# 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 99.47 8.19 15.40 24.44 114.35 174.42 -94.48 125.43 99.79 0.20 0.01 99.75 0.08 0.04 0.00 0.00 0.00 0.10 0.02 1 L C C 100.62 6.78 14.93 22.83 114.08 -140.21 -91.57 127.34 87.16 12.41 0.43 84.83 2.05 0.76 0.23 0.16 0.00 7.17 4.81 2 M C C 40.44 16.27 9.04 24.87 119.49 -145.29 -96.86 137.28 92.59 7.30 0.11 68.61 24.57 0.22 0.07 0.04 0.00 4.94 1.55 3 P C C 66.72 3.42 16.04 20.20 114.96 -106.01 -65.18 152.25 96.95 2.79 0.26 96.95 0.57 0.11 0.18 0.03 0.00 1.65 0.52 4 K H H 141.55 3.93 11.85 17.91 91.71 -109.90 -57.63 -38.50 5.37 0.02 94.62 0.96 0.88 3.37 90.18 4.59 0.01 0.01 0.01 5 E H H 139.05 1.05 15.83 15.76 91.83 53.22 -65.16 -37.87 4.20 0.01 95.79 0.48 0.42 3.11 90.53 5.44 0.01 0.01 0.00 6 D H H 51.28 8.80 14.33 24.58 93.85 46.77 -71.15 -33.92 3.53 0.03 96.44 0.84 0.41 2.11 89.88 6.72 0.00 0.02 0.01 7 R H H 57.89 17.26 13.49 30.14 91.81 56.07 -61.94 -42.13 1.04 0.01 98.95 0.34 0.12 0.46 98.72 0.36 0.00 0.00 0.00 8 N H H 88.85 3.98 20.59 24.92 91.59 51.14 -64.11 -40.71 0.66 0.00 99.34 0.12 0.05 0.36 99.32 0.15 0.00 0.00 0.00 9 K H H 104.24 3.59 22.38 25.62 91.72 49.57 -64.97 -41.65 0.48 0.00 99.52 0.08 0.03 0.27 99.48 0.14 0.00 0.00 0.00 10 I H H 9.36 21.04 17.83 39.12 91.47 49.51 -63.81 -43.85 0.32 0.00 99.68 0.04 0.02 0.19 99.65 0.09 0.00 0.00 0.00 11 H H H 37.85 18.39 20.11 37.61 91.32 50.89 -62.82 -42.49 0.52 0.00 99.48 0.06 0.03 0.36 99.40 0.16 0.00 0.00 0.00 12 Q H H 93.19 3.60 24.06 27.26 91.57 50.86 -64.02 -41.65 0.72 0.00 99.28 0.05 0.03 0.59 99.13 0.20 0.00 0.00 0.00 13 Y H H 56.60 9.99 21.83 32.75 91.82 49.37 -64.63 -42.66 0.81 0.00 99.19 0.06 0.05 0.67 98.95 0.27 0.00 0.00 0.00 14 L H H 4.46 24.89 16.77 41.79 91.63 49.45 -64.70 -42.80 1.14 0.01 98.85 0.10 0.10 0.95 98.27 0.58 0.01 0.00 0.00 15 F H H 60.41 16.57 19.07 34.59 93.51 47.06 -68.08 -39.07 2.69 0.01 97.30 0.17 0.18 2.38 95.91 1.32 0.02 0.01 0.00 16 Q H H 119.20 2.57 22.71 24.99 95.39 44.40 -74.75 -37.52 7.45 0.02 92.52 0.30 0.49 6.76 91.15 1.25 0.03 0.01 0.01 17 E H H 84.97 8.53 20.90 29.75 98.59 29.19 -98.14 -13.83 23.84 0.10 76.05 1.31 3.36 19.08 75.05 1.03 0.07 0.03 0.07 18 G C T 9.15 17.58 20.07 37.60 99.02 -118.69 78.84 15.68 95.96 3.37 0.66 35.99 16.81 43.33 0.22 0.36 0.00 3.02 0.27 19 V E E 14.11 20.42 23.63 43.43 123.73 130.93 -114.81 137.24 29.93 70.01 0.06 27.49 1.58 0.10 0.02 0.04 0.00 70.10 0.68 20 V E E 5.95 23.95 24.59 47.90 123.39 -162.10 -115.81 134.75 3.47 96.51 0.02 3.41 0.14 0.01 0.01 0.01 0.00 96.05 0.37 21 V E E 22.48 18.44 26.71 44.35 120.19 -157.48 -111.71 130.00 3.13 96.85 0.02 2.99 0.14 0.02 0.01 0.01 0.00 96.38 0.46 22 A E E 7.03 22.76 17.49 40.21 121.03 -146.14 -95.01 145.16 18.64 81.27 0.10 17.55 0.90 0.10 0.04 0.05 0.00 