# 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 92.50 9.49 11.79 22.05 117.76 -165.21 -99.49 134.24 99.85 0.13 0.02 99.79 0.08 0.03 0.01 0.00 0.00 0.07 0.01 1 E C C 137.99 2.51 12.22 16.18 114.58 -148.33 -94.98 128.39 87.85 8.10 4.06 84.64 1.29 2.58 2.28 1.14 0.00 5.61 2.45 2 I C C 89.29 8.65 7.80 17.38 115.19 -147.53 -95.68 131.04 80.24 11.58 8.18 64.68 11.34 3.94 4.72 3.55 0.01 8.55 3.21 3 K C C 127.07 3.58 10.88 16.17 114.12 -126.64 -81.33 140.85 80.37 9.43 10.20 72.34 4.76 3.84 3.85 5.69 0.00 7.42 2.10 4 R C C 168.26 3.12 10.34 15.24 105.05 -115.56 -72.25 96.52 83.30 5.51 11.19 49.02 15.75 19.01 3.31 7.57 0.01 3.86 1.48 5 N C C 114.30 3.18 10.99 15.67 107.54 34.27 -92.11 86.26 89.36 3.38 7.26 47.06 21.61 20.85 1.72 5.54 0.00 2.03 1.20 6 N C C 92.09 5.84 10.80 18.30 113.19 -148.42 -99.71 118.35 98.58 1.17 0.25 62.99 35.23 0.59 0.09 0.12 0.00 0.50 0.49 7 P C C 66.67 8.64 9.64 19.71 113.28 -117.33 -65.90 147.80 93.95 1.41 4.65 72.81 7.97 12.99 1.12 3.62 0.00 0.85 0.63 8 K C C 155.24 2.12 13.99 16.99 97.61 -135.55 -75.21 -23.07 91.39 2.71 5.91 43.34 31.28 16.97 1.43 4.41 0.00 1.44 1.12 9 Y C C 109.10 8.12 10.73 20.18 117.12 41.85 -113.59 120.48 88.48 5.63 5.89 47.01 36.95 4.95 2.58 3.02 0.00 2.98 2.51 10 T C C 77.58 6.56 12.86 20.86 113.77 -143.69 -83.79 138.55 84.24 6.47 9.30 72.12 6.54 5.88 4.05 4.82 0.00 4.40 2.19 11 R C C 127.29 8.54 11.14 20.71 114.06 -131.03 -89.36 134.90 80.25 7.68 12.07 55.48 14.88 9.86 5.22 6.85 0.01 4.84 2.86 12 K C C 134.35 4.06 13.57 19.30 115.19 -144.90 -93.25 136.33 78.79 8.13 13.07 48.96 19.38 10.87 5.07 7.75 0.01 5.52 2.43 13 A C C 67.27 6.97 11.49 19.89 113.51 -123.81 -85.94 133.22 80.53 8.69 10.78 55.07 16.66 8.88 4.22 6.51 0.01 5.84 2.81 14 V C C 82.58 7.59 10.60 19.67 116.53 -150.54 -100.02 130.07 89.34 6.86 3.80 63.57 22.25 3.59 1.98 1.82 0.00 4.37 2.42 15 T C C 96.34 3.73 12.06 17.46 109.71 -129.02 -85.42 127.85 92.58 4.84 2.58 74.79 14.18 3.52 1.19 1.36 0.00 3.10 1.86 16 Q C C 114.67 4.87 10.99 17.80 117.90 -127.90 -96.34 135.45 96.08 2.28 1.64 75.89 18.25 1.93 0.80 0.76 0.00 1.09 1.27 17 P C C 85.05 5.71 10.96 18.36 112.18 -107.55 -68.02 147.43 86.06 1.88 12.06 58.22 11.38 16.15 2.92 9.39 0.00 1.10 0.84 18 A C C 78.87 4.64 11.35 17.65 106.24 -112.88 -79.87 95.59 83.72 2.17 14.11 44.74 16.70 22.37 3.02 11.03 0.00 1.11 1.04 19 T C C 92.20 4.32 12.62 18.45 111.56 145.30 -97.30 115.22 83.20 3.02 13.77 40.72 20.59 22.36 3.13 10.19 0.01 1.44 1.56 20 G C C 39.73 7.82 12.94 21.77 112.58 -53.35 36.35 -21.00 90.91 2.22 6.86 47.95 29.98 13.28 