# 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 99.06 9.10 13.89 23.65 114.24 -146.86 -91.34 128.65 99.16 0.76 0.08 98.94 0.31 0.15 0.03 0.01 0.00 0.39 0.16 1 A C C 60.87 8.06 9.89 19.12 114.73 -119.85 -85.53 138.29 85.68 10.29 4.03 76.68 3.26 5.40 1.67 1.97 0.00 5.76 5.25 2 S C C 88.07 2.18 11.09 14.67 109.24 -122.82 -83.96 117.82 85.37 8.52 6.12 45.20 21.22 19.59 1.23 4.89 0.01 4.51 3.36 3 G C T 61.24 1.68 11.17 13.96 105.53 -14.73 32.41 16.13 90.07 3.55 6.38 20.49 30.70 39.20 0.79 5.49 0.00 2.03 1.30 4 G C S 54.65 2.93 11.53 15.98 111.72 30.46 93.14 151.61 90.72 4.72 4.56 30.30 30.49 30.20 0.55 4.28 0.00 2.77 1.42 5 G C C 46.48 3.86 12.73 18.16 122.82 -100.77 121.29 -176.44 85.68 13.27 1.05 56.09 25.35 4.27 0.27 0.95 0.00 7.50 5.56 6 V C C 86.73 7.98 11.45 20.82 118.55 -61.72 -95.53 135.94 84.39 15.49 0.12 72.26 12.36 0.30 0.06 0.08 0.00 9.81 5.14 7 P C C 54.49 9.76 11.54 22.76 116.43 -108.92 -67.85 152.63 90.12 9.77 0.11 88.57 1.97 0.16 0.05 0.04 0.00 5.99 3.20 8 T C C 71.85 4.12 15.63 20.54 120.59 -117.45 -81.75 163.06 98.24 1.35 0.41 95.95 2.14 0.23 0.30 0.07 0.00 0.45 0.86 9 D H H 95.21 6.67 12.40 20.59 94.09 -102.62 -60.59 -33.75 11.93 0.10 87.97 1.92 2.15 7.90 77.09 10.78 0.06 0.05 0.05 10 E H H 125.89 3.79 13.74 18.81 92.58 57.92 -66.95 -31.97 8.99 0.08 90.93 1.26 1.01 6.32 78.76 12.55 0.03 0.05 0.03 11 E H H 115.53 4.05 14.80 19.91 94.76 53.33 -79.51 -20.22 7.45 0.15 92.40 1.68 1.11 4.58 79.89 12.58 0.03 0.10 0.04 12 Q H H 82.19 8.90 13.67 23.52 100.21 53.41 -88.34 -6.99 16.25 0.53 83.22 5.65 3.67 8.54 76.57 5.00 0.08 0.25 0.25 13 A C H 37.74 11.61 11.80 24.40 112.97 97.62 -81.99 134.35 51.36 2.01 46.63 28.89 8.87 13.88 44.27 2.27 0.03 0.84 0.95 14 T C H 66.56 5.82 16.37 23.29 117.72 -136.07 -97.33 160.00 54.69 2.04 43.27 30.66 9.70 14.05 41.50 2.24 0.02 0.81 1.01 15 G H H 36.41 5.43 18.21 24.27 108.46 -13.29 47.86 -127.91 34.91 0.92 64.17 12.01 12.29 12.38 60.28 2.11 0.12 0.35 0.47 16 L H H 72.83 10.66 16.43 27.48 93.32 -0.52 -65.93 -37.58 15.94 0.41 83.65 6.47 3.33 7.11 80.91 1.77 0.04 0.18 0.20 17 E H H 78.06 10.26 16.45 27.38 91.66 54.24 -63.47 -40.15 7.09 0.22 92.68 3.70 1.18 2.73 91.06 1.14 0.01 0.10 0.08 18 R H H 120.01 4.64 19.32 24.64 91.82 51.33 -64.34 -40.49 2.47 0.07 97.46 1.07 0.38 1.13 96.89 0.47 0.01 0.03 0.02 19 E H H 82.41 7.31 19.84 27.72 91.80 50.13 -64.31 -41.55 0.89 0.03 99.08 0.34 0.11 0.43 