80.32 1.04 23 K C C 103.02 8.33 21.87 30.31 112.26 -119.31 -76.07 144.87 68.59 30.38 1.03 33.42 31.93 4.19 0.17 0.86 0.00 28.21 1.23 24 K C S 109.79 8.72 18.92 27.77 112.70 -89.61 -77.38 143.55 92.12 5.61 2.26 14.49 66.39 11.39 0.31 1.75 0.00 4.64 1.02 25 D C C 65.21 9.55 16.96 26.97 108.25 32.15 -98.55 99.81 93.77 3.34 2.88 78.59 8.55 6.12 0.49 2.83 0.00 2.07 1.36 26 F C T 73.51 15.56 12.94 28.19 97.00 -163.10 -77.74 -12.25 91.99 2.67 5.34 25.72 19.11 47.21 1.03 4.30 0.00 1.36 1.27 27 N C T 113.79 3.47 18.47 22.66 97.98 60.97 -90.19 21.70 92.50 1.71 5.80 20.54 23.32 48.74 1.07 4.60 0.00 0.89 0.84 28 Q C C 65.25 13.20 11.54 25.12 115.81 137.06 -80.68 141.05 90.90 2.34 6.76 59.37 27.11 4.50 2.29 4.14 0.00 0.89 1.70 29 A C C 59.78 5.69 16.49 23.19 114.68 -104.54 -69.49 150.90 90.57 3.19 6.24 76.91 8.23 5.25 2.24 3.88 0.00 1.67 1.82 30 K C C 134.27 5.50 14.22 21.80 115.48 -111.22 -84.72 138.34 81.17 12.49 6.33 61.93 12.16 5.27 2.58 3.86 0.01 4.84 9.34 31 H C C 44.74 15.04 8.32 23.20 114.66 -134.66 -96.50 128.15 85.42 10.38 4.20 73.06 7.92 3.31 2.06 2.10 0.01 4.43 7.10 32 E C T 164.23 0.74 15.00 14.62 93.42 -140.98 -67.91 -26.82 91.11 0.95 7.94 11.14 20.49 59.71 1.79 5.83 0.00 0.53 0.51 33 E C T 122.02 4.09 13.69 18.98 96.30 50.17 -84.57 -21.58 91.64 0.86 7.49 8.15 23.22 60.69 1.52 5.47 0.00 0.47 0.47 34 I C S 33.27 17.33 9.05 25.50 119.80 49.71 -116.89 129.59 84.16 7.16 8.67 27.99 31.93 24.64 2.35 5.70 0.05 3.08 4.25 35 D C C 118.86 1.69 19.02 20.37 100.25 -139.43 -76.02 45.47 93.64 4.05 2.31 51.58 28.47 13.97 1.10 1.13 0.00 2.65 1.10 36 T C C 33.14 14.50 12.75 27.85 127.49 109.98 -118.26 150.94 84.30 10.23 5.48 56.89 23.78 3.62 4.45 1.49 0.02 5.07 4.69 37 K C C 100.95 6.40 22.47 28.81 110.66 -104.17 -74.35 139.06 76.20 11.52 12.29 69.29 3.80 2.54 11.85 1.43 0.00 5.10 5.99 38 N H H 33.11 20.87 15.11 34.83 95.24 -128.18 -63.61 -34.54 23.02 0.59 76.39 16.59 3.14 3.89 74.77 1.15 0.00 0.27 0.19 39 L H H 74.71 8.43 22.11 30.90 91.68 63.11 -63.13 -34.76 3.38 0.06 96.55 1.44 0.43 1.47 95.76 0.85 0.00 0.03 0.01 40 Y H H 80.47 9.31 23.11 32.84 91.80 53.86 -64.81 -40.66 0.75 0.02 99.23 0.27 0.08 0.37 98.60 0.65 0.00 0.02 0.00 41 V H H 3.03 25.21 18.84 44.24 91.66 50.02 -63.86 -43.60 0.25 0.01 99.74 0.07 0.02 0.12 99.54 0.24 0.00 0.00 0.00 42 I H H 25.67 18.23 21.78 39.36 91.41 50.28 -63.15 -42.72 0.21 0.00 99.79 0.04 0.01 0.12 99.64 0.18 0.00 0.00 0.00 43 K H H 107.60 4.26 26.34 30.75 91.61 51.07 -64.00 -40.90 0.58 0.00 99.41 0.06 0.03 0.43 99.04 0.44 0.00 0.00 0.00 44 A H H 15.36 16.06 20.94 37.31 91.65 50.80 -64.96 -40.41 2.60 0.00 97.39 0.13 0.12 2.20 96.73 0.81 0.00 0.00 0.00 45 L H H 6.06 24.71 17.40 41.97 92.36 51.32 -71.76 -30.60 12.14 0.06 87.79 1.35 0.98 9.51 85.52 2.56 