# 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 116.88 5.80 12.04 19.43 115.31 -165.91 -97.67 133.63 99.82 0.15 0.02 99.73 0.11 0.05 0.01 0.00 0.00 0.07 0.02 1 G C C 49.25 3.99 10.30 16.10 118.32 -144.45 -92.01 159.99 89.92 4.42 5.66 85.67 1.36 3.67 3.44 1.44 0.00 2.58 1.84 2 R C C 167.26 2.82 9.79 14.40 111.37 -121.06 -90.16 124.17 76.30 8.47 15.24 54.04 12.96 8.86 8.31 7.32 0.02 5.27 3.23 3 S C C 68.77 4.82 9.87 16.38 115.89 -142.81 -92.71 143.31 67.01 9.45 23.54 50.18 8.88 7.73 9.59 14.25 0.01 6.42 2.94 4 L C C 107.80 6.22 10.52 18.11 102.00 -131.50 -80.71 -6.22 56.96 8.26 34.78 28.59 14.02 16.45 10.50 22.71 0.09 5.34 2.31 5 K C C 137.30 3.91 12.19 17.76 107.84 79.53 -88.07 81.85 60.34 9.06 30.61 29.12 14.30 18.96 9.63 19.48 0.13 5.64 2.74 6 K C C 137.45 4.05 12.77 18.53 110.71 113.31 -92.18 117.73 73.33 7.60 19.07 37.21 23.58 13.55 7.89 10.28 0.07 3.92 3.48 7 G C C 31.54 8.28 12.62 22.11 131.23 -116.21 154.99 175.33 94.06 4.25 1.69 54.19 33.56 6.47 0.37 1.39 0.00 2.39 1.63 8 P C C 86.00 6.00 15.66 22.57 104.63 -47.06 -70.39 93.08 93.99 4.14 1.87 38.24 34.14 21.97 0.27 1.74 0.00 2.74 0.91 9 F C C 97.27 10.66 15.20 26.27 112.92 56.38 -95.42 120.21 72.22 25.32 2.45 44.47 15.58 12.75 0.82 1.91 0.02 16.90 7.54 10 V C C 49.71 14.96 13.50 28.53 118.74 123.96 -105.34 131.74 76.46 22.75 0.79 68.01 6.85 0.68 0.51 0.34 0.00 13.78 9.84 11 D C C 55.26 10.14 15.17 26.52 110.65 -129.50 -82.43 120.66 97.14 2.05 0.81 95.56 1.73 0.34 0.58 0.11 0.00 1.15 0.53 12 D H H 100.13 3.94 15.85 21.36 93.48 -152.85 -65.21 -31.17 8.89 0.03 91.08 2.00 1.13 5.55 89.91 1.38 0.01 0.01 0.01 13 H H H 106.73 3.24 18.15 21.56 91.99 56.33 -64.96 -39.60 4.30 0.02 95.69 0.66 0.36 3.08 94.51 1.36 0.00 0.01 0.01 14 L H H 19.18 16.23 14.50 31.48 92.27 50.38 -65.18 -41.85 1.04 0.01 98.95 0.27 0.10 0.60 97.92 1.10 0.00 0.01 0.00 15 M H H 49.89 12.67 16.43 29.85 91.67 51.52 -63.38 -41.90 0.43 0.00 99.56 0.11 0.04 0.23 99.36 0.27 0.00 0.00 0.00 16 K H H 122.11 1.76 22.18 22.19 91.38 50.42 -63.83 -41.78 0.39 0.01 99.60 0.08 0.03 0.23 99.55 0.11 0.00 0.00 0.00 17 K H H 91.72 6.68 20.25 27.45 91.90 49.57 -65.05 -41.37 0.40 0.01 99.59 0.08 0.03 0.24 99.57 0.08 0.00 0.00 0.00 18 V H H 14.92 18.47 15.02 33.87 92.01 49.92 -64.24 -42.71 0.33 0.01 99.67 0.06 0.03 0.19 99.64 0.07 0.00 0.00 0.00 19 E H H 94.74 4.80 20.46 25.73 91.61 50.57 -63.35 -41.42 0.48 0.00 99.52 0.08 0.03 0.29 99.50 0.10 0.00 0.00 0.00 20 A H H 54.78 2.31 19.71 21.22 91.67 50.09 -64.28 -41.31 1.40 0.01 98.59 0.17 0.08 1.00 98.50 0.25 0.00 0.00 0.00 21 A H H 21.10 11.03 13.19 26.14 92.16 51.08 -65.56 -38.86 4.37 0.03 95.60 0.54 0.33 3.20 95.37 0.52 0.01 0.01 0.01 22 A H H 52.51 8.94 13.19 23.14 92.86 53.77 -67.01 -33.26 17.36 0.12 82.52 2.00 1.40 13.28 82.31 0.87 0.03 0.05 0.06 23 