98.91 0.18 0.00 0.01 0.00 20 I H H 39.47 13.09 17.20 31.08 92.04 49.72 -64.35 -42.50 0.36 0.01 99.63 0.11 0.03 0.17 99.61 0.07 0.00 0.00 0.00 21 M H H 73.61 6.45 19.64 26.91 91.75 50.14 -63.58 -41.56 0.23 0.00 99.77 0.05 0.01 0.12 99.77 0.04 0.00 0.00 0.00 22 I H H 76.20 3.61 19.97 23.71 91.82 49.65 -64.31 -42.07 0.24 0.00 99.76 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 23 A H H 15.83 9.56 13.62 25.87 91.43 51.04 -63.32 -41.62 0.44 0.00 99.56 0.06 0.02 0.28 99.55 0.10 0.00 0.00 0.00 24 A H H 49.42 8.42 13.71 23.37 91.88 51.14 -64.02 -39.96 0.90 0.00 99.10 0.07 0.03 0.70 98.88 0.31 0.00 0.00 0.00 25 Q H H 135.62 1.86 14.45 16.81 90.92 52.92 -66.13 -29.61 6.08 0.01 93.91 0.15 0.16 6.01 93.21 0.46 0.01 0.00 0.00 26 K C T 140.89 1.80 13.23 15.36 93.14 49.50 -89.13 -0.70 76.20 0.02 23.77 0.30 0.81 74.75 23.55 0.56 0.00 0.00 0.02 27 G C T 62.04 1.15 13.93 15.04 94.25 -109.59 78.25 14.39 99.86 0.01 0.13 1.45 0.94 97.54 0.04 0.02 0.00 0.00 0.00 28 L C C 76.90 6.97 11.45 20.40 120.00 136.73 -99.32 141.44 98.81 1.13 0.06 95.07 3.45 0.10 0.03 0.02 0.00 0.30 1.02 29 D C C 72.98 6.11 17.64 25.02 108.04 -121.61 -84.65 114.92 99.59 0.29 0.12 98.48 1.06 0.15 0.02 0.05 0.00 0.11 0.14 30 P H G 26.21 19.12 12.59 32.06 93.11 -160.34 -67.09 -21.07 48.60 0.85 50.54 13.65 6.04 24.71 1.05 53.83 0.00 0.52 0.20 31 Y H G 95.03 12.73 16.30 29.15 93.56 69.50 -73.44 -14.92 46.77 1.15 52.08 4.18 6.20 33.49 1.18 53.97 0.00 0.69 0.29 32 N H G 103.77 3.77 20.26 24.49 96.75 55.66 -92.12 14.54 44.99 2.09 52.92 16.45 9.61 17.58 1.43 53.20 0.00 1.20 0.54 33 M C C 50.10 18.00 10.96 28.18 116.68 122.86 -83.56 137.83 86.14 7.11 6.74 57.78 22.04 5.23 1.60 5.41 0.00 2.79 5.14 34 L C C 97.84 5.44 19.65 25.86 117.60 -134.90 -95.30 134.09 92.82 6.88 0.30 65.78 27.03 0.52 0.12 0.18 0.00 2.75 3.63 35 P C C 71.55 11.83 16.27 28.29 115.66 -108.08 -69.37 145.23 98.74 1.22 0.05 94.25 4.49 0.17 0.01 0.03 0.00 0.75 0.30 36 P C C 39.95 17.98 11.83 29.38 115.01 -106.94 -66.58 148.17 96.50 3.11 0.39 92.86 3.06 0.77 0.11 0.23 0.00 1.64 1.32 37 K C C 147.79 2.68 19.69 23.10 113.27 -125.42 -87.16 130.46 84.65 14.74 0.62 72.03 10.63 1.44 0.24 0.44 0.00 7.38 7.84 38 A C C 55.80 12.60 13.79 26.39 121.41 -128.66 -96.12 144.44 82.29 16.97 0.74 70.28 9.92 1.45 0.26 0.57 0.00 11.08 6.44 39 A C C 45.15 10.50 15.04 26.48 121.68 -145.04 -100.15 153.93 87.01 12.36 0.63 80.30 5.28 1.23 0.20 