2.20 4.26 0.00 0.93 1.41 21 H C C 98.25 6.11 17.09 24.04 113.70 -34.81 -91.10 126.15 95.09 0.92 3.99 77.11 16.27 1.50 3.46 0.69 0.00 0.33 0.64 22 P H H 51.71 15.04 14.65 29.64 93.95 -133.57 -61.76 -32.79 19.18 0.35 80.47 3.97 2.36 11.24 55.71 26.33 0.04 0.22 0.12 23 A H H 43.73 12.47 16.98 29.70 92.16 63.55 -67.27 -25.42 12.72 0.30 86.98 1.66 1.29 8.19 60.91 27.60 0.07 0.21 0.08 24 D H H 67.59 8.27 20.47 29.43 93.77 61.99 -74.48 -20.35 10.72 0.66 88.62 2.38 1.57 5.80 60.88 28.59 0.16 0.46 0.15 25 I H H 30.76 18.70 17.93 36.13 95.81 61.12 -77.81 -28.19 21.89 3.90 74.20 4.77 4.46 12.69 57.22 16.07 0.95 2.96 0.88 26 I E E 29.00 20.87 16.79 37.21 110.93 63.41 -90.18 116.31 22.97 48.54 28.49 11.29 5.80 7.46 25.88 4.74 0.60 34.87 9.36 27 R E E 115.08 9.55 21.43 30.84 101.62 142.71 -87.22 -24.49 41.33 47.82 10.85 24.58 11.33 5.19 10.66 2.32 0.20 39.19 6.53 28 F C E 93.77 10.73 21.09 31.73 121.88 10.63 -118.89 130.55 56.09 40.33 3.58 33.30 20.28 3.76 2.59 1.22 0.05 36.25 2.56 29 G C C 22.41 17.41 18.57 34.51 120.37 -122.61 -75.97 159.64 71.28 27.49 1.23 60.04 8.00 2.03 0.57 0.64 0.00 26.92 1.80 30 A C C 32.87 16.17 20.52 35.94 111.66 -110.02 -89.11 126.01 68.35 30.11 1.55 57.87 6.88 2.00 0.93 0.81 0.01 22.61 8.89 31 C C C 40.06 18.25 16.49 33.64 118.57 170.06 -107.99 130.97 85.63 13.47 0.90 67.34 16.80 1.64 0.50 0.48 0.00 9.30 3.93 32 N C C 56.47 8.15 18.81 27.77 132.96 103.84 -121.38 173.46 94.07 4.47 1.46 61.88 31.89 0.82 1.35 0.28 0.00 1.61 2.17 33 E H H 137.67 2.90 17.04 21.06 91.24 -97.20 -60.76 -36.79 7.09 0.06 92.85 1.12 2.14 3.98 91.64 1.03 0.03 0.02 0.03 34 K H H 119.57 3.55 19.47 23.39 91.87 52.80 -65.33 -39.87 5.05 0.06 94.89 0.81 0.74 3.51 93.44 1.42 0.03 0.03 0.02 35 A H H 7.51 20.40 13.74 34.28 92.05 49.96 -65.66 -40.70 2.45 0.08 97.47 0.85 0.37 1.31 95.85 1.54 0.01 0.05 0.02 36 V H H 45.58 12.53 17.49 30.54 91.84 52.48 -63.34 -41.43 1.65 0.08 98.27 0.62 0.25 0.81 97.41 0.83 0.01 0.05 0.01 37 R H H 131.51 2.02 22.47 22.90 91.87 50.93 -64.25 -41.21 2.44 0.15 97.41 0.79 0.35 1.34 96.63 0.75 0.02 0.09 0.03 38 L H H 39.30 10.55 17.23 29.26 92.06 50.30 -65.43 -40.64 2.97 0.29 96.74 0.93 0.44 1.72 95.84 0.82 0.03 0.18 0.05 39 I H H 25.39 19.00 13.25 31.74 92.84 50.23 -65.95 -41.63 4.18 0.38 95.44 1.52 0.66 2.24 94.13 1.10 0.03 0.25 0.07 40 E H H 122.77 3.96 17.77 22.73 93.21 48.97 -67.46 -37.96 6.92 0.13 92.95 1.16 0.71 5.00 91.63 1.36 0.03 0.08 0.04 41 N H H 116.04 1.56 17.63 18.33 96.31 42.09 -80.40 -24.06 15.92 0.10 83.98 1.31 1.51 13.09 82.72 1.21 0.05 0.04 0.05 42 N H H 77.33 8.35 