E H H 150.55 0.96 15.06 14.91 93.58 52.26 -74.74 -21.20 42.92 0.38 56.70 6.70 5.57 29.91 56.02 1.41 0.05 0.13 0.21 24 S C T 64.44 3.87 10.60 16.05 112.00 69.57 -94.39 134.59 73.27 0.84 25.88 20.75 19.78 32.23 23.80 2.60 0.02 0.29 0.53 25 E C T 161.43 1.38 12.17 14.40 96.27 -123.64 -20.29 16.51 89.61 0.63 9.75 28.14 23.48 38.43 5.32 3.98 0.00 0.29 0.36 26 K C C 124.94 3.69 12.04 17.28 114.38 114.10 -95.76 130.24 92.34 1.15 6.51 46.97 25.88 19.65 1.91 4.48 0.00 0.57 0.55 27 K C C 121.02 7.67 12.34 21.39 111.90 -141.43 -87.93 122.66 92.52 3.04 4.44 69.69 14.62 8.07 0.96 3.72 0.00 2.30 0.63 28 Q C C 88.79 7.76 17.14 25.88 122.22 -136.58 -108.40 142.10 80.52 17.28 2.19 62.65 14.13 3.06 0.52 1.63 0.00 16.75 1.27 29 V E E 57.38 13.07 16.72 30.22 116.89 -130.55 -95.83 131.41 49.56 50.10 0.33 45.14 3.44 0.39 0.10 0.20 0.00 49.55 1.18 30 I E E 28.36 18.73 15.92 34.97 117.82 -154.95 -103.92 131.02 17.98 81.92 0.10 17.05 0.86 0.09 0.05 0.04 0.00 80.79 1.12 31 K E E 104.73 8.43 22.91 31.91 116.93 -146.23 -96.70 131.02 12.68 87.25 0.07 12.05 0.59 0.07 0.03 0.03 0.00 86.34 0.89 32 T E E 24.02 20.50 14.49 34.49 125.92 -169.49 -120.29 143.52 32.95 66.87 0.17 30.88 1.48 0.21 0.06 0.10 0.00 65.81 1.46 33 W C C 123.56 8.27 21.33 30.05 104.45 -162.43 -101.73 -5.19 67.78 31.76 0.45 41.56 24.87 2.07 0.10 0.39 0.00 29.50 1.51 34 S C C 31.09 13.45 16.86 30.83 124.02 64.02 -117.97 141.95 83.57 15.11 1.32 58.85 20.11 4.56 0.25 1.28 0.00 13.14 1.81 35 R C T 122.58 10.93 17.45 28.53 101.68 -164.66 -87.03 -11.62 85.21 7.48 7.31 17.97 33.82 34.15 0.65 6.61 0.01 5.58 1.21 36 R C S 145.89 4.60 21.20 26.31 100.78 54.87 -93.86 21.18 84.81 7.38 7.82 16.99 34.88 33.63 0.57 7.20 0.01 5.63 1.09 37 S C C 21.53 18.37 14.34 32.47 124.37 108.08 -101.54 152.68 75.88 16.39 7.73 54.74 16.17 4.79 0.73 7.27 0.00 15.15 1.16 38 T E E 58.89 9.12 24.14 33.76 121.00 -138.23 -109.04 136.28 31.54 67.90 0.57 26.71 3.75 0.60 0.26 0.40 0.00 61.42 6.85 39 I E E 22.33 22.32 16.02 38.43 117.50 -148.70 -103.06 127.66 22.41 77.54 0.06 21.02 0.99 0.04 0.04 0.03 0.00 58.23 19.64 40 F C C 55.56 11.46 19.69 32.12 113.25 -133.12 -80.77 131.05 98.55 1.44 0.01 98.56 0.35 0.02 0.00 0.00 0.00 0.99 0.08 41 P H G 67.83 10.42 16.79 28.22 91.48 -126.95 -59.02 -29.84 11.71 0.13 88.16 0.96 0.93 7.97 0.90 89.13 0.00 0.11 0.01 42 T H G 85.93 5.03 20.79 26.82 89.47 65.40 -67.58 -16.43 10.35 0.07 89.58 0.26 0.53 8.48 0.68 89.99 0.00 0.05 0.00 43 F H G 13.01 22.07 14.24 36.95 94.09 57.59 -93.95 -7.76 10.35 0.10 89.55 0.85 0.88 6.70 0.74 90.76 0.00 0.07 0.01 44 V C T 51.28 15.03 15.64 31.19 112.75 115.66 -61.71 132.23 97.87 0.83 1.30 0.46 1.17 96.95 0.16 0.54 0.00 0.27 0.45 45 G C T 44.49 4.09 21.92 26.81 94.24 22.43 86.03 -4.61 99.61 0.16 0.22 0.22 1.52 98.01 0.01 0.13 0.00 0.11 0.01 