0.46 0.00 8.32 4.22 40 S C C 78.43 4.11 18.43 23.53 114.36 -105.06 -84.01 140.81 87.26 11.83 0.90 60.16 19.82 7.49 0.23 0.81 0.00 7.35 4.15 41 G C S 31.03 11.09 14.74 26.16 125.30 67.34 129.04 -167.06 92.15 7.33 0.52 28.87 54.12 9.44 0.08 0.54 0.00 5.04 1.90 42 T C C 56.31 5.81 19.05 25.65 129.85 -75.42 -118.47 160.85 85.46 13.99 0.54 55.08 27.91 1.43 0.24 0.31 0.00 4.00 11.04 43 K C T 101.20 13.50 12.60 25.95 92.11 -108.06 -62.84 -26.19 96.47 1.82 1.72 3.75 46.04 46.94 0.12 1.48 0.00 1.08 0.60 44 E C T 144.63 1.86 17.72 19.37 94.77 56.20 -75.75 -22.81 96.66 1.92 1.43 3.31 46.56 47.02 0.08 1.32 0.00 1.25 0.46 45 D C S 88.08 4.13 18.17 23.09 109.99 31.07 -124.00 76.13 93.76 5.65 0.59 26.08 66.47 1.77 0.11 0.43 0.00 3.02 2.12 46 P C C 28.46 20.55 11.82 31.59 117.86 -157.79 -68.48 148.74 93.83 5.92 0.26 89.59 3.32 1.08 0.05 0.20 0.00 4.76 1.00 47 N C E 48.82 12.19 21.51 34.22 115.85 -129.86 -95.69 132.26 49.96 49.90 0.14 36.92 12.83 0.99 0.03 0.15 0.00 47.02 2.06 48 L E E 63.64 15.18 21.76 36.19 118.02 -142.98 -99.61 129.29 7.43 92.53 0.04 6.56 0.80 0.06 0.01 0.02 0.00 90.05 2.49 49 V E E 13.32 20.66 18.77 39.45 119.98 -169.34 -120.84 124.70 8.63 91.34 0.02 8.18 0.43 0.04 0.01 0.01 0.00 90.41 0.92 50 P E E 54.93 8.91 24.21 33.64 114.45 -117.43 -69.02 143.38 28.11 71.77 0.12 25.43 1.95 0.26 0.03 0.09 0.00 71.28 0.97 51 S C C 15.70 21.45 13.79 34.36 124.49 -153.30 -107.71 156.92 77.75 20.72 1.53 70.56 4.78 1.65 0.34 1.34 0.00 17.08 4.25 52 I C T 77.72 10.37 18.40 29.06 100.49 -121.67 -80.76 -8.61 87.77 7.16 5.07 10.28 31.23 46.71 0.40 4.72 0.01 4.98 1.67 53 S C T 55.39 7.77 17.86 25.98 110.57 41.24 -94.66 20.04 93.35 1.96 4.69 4.43 31.91 57.17 0.27 4.43 0.00 1.28 0.50 54 N C S 109.59 5.75 18.32 25.00 95.56 -93.91 -1.68 21.44 91.93 4.34 3.74 17.73 58.28 15.84 0.28 3.68 0.00 3.15 1.05 55 K C C 69.16 12.50 18.02 30.97 127.44 111.30 -112.71 148.04 74.67 24.86 0.47 56.68 13.77 3.25 0.08 0.47 0.00 24.30 1.45 56 R E E 56.45 16.72 21.34 37.52 120.94 -139.63 -106.77 136.40 22.44 77.49 0.06 20.28 1.69 0.14 0.01 0.05 0.00 77.04 0.78 57 I E E 14.37 21.10 23.51 44.26 119.15 -151.32 -107.10 130.49 2.88 97.11 0.00 2.67 0.09 0.00 0.00 0.00 0.00 97.11 0.13 58 V E E 6.67 23.15 25.94 48.36 122.81 -164.78 -114.80 132.40 0.96 99.04 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.11 0.02 59 G E E 3.26 22.38 26.03 47.41 139.81 138.63 -141.14 164.42 0.68 