0.02 0.03 0.03 46 Q H H 91.97 9.90 21.02 31.16 92.67 68.91 -62.92 -36.21 35.19 0.55 64.26 4.12 3.15 27.42 56.89 7.70 0.14 0.32 0.26 47 S C H 61.32 4.73 21.87 26.59 92.56 54.18 -72.61 -25.44 50.29 1.04 48.68 7.38 5.50 36.37 40.51 9.02 0.14 0.63 0.44 48 L C C 23.92 19.54 14.10 33.13 94.54 60.88 -74.45 -22.57 54.15 6.73 39.12 29.06 12.75 13.66 28.94 9.10 0.23 4.06 2.19 49 T C C 60.67 13.33 15.71 28.55 96.56 71.80 -74.42 -26.27 52.74 21.62 25.64 34.32 9.11 9.45 19.97 6.22 0.28 15.31 5.34 50 S C C 75.46 3.84 16.77 21.33 95.53 66.45 -79.63 -5.89 46.51 32.93 20.56 23.42 12.39 12.21 13.49 6.85 1.24 20.19 10.21 51 K C T 124.11 5.35 15.41 21.96 97.71 56.08 -87.54 14.70 87.57 3.22 9.21 5.31 17.50 65.41 3.25 5.02 0.06 1.98 1.47 52 G C T 47.89 4.78 18.29 23.95 94.90 -104.88 79.50 6.56 96.84 0.47 2.69 3.02 18.96 75.31 0.29 1.96 0.00 0.30 0.16 53 Y C S 52.05 15.53 16.50 32.31 98.55 104.82 -92.19 -19.10 70.68 27.83 1.50 13.99 29.91 29.11 0.22 1.27 0.01 23.65 1.84 54 V E E 7.30 23.70 12.39 36.24 130.91 42.37 -129.64 145.33 15.75 84.18 0.06 12.55 3.03 0.20 0.02 0.04 0.00 81.75 2.39 55 K E E 107.00 4.88 24.46 29.58 120.51 -147.21 -106.75 139.42 5.22 94.77 0.00 4.95 0.17 0.01 0.00 0.00 0.00 94.72 0.16 56 T E E 50.40 18.87 13.29 30.88 123.81 -152.49 -114.55 136.78 2.19 97.81 0.00 2.19 0.04 0.00 0.00 0.00 0.00 97.72 0.04 57 Q E E 85.41 5.85 18.93 25.90 124.66 -173.07 -127.32 137.29 1.41 98.58 0.00 1.30 0.08 0.00 0.00 0.00 0.00 98.56 0.06 58 F E E 112.92 9.83 12.36 23.20 118.33 -148.35 -106.02 131.11 8.83 91.16 0.01 7.63 0.68 0.06 0.00 0.01 0.00 91.33 0.29 59 S C C 49.08 6.08 12.55 20.35 125.00 175.38 -125.78 157.09 77.06 22.89 0.04 72.19 2.98 0.23 0.01 0.03 0.00 24.16 0.40 60 W C S 198.39 2.18 13.78 16.55 96.77 -67.36 -48.23 -31.25 99.40 0.41 0.19 4.54 72.57 22.38 0.01 0.16 0.00 0.28 0.07 61 Q C S 116.90 4.52 14.26 19.76 102.23 6.88 -102.02 -11.08 98.93 0.91 0.16 3.29 73.86 21.88 0.01 0.13 0.00 0.75 0.08 62 Y E E 73.72 10.26 15.02 26.66 132.67 45.55 -133.82 151.15 33.66 66.30 0.04 26.00 6.68 0.36 0.00 0.04 0.00 66.45 0.46 63 Y E E 42.58 15.03 16.88 32.99 121.31 -144.76 -112.53 134.36 2.68 97.32 0.00 2.52 0.09 0.00 0.00 0.00 0.00 97.30 0.08 64 Y E E 29.48 15.29 21.28 37.50 125.97 -169.47 -122.42 138.87 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 65 Y E E 17.22 20.74 21.01 41.68 124.32 -161.21 -116.41 138.33 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.01 66 T E E 23.49 15.01 25.77 40.77 126.87 -168.61 -122.16 141.92 1.32 98.68 0.00 1.23 0.05 0.00 0.00 0.00 0.00 98.67 0.05 67 L E E 6.96 24.37 17.11 42.14 113.76 -120.40 -79.82 133.86 15.15 84.84 0.01 14.95 0.35 0.01 0.00 0.00 0.00 83.63 1.05 68 T C C 30.70 10.67 21.30 32.97 124.10 -134.88 -83.95 167.22 95.76 4.19 0.05 95.38 