15.59 24.71 100.62 25.92 -100.55 4.64 49.69 0.22 50.09 5.52 9.38 33.03 50.37 1.43 0.03 0.07 0.17 43 N C T 79.92 9.50 18.59 28.90 96.04 -126.75 56.72 37.83 98.96 0.68 0.36 33.42 12.23 53.39 0.09 0.21 0.00 0.57 0.08 44 T E E 18.07 17.30 18.96 36.66 127.75 132.48 -117.17 147.83 45.34 54.63 0.03 40.46 3.19 0.13 0.00 0.03 0.00 55.71 0.48 45 L E E 12.31 20.61 23.57 43.98 117.24 -139.95 -101.76 130.78 4.45 95.55 0.00 4.33 0.12 0.01 0.00 0.00 0.00 95.41 0.13 46 V E E 12.89 20.78 25.68 45.75 120.06 -159.61 -112.41 128.97 1.24 98.76 0.00 1.20 0.02 0.00 0.00 0.00 0.00 98.76 0.02 47 F E E 6.15 24.37 24.36 48.13 126.45 -171.14 -120.89 138.34 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 48 I E E 28.45 16.95 27.58 44.36 115.94 -147.85 -103.77 125.05 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.70 0.01 49 C E E 4.12 24.48 19.08 43.66 133.55 -174.84 -130.50 155.53 3.07 96.93 0.00 3.04 0.07 0.00 0.00 0.00 0.00 96.76 0.14 50 D E E 38.61 11.64 22.97 35.16 112.40 -104.25 -72.18 139.03 38.19 61.76 0.05 37.96 0.66 0.06 0.01 0.04 0.00 60.60 0.66 51 K C T 91.66 13.69 17.38 31.16 91.62 -125.11 -63.97 -23.40 98.51 0.80 0.68 0.58 4.96 93.22 0.02 0.62 0.00 0.52 0.09 52 Y C T 157.72 2.82 22.05 25.11 93.10 59.07 -88.40 -2.88 99.14 0.33 0.53 0.72 4.28 94.12 0.02 0.59 0.00 0.23 0.04 53 A C C 8.28 22.47 10.06 32.34 116.43 117.89 -69.80 141.96 98.64 1.17 0.19 66.06 32.42 0.29 0.05 0.12 0.00 0.48 0.57 54 T C C 67.70 3.60 24.80 27.47 124.09 -136.78 -92.74 163.50 93.05 6.83 0.12 92.23 0.82 0.03 0.08 0.01 0.00 0.80 6.02 55 K H H 89.02 15.92 14.75 29.96 91.44 -106.76 -57.68 -39.50 1.49 0.00 98.51 0.13 0.14 1.08 98.33 0.32 0.00 0.00 0.00 56 P H H 88.18 2.70 22.23 24.52 91.49 52.88 -63.71 -39.63 1.33 0.00 98.67 0.07 0.07 1.15 98.18 0.52 0.00 0.00 0.00 57 Q H H 68.49 9.61 21.58 31.47 91.98 48.67 -65.97 -40.64 0.36 0.00 99.64 0.04 0.02 0.26 99.29 0.38 0.00 0.00 0.00 58 I H H 2.24 26.56 16.77 43.99 91.49 49.83 -63.75 -43.54 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 59 G H H 15.32 15.35 21.84 36.93 91.33 51.42 -61.96 -43.09 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 60 N H H 86.60 2.97 27.18 29.45 91.73 49.22 -64.68 -41.30 0.21 0.00 99.79 0.01 0.00 0.17 99.81 0.01 0.00 0.00 0.00 61 A H H 8.93 16.03 21.50 38.35 91.53 50.47 -63.83 -43.28 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 62 V H H 1.99 26.57 17.80 44.97 91.40 49.75 -64.09 -42.85 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 63 T H H 54.23 11.20 20.34 31.60 92.03 50.86 -63.81 -41.52 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 