99.32 0.00 0.57 0.04 0.00 0.00 0.00 0.00 99.37 0.01 60 C E E 7.36 22.34 24.17 46.07 131.95 -142.14 -134.74 147.53 1.07 98.93 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.92 0.03 61 I E E 39.54 14.39 24.18 38.78 115.97 -130.93 -95.55 128.56 3.25 96.73 0.01 2.96 0.20 0.02 0.00 0.01 0.00 96.60 0.21 62 C E E 18.09 17.44 15.26 32.93 124.43 -162.87 -107.78 158.25 23.58 76.30 0.13 19.27 3.74 0.46 0.03 0.10 0.00 75.71 0.70 63 E C E 96.89 5.92 17.54 24.06 119.33 -123.34 -96.78 155.32 54.98 43.03 1.99 37.22 14.57 4.42 0.33 1.78 0.00 39.85 1.84 64 E C T 128.26 4.82 13.57 19.71 97.15 -90.78 -65.07 -32.96 84.08 4.37 11.55 6.33 17.57 58.55 0.59 12.53 0.01 3.67 0.74 65 D C T 113.66 2.01 14.29 16.49 99.57 22.58 -87.01 7.13 88.29 0.75 10.96 6.70 13.73 65.78 0.64 12.37 0.00 0.48 0.30 66 N C T 82.47 8.56 12.87 22.32 105.28 -18.50 -52.20 68.07 81.80 7.72 10.48 20.21 25.63 36.30 0.71 10.34 0.01 5.47 1.33 67 C C C 60.98 9.89 15.10 25.77 103.82 157.72 -96.15 10.92 59.80 39.11 1.09 40.50 10.44 8.16 0.16 1.01 0.00 38.64 1.09 68 T E E 45.37 9.77 19.72 30.47 123.39 124.62 -109.13 141.57 24.09 75.82 0.09 20.52 2.63 0.28 0.02 0.06 0.00 76.02 0.47 69 V E E 22.75 20.10 17.53 37.49 118.69 -142.17 -103.54 129.56 3.81 96.18 0.01 3.53 0.15 0.01 0.00 0.00 0.00 96.24 0.06 70 I E E 27.71 15.36 23.22 39.04 119.23 -161.48 -109.96 128.95 0.44 99.56 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.01 71 W E E 41.10 18.64 22.06 40.34 119.37 -156.09 -107.47 129.71 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 72 F E E 16.88 20.10 22.00 41.81 130.74 -175.10 -128.78 145.32 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 73 W E E 52.03 14.80 25.72 40.57 117.30 -139.86 -102.76 130.72 1.40 98.60 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.70 0.02 74 L E E 5.31 25.17 18.39 44.18 116.36 -150.95 -101.34 127.00 6.87 93.11 0.02 5.61 0.90 0.06 0.00 0.01 0.00 93.27 0.16 75 H E E 57.23 10.44 23.20 34.10 125.58 -173.95 -119.83 142.89 18.07 81.87 0.06 16.00 1.78 0.17 0.02 0.04 0.00 80.45 1.53 76 K C T 99.81 11.97 16.26 28.25 109.91 -105.44 -70.38 129.20 66.53 32.94 0.53 6.60 26.38 35.95 0.05 0.48 0.00 29.40 1.15 77 G C S 48.25 3.73 18.37 22.51 102.68 16.75 87.42 -12.50 89.15 10.61 0.24 3.79 47.43 37.70 0.01 0.24 0.00 10.57 0.26 78 E C C 117.08 3.50 19.72 23.98 123.93 47.87 -111.55 144.73 83.48 16.42 0.10 55.62 27.40 0.77 0.01 0.11 0.00 15.15 0.94 79 S C C 