46 Q C C 43.16 15.54 16.85 32.72 123.41 123.53 -87.10 152.48 95.97 4.00 0.03 87.27 8.40 0.15 0.00 0.03 0.00 3.99 0.15 47 T E E 43.68 11.13 24.28 36.07 119.01 -128.94 -105.20 131.93 1.75 98.25 0.00 1.77 0.05 0.00 0.00 0.00 0.00 97.95 0.23 48 I E E 4.39 25.07 18.30 44.05 125.66 -170.31 -122.01 140.01 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 A E E 15.84 13.42 25.63 40.00 118.12 -142.92 -101.67 132.57 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 50 V E E 6.90 22.17 19.49 42.06 122.20 -165.41 -117.01 132.20 0.36 99.63 0.00 0.32 0.02 0.00 0.00 0.00 0.00 99.65 0.01 51 Y E E 45.92 13.03 19.12 33.36 116.00 -153.08 -104.98 124.42 6.33 93.62 0.05 5.07 0.80 0.14 0.01 0.03 0.00 93.78 0.18 52 D E E 56.38 9.60 17.23 28.20 102.55 177.90 -110.57 32.39 40.62 58.39 0.99 22.21 11.12 8.18 0.10 1.03 0.00 56.67 0.71 53 G C T 42.23 6.85 15.08 22.71 98.75 -83.56 76.99 -10.55 98.54 0.46 1.00 1.90 29.43 67.09 0.03 1.15 0.00 0.30 0.10 54 R C T 176.26 1.51 15.46 16.94 103.80 40.63 -99.91 -22.12 98.59 0.66 0.75 2.08 36.28 60.26 0.03 0.80 0.00 0.44 0.11 55 K E E 134.60 1.95 17.16 19.20 126.10 35.79 -124.91 146.35 27.76 72.15 0.10 18.99 8.58 0.71 0.02 0.09 0.00 70.94 0.67 56 H E E 87.58 14.85 11.34 25.73 118.92 -129.14 -95.23 133.58 8.02 91.97 0.01 7.35 0.34 0.02 0.00 0.00 0.00 92.08 0.21 57 V E E 49.69 9.33 18.39 29.31 120.74 -168.86 -122.45 126.38 2.05 97.95 0.00 1.83 0.06 0.00 0.00 0.00 0.00 98.08 0.02 58 P E E 72.76 8.82 19.86 29.27 114.85 -121.07 -69.34 140.44 1.47 98.53 0.00 1.37 0.02 0.00 0.00 0.00 0.00 98.60 0.01 59 V E E 16.41 20.58 15.39 35.92 127.82 -173.50 -128.29 141.41 0.58 99.42 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.42 0.01 60 Y E E 105.84 7.45 25.12 33.02 117.31 -136.86 -100.70 131.00 0.92 99.08 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.05 0.05 61 V E E 7.49 24.68 12.64 37.83 116.52 -148.50 -98.32 127.88 18.44 81.55 0.01 18.70 0.19 0.01 0.01 0.01 0.00 80.62 0.48 62 Q C C 71.94 5.35 23.23 28.43 131.99 -168.48 -120.92 166.33 92.13 7.75 0.11 90.97 1.60 0.09 0.03 0.06 0.00 6.85 0.39 63 E H G 115.43 9.26 14.79 25.04 91.20 -102.18 -59.58 -33.00 11.95 0.11 87.94 0.66 1.13 9.43 3.54 85.14 0.00 0.08 0.01 64 D H G 116.65 1.44 19.57 20.36 89.83 60.54 -70.32 -16.31 11.39 0.08 88.53 0.45 0.79 9.51 3.48 85.70 0.00 0.06 0.01 65 M H G 29.65 17.72 13.45 31.46 95.38 54.71 -96.53 -4.82 11.81 0.26 87.93 1.78 1.56 7.85 4.00 84.58 0.00 0.18 0.04 66 V C T 44.73 16.83 13.74 30.69 112.68 114.03 -63.73 134.18 86.76 4.36 8.89 5.64 5.92 75.45 4.78 3.76 0.05 2.36 2.03 67 G C T 40.04 6.71 20.61 28.32 95.02 22.76 83.82 -4.70 91.84 0.95 7.22 4.87 7.52 79.49 3.61 3.51 0.01 0.60 0.38 68 H C C 73.66 11.57 17.72 29.61 117.73 123.50 -86.50 149.94 75.24 3.78 20.98 52.22 13.27 9.65 11.54 9.03 0.01 1.70 2.56 69 K