64 R H H 143.54 3.15 22.50 25.51 92.51 48.16 -66.80 -39.94 0.21 0.00 99.79 0.00 0.00 0.19 99.75 0.05 0.00 0.00 0.00 65 F H H 49.37 16.36 17.91 33.81 97.46 38.95 -80.29 -38.98 1.30 0.00 98.70 0.01 0.03 1.28 98.61 0.06 0.00 0.00 0.00 66 Y H H 30.43 19.55 15.22 34.69 102.95 24.68 -109.06 -0.22 17.13 0.09 82.78 0.99 2.35 13.27 82.99 0.28 0.04 0.02 0.06 67 K C T 152.81 2.43 21.80 24.38 94.63 -126.33 55.09 42.05 99.60 0.08 0.33 25.32 10.54 63.81 0.17 0.09 0.00 0.04 0.03 68 V C C 16.26 20.24 12.79 33.27 124.61 135.69 -119.17 140.08 98.69 1.30 0.02 69.92 28.92 0.09 0.01 0.01 0.00 0.79 0.27 69 P C C 69.14 4.89 25.22 30.21 111.50 -116.64 -73.94 132.01 98.89 1.10 0.01 98.38 0.66 0.03 0.00 0.00 0.00 0.85 0.07 70 V E E 16.48 24.20 11.18 34.73 115.84 -152.46 -97.85 129.11 20.56 79.40 0.04 21.82 0.25 0.02 0.01 0.02 0.00 75.77 2.09 71 E E E 106.14 4.30 22.29 26.99 99.33 -177.29 -87.54 -35.97 17.59 82.37 0.04 8.92 8.81 0.35 0.00 0.04 0.00 81.73 0.14 72 K E E 94.24 5.15 24.02 29.96 138.93 -2.26 -153.21 151.18 3.37 96.61 0.02 2.54 0.65 0.08 0.00 0.01 0.00 96.68 0.04 73 V E E 25.45 23.26 13.06 35.50 125.21 -162.30 -128.85 131.67 2.82 97.17 0.01 2.71 0.10 0.01 0.00 0.00 0.00 97.13 0.04 74 N E E 60.18 7.52 24.56 32.41 129.20 -175.71 -127.91 148.20 2.21 97.79 0.01 1.87 0.17 0.01 0.00 0.00 0.00 97.92 0.02 75 T E E 41.54 18.27 15.79 33.37 125.23 -157.52 -118.18 137.10 1.63 98.36 0.01 1.49 0.08 0.01 0.00 0.00 0.00 98.39 0.03 76 A E E 32.73 10.75 18.69 30.68 127.17 -172.65 -124.46 144.02 1.59 98.40 0.01 1.41 0.10 0.01 0.00 0.01 0.00 98.41 0.06 77 R E E 123.49 7.53 15.64 24.63 115.08 -138.55 -100.45 124.77 3.89 96.09 0.02 3.56 0.23 0.02 0.00 0.01 0.00 95.65 0.52 78 S C C 31.98 10.32 9.98 21.82 122.11 -145.16 -84.24 168.01 89.89 10.03 0.08 89.34 0.69 0.12 0.01 0.04 0.00 9.34 0.45 79 I C T 141.92 1.67 11.26 13.98 93.01 -96.40 -64.00 -25.01 93.47 2.68 3.85 2.98 7.19 82.89 0.16 4.18 0.00 2.29 0.32 80 K C T 152.56 1.26 12.15 13.47 94.42 54.53 -86.64 3.06 96.26 0.22 3.52 1.91 5.49 88.42 0.15 3.83 0.00 0.13 0.06 81 G C S 42.31 4.53 13.03 19.14 98.47 -100.71 88.03 5.89 96.63 0.71 2.66 17.49 71.24 7.81 0.15 2.65 0.00 0.44 0.22 82 Y C C 82.58 8.90 13.62 24.27 119.10 137.68 -85.64 143.15 88.22 11.72 0.06 86.02 2.11 0.19 0.01 0.04 0.00 10.81 0.83 83 K E E 59.74 13.06 16.57 30.59 120.39 -141.64 -105.38 136.72 1.84 98.16 0.00 1.73 0.07 0.00 0.00 0.00 0.00 97.93 0.27 84 K E E 51.63 14.27 21.04 35.38 130.23 -170.36 -127.76 146.35 0.56 99.44 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.48 0.00 