.83 14.93 98.87 62.95 -77.30 -17.77 51.28 2.40 46.32 29.53 10.20 12.85 37.22 7.90 0.04 1.26 1.00 88 A C C 73.37 3.64 8.49 13.82 101.84 70.47 -81.69 -3.94 61.95 2.63 35.42 34.35 12.12 16.08 27.92 7.03 0.03 1.34 1.14 89 K C C 148.02 2.21 8.77 12.56 106.34 73.80 -87.53 66.31 77.74 2.24 20.03 61.94 3.30 12.54 16.03 3.81 0.00 1.20 1.17 90 R C C 167.56 2.58 10.67 14.88 108.53 58.68 -85.01 108.43 99.79 0.12 0.09 99.54 0.16 0.15 0.06 0.01 0.00 0.06 0.02