C T 96.65 9.84 21.99 31.34 107.68 -102.31 -72.67 7.89 46.19 12.29 41.52 14.06 11.60 21.20 20.70 17.79 1.96 5.41 7.27 70 L H G 39.59 19.52 16.30 34.71 106.42 -97.32 -71.10 121.68 44.24 4.80 50.96 6.76 8.94 27.00 21.54 29.23 1.10 2.73 2.70 71 G H G 27.31 12.90 18.51 30.84 97.39 32.39 71.72 -13.45 41.97 2.81 55.22 10.13 8.66 23.76 17.92 36.42 0.18 1.50 1.41 72 E C T 100.62 7.46 19.58 27.59 94.17 80.75 -75.86 -21.69 53.53 3.17 43.30 11.22 11.26 30.71 14.07 29.14 0.17 1.85 1.59 73 F C T 89.68 11.68 16.38 28.12 100.25 43.78 -99.23 -5.00 62.87 6.47 30.66 16.13 17.62 30.46 10.89 17.75 0.38 3.30 3.46 74 A C S 33.75 13.61 13.35 27.49 121.90 84.11 -102.48 142.83 91.21 5.41 3.38 38.87 49.07 3.72 1.77 1.43 0.01 2.67 2.47 75 P C C 76.72 6.64 16.09 23.81 109.38 -106.80 -67.03 145.26 88.11 4.78 7.11 64.53 13.78 9.54 2.65 4.60 0.00 2.91 2.00 76 T C C 73.41 9.99 12.37 22.97 112.61 -141.13 -94.75 133.62 81.41 9.14 9.45 56.49 14.73 9.51 3.59 6.08 0.01 5.17 4.42 77 R C C 147.25 5.34 13.51 20.31 107.06 -163.38 -95.14 51.14 78.07 11.45 10.48 47.49 21.71 9.19 4.62 5.75 0.02 7.10 4.13 78 T C C 84.87 5.06 13.05 19.64 115.39 93.69 -101.43 128.33 77.36 12.98 9.66 51.91 17.30 8.05 4.51 5.22 0.02 9.03 3.96 79 Y C C 123.34 8.59 9.98 19.62 114.06 -158.25 -94.11 126.84 76.41 13.65 9.94 53.87 14.32 7.37 5.70 4.49 0.02 8.58 5.66 80 R C C 163.37 2.91 12.51 16.95 110.00 -158.45 -91.97 115.41 78.52 7.67 13.80 33.87 17.61 28.23 6.65 6.31 0.04 4.83 2.46 81 G C T 47.65 4.12 13.13 18.52 111.08 3.62 93.15 -88.63 81.08 4.52 14.40 29.03 21.93 31.27 6.23 7.26 0.03 2.54 1.71 82 H C C 104.79 7.43 11.04 19.63 110.59 5.96 -93.46 116.49 74.27 6.25 19.47 43.19 17.04 14.27 10.08 9.05 0.03 3.11 3.22 83 A C C 64.86 5.78 12.26 19.21 105.20 54.95 -79.08 33.12 70.68 3.20 26.12 31.12 16.32 23.89 13.62 11.79 0.04 1.59 1.63 84 G C C 44.13 4.91 12.87 18.89 103.17 47.40 -63.23 -34.42 68.90 1.96 29.13 27.70 18.86 23.33 14.60 13.43 0.04 0.88 1.16 85 D C C 91.36 4.78 11.75 17.89 102.14 58.97 -84.25 7.94 61.25 2.05 36.70 33.31 14.37 14.04 21.48 14.74 0.03 0.95 1.08 86 D C C 87.47 5.50 10.81 17.78 103.60 99.00 -83.75 26.94 60.62 2.34 37.04 35.81 11.60 13.58 24.01 12.68 0.02 1.17 1.13 87 K C C 126.94 4.51 10.48 16.57 104.16 108.30 -82.76 27.16 58.77 2.98 38.26 35.28 11.58 12.58 26.45 11.19 0.03 1.54 1.35 88 K C C 139.14 3.04 10.15 14.81 104.50 99.74 -83.61 27.11 64.00 3.35 32.66 37.68 13.72 13.02 23.42 8.91 0.03 1.76 1.47 89 T C C 91.34 3.93 8.41 14.06 108.90 109.63 -91.17 101.89 72.21 4.23 23.56 44.36 13.67 14.13 16.27 7.36 0.02 2.35 1.84 90 K C C 149.06 2.40 8.43 12.63 109.52 -138.93 -89.35 110.27 85.45 3.25 11.30 73.35 3.33 9.33 7.54 2.94 0.00 1.78 1.74 91 R C C 169.06 2.62 10.47 14.84 111.25 -144.47 -86.31 126.18 99.83 0.13 0.05 99.64 0.16 0.10 0.02 0.00 0.00 0.06 0.02