85 A E E 6.80 20.90 19.80 41.00 125.17 -155.45 -117.03 140.43 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 86 Y E E 37.55 15.09 24.79 40.12 122.50 -161.16 -116.09 132.84 0.29 99.71 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.72 0.01 87 V E E 6.16 23.42 20.28 43.89 123.62 -167.03 -119.57 133.31 0.76 99.24 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.28 0.01 88 K E E 71.46 11.00 26.42 37.68 118.90 -153.98 -105.69 131.60 3.25 96.75 0.00 2.96 0.17 0.01 0.00 0.00 0.00 96.77 0.09 89 L E E 12.16 23.04 14.10 37.22 116.25 -132.69 -83.82 138.84 21.16 78.68 0.15 19.81 1.13 0.13 0.07 0.08 0.00 76.90 1.87 90 K C C 89.00 7.89 19.37 27.78 113.70 -115.69 -73.35 155.43 86.32 12.32 1.35 76.59 7.32 1.80 0.42 0.92 0.00 11.63 1.32 91 N C T 106.16 5.11 17.01 23.22 100.76 -86.10 -66.96 -20.73 76.54 2.34 21.12 13.86 20.33 43.67 5.17 14.45 0.06 1.34 1.13 92 E C T 120.32 5.86 16.77 23.44 97.81 48.95 -72.35 -12.15 76.64 0.94 22.41 8.52 14.53 53.53 6.82 15.36 0.03 0.50 0.71 93 G C T 24.01 13.18 15.48 28.55 98.64 55.50 -69.07 -22.74 70.88 2.92 26.21 23.92 23.60 24.87 9.90 14.60 0.06 1.32 1.72 94 D C C 61.28 10.11 19.33 29.81 96.94 74.35 -72.94 -27.38 65.50 3.91 30.59 46.85 8.82 9.30 22.88 8.36 0.01 2.20 1.58 95 A H H 22.12 16.70 17.80 34.32 93.73 70.34 -68.04 -31.68 46.25 6.34 47.41 26.99 10.24 10.74 36.80 9.28 0.16 4.02 1.77 96 L H H 36.06 17.32 17.61 34.40 93.74 59.04 -67.82 -30.81 38.99 6.75 54.26 26.25 6.93 7.38 44.79 8.21 0.08 5.08 1.28 97 K H H 109.41 5.26 22.70 28.24 92.86 64.16 -65.79 -34.74 32.86 5.78 61.35 25.02 4.45 4.96 54.13 5.92 0.03 4.63 0.87 98 I H H 38.53 13.03 18.48 32.12 92.81 53.33 -66.93 -39.99 19.63 5.03 75.33 12.31 3.86 5.53 68.06 5.18 0.10 4.22 0.74 99 A H H 14.46 18.36 14.42 32.75 92.44 52.93 -64.55 -41.61 18.81 3.69 77.50 11.01 3.46 6.18 69.72 5.78 0.11 3.08 0.65 100 N H H 92.87 5.34 17.55 23.88 92.64 51.73 -66.23 -37.41 22.12 2.57 75.31 10.21 4.09 9.50 64.85 8.58 0.17 1.96 0.63 101 E H H 124.29 3.40 16.83 20.99 92.61 52.98 -68.72 -29.73 27.78 2.05 70.16 7.30 4.77 16.81 60.75 7.93 0.36 1.42 0.66 102 A C T 40.25 12.23 12.64 25.46 94.99 51.60 -84.68 -6.53 57.19 1.50 41.32 5.63 7.66 42.34 35.29 7.21 0.28 0.85 0.75 103 G C T 51.19 3.52 16.71 21.28 96.96 -113.47 76.74 15.28 93.21 1.75 5.04 17.18 9.28 67.37 2.91 1.64 0.00 1.17 0.44 104 I C C 58.45 13.47 12.00 25.76 104.10 123.25 -90.48 13.67 88.05 9.60 2.35 81.95 2.54 3.62 1.42 0.69 0.00 6.23 3.54 105 I C C 72.87 13.06 15.69 28.45 113.49 141.65 -98.34 117.51 98.60 1.35 0.05 98.62 0.20 0.06 0.02 0.01 0.00 0.98 0.10