0.88 0.03 0.02 0.01 0.00 3.48 0.20 69 E H H 123.11 5.33 19.21 25.86 90.89 -100.16 -59.21 -37.44 1.92 0.00 98.08 0.29 0.23 1.25 97.83 0.40 0.00 0.00 0.00 70 E H H 105.60 3.06 22.76 25.31 91.43 52.91 -64.13 -40.16 0.68 0.00 99.32 0.04 0.03 0.54 98.96 0.43 0.00 0.00 0.00 71 G H H 2.64 21.60 16.03 38.19 91.45 50.33 -63.92 -42.37 0.46 0.00 99.54 0.05 0.02 0.31 99.16 0.45 0.00 0.00 0.00 72 V H H 16.18 19.49 18.12 37.43 91.55 50.74 -63.38 -42.33 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 104.96 2.75 24.38 26.18 91.40 50.74 -63.66 -41.85 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 74 Y H H 63.34 8.97 21.25 31.32 91.79 49.16 -64.30 -42.61 0.24 0.00 99.76 0.01 0.01 0.18 99.76 0.04 0.00 0.00 0.00 75 L H H 4.22 24.49 15.85 40.61 91.61 49.05 -64.46 -42.73 0.19 0.00 99.81 0.02 0.01 0.13 99.79 0.06 0.00 0.00 0.00 76 R H H 75.61 13.03 17.36 30.50 91.75 50.21 -63.65 -41.23 0.19 0.00 99.81 0.01 0.00 0.14 99.78 0.07 0.00 0.00 0.00 77 E H H 135.02 1.36 20.73 20.45 92.98 46.88 -66.83 -40.60 0.48 0.00 99.52 0.02 0.01 0.41 99.44 0.12 0.00 0.00 0.00 78 Y H H 90.43 10.69 17.08 28.22 95.60 42.30 -76.00 -37.99 3.06 0.00 96.93 0.05 0.10 2.92 96.73 0.19 0.00 0.00 0.00 79 L H H 25.19 18.29 13.74 32.17 98.04 32.12 -98.49 -5.17 34.50 0.09 65.41 1.08 3.14 29.26 65.74 0.64 0.04 0.02 0.08 80 N C T 121.23 2.18 20.98 23.02 93.76 -124.85 58.41 39.85 99.57 0.06 0.36 23.67 3.31 72.73 0.15 0.09 0.00 0.03 0.02 81 L C C 22.60 20.37 8.86 28.15 120.01 162.19 -89.55 146.15 99.70 0.26 0.04 93.09 6.50 0.11 0.01 0.02 0.00 0.08 0.19 82 P C C 62.38 4.40 18.21 23.40 114.37 -104.08 -65.57 150.29 99.45 0.24 0.32 98.50 0.69 0.37 0.05 0.17 0.00 0.08 0.13 83 E C T 131.94 6.43 13.09 21.34 92.84 -112.40 -63.16 -25.72 95.08 0.41 4.51 3.21 18.07 73.20 0.27 4.80 0.00 0.24 0.20 84 H C T 147.24 1.91 18.06 19.92 95.93 62.83 -84.27 -0.94 93.37 1.87 4.77 6.40 12.73 73.34 0.32 5.38 0.00 1.41 0.42 85 I C C 47.00 16.17 12.17 28.21 111.60 105.31 -84.55 122.10 83.00 13.00 4.00 59.98 18.34 4.09 0.86 3.64 0.00 7.04 6.04 86 V C C 57.51 11.41 16.48 28.70 118.11 -159.80 -107.00 128.12 85.85 13.58 0.57 70.93 14.53 0.75 0.22 0.39 0.00 9.88 3.31 87 P C C 46.82 12.48 13.72 27.05 113.28 -112.74 -66.44 148.62 79.54 12.85 7.61 67.65 6.53 4.54 1.67 6.48 0.00 10.24 2.88 88 G C C 43.79 7.00 13.88 22.09 101.42 -123.87 -70.78 -19.69 65.81 2.94 31.25 35.69 14.65 14.19 2.58 30.27 0.00 1.80 0.83 89 T C G 89.33 4.97 12.84 19.10 101.69 62.70 -83.10 -8.08 61.47 3.75 34.78 29.19 14.50 18.01 2.67 32.37 0.00 2.29 0.97 90 Y C C 135.43 6.47 10.52 18.40 102.81 67.55 -88.28 13.59 65.93 4.13 29.95 50.01 4.56 11.36 3.34 26.90 0.00 2.78 1.04 91 I C C 92.65 8.66 11.70 21.24 107.97 96.75 -89.64 73.74 99.69 0.24 0.07 99.54 0.17 0.10 0.03 0.01 0.00 0.13 0.03