42.47 16.51 13.51 29.34 115.98 -111.01 -74.49 141.68 73.11 26.84 0.06 71.32 1.26 0.15 0.01 0.04 0.00 26.68 0.54 80 Q E E 61.95 11.74 19.59 31.78 131.94 -171.66 -132.20 148.76 10.60 89.37 0.03 9.05 1.53 0.11 0.01 0.02 0.00 88.26 1.02 81 R E E 123.40 8.31 20.77 29.90 118.46 -129.95 -99.53 135.25 4.02 95.97 0.01 3.59 0.26 0.01 0.01 0.00 0.00 84.47 11.66 82 C C C 8.51 21.97 10.77 33.31 108.44 -119.09 -74.38 121.31 92.59 7.40 0.02 93.26 0.33 0.04 0.00 0.01 0.00 5.85 0.51 83 P C T 90.55 4.43 18.30 23.99 92.88 -150.62 -67.14 -25.45 99.65 0.08 0.27 0.31 3.83 95.50 0.01 0.27 0.00 0.06 0.02 84 N C T 105.23 3.90 17.10 21.76 98.70 45.21 -80.06 -36.85 99.62 0.05 0.33 0.08 2.46 97.16 0.00 0.27 0.00 0.02 0.01 85 C C T 47.99 10.01 14.59 25.73 103.24 21.21 -109.74 -14.08 99.62 0.09 0.28 0.27 3.72 95.69 0.01 0.24 0.00 0.05 0.02 86 G C C 34.25 6.63 17.86 26.00 96.13 -120.81 81.54 6.09 98.92 0.92 0.16 82.49 10.63 5.80 0.05 0.12 0.00 0.59 0.33 87 T C C 30.89 13.31 16.57 31.21 118.26 143.60 -74.93 145.69 89.20 10.79 0.02 86.43 2.99 0.07 0.00 0.01 0.00 9.76 0.74 88 H E E 55.54 13.74 21.53 35.55 123.31 -147.48 -109.13 140.45 1.53 98.47 0.00 1.44 0.09 0.00 0.00 0.00 0.00 97.32 1.15 89 Y E E 18.76 21.78 18.68 40.45 133.77 -175.03 -133.73 150.86 0.76 99.24 0.00 0.74 0.03 0.00 0.00 0.00 0.00 99.21 0.02 90 K E E 69.82 11.07 26.04 37.45 121.96 -133.20 -105.52 139.52 1.05 98.95 0.00 1.10 0.02 0.00 0.00 0.00 0.00 98.84 0.04 91 L E E 10.13 24.19 15.60 40.28 114.27 -122.74 -83.63 133.37 6.29 93.70 0.00 6.30 0.12 0.01 0.00 0.00 0.00 93.13 0.43 92 V E E 46.72 9.85 22.50 33.20 121.19 -163.64 -115.29 131.60 21.56 78.43 0.01 20.81 0.54 0.02 0.00 0.01 0.00 78.10 0.52 93 P E E 72.70 10.31 17.60 28.35 112.86 -111.18 -66.79 141.27 35.02 64.75 0.24 30.75 3.54 0.51 0.05 0.19 0.00 63.78 1.17 94 H C C 68.40 13.56 11.74 25.53 123.74 -165.10 -116.56 141.97 78.68 19.90 1.41 68.19 7.55 2.13 0.34 1.22 0.00 18.35 2.23 95 Q C C 138.62 1.97 14.82 17.55 111.85 -134.40 -87.31 124.29 81.75 15.25 3.00 62.77 13.27 5.15 0.65 2.76 0.00 11.92 3.47 96 M C C 100.52 7.97 8.54 17.67 114.69 -143.76 -92.42 132.04 87.71 8.55 3.75 63.49 15.88 7.66 0.77 3.38 0.00 6.28 2.54 97 A C C 81.72 2.90 9.58 14.09 109.30 -117.07 -78.59 129.24 94.27 4.08 1.65 87.33 2.17 5.05 0.37 1.07 0.00 2.96 1.05 98 H C C 134.18 4.19 10.11 16.09 110.55 -158.06 -95.38 108.09 99.84 0.13 0.02 99.62 0.18 0.09 0.01 0.00 0.00 0.07 0.02