# 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 Q C C 128.53 3.24 14.08 18.78 113.36 144.25 -100.99 120.68 99.73 0.25 0.02 99.29 0.46 0.08 0.01 0.00 0.00 0.11 0.06 1 G C C 40.09 6.16 10.78 18.45 126.34 -149.49 -114.54 170.05 98.47 1.39 0.15 92.43 5.53 0.58 0.05 0.07 0.00 0.66 0.69 2 P C C 91.12 4.30 11.28 17.18 112.93 -73.28 -69.85 149.80 96.05 1.50 2.45 74.67 11.71 9.28 0.47 2.25 0.00 0.87 0.74 3 P C C 101.95 3.83 10.53 16.14 108.97 -103.48 -75.75 137.05 86.77 3.13 10.10 45.77 16.24 24.25 1.42 9.24 0.00 1.56 1.52 4 G C C 48.07 4.66 11.33 17.47 114.93 30.83 2.68 -8.99 80.55 3.32 16.13 33.93 22.75 24.14 2.09 13.94 0.00 1.61 1.53 5 D C C 107.47 3.28 11.93 16.69 107.76 -76.89 -90.09 72.17 77.22 3.55 19.23 42.85 22.38 12.17 3.48 15.69 0.00 1.85 1.58 6 I C C 103.55 6.11 10.93 18.51 109.05 131.19 -91.82 104.96 81.19 5.17 13.64 57.45 17.86 6.14 5.04 8.50 0.00 3.05 1.95 7 V C C 93.05 6.17 12.83 20.40 108.85 140.66 -89.42 101.94 80.05 9.94 10.01 65.71 9.11 4.89 4.77 5.29 0.00 6.64 3.57 8 L C C 85.60 8.74 13.34 23.12 113.32 75.45 -95.78 123.56 75.37 17.10 7.54 57.71 12.00 4.86 3.87 3.95 0.01 11.33 6.27 9 A C C 64.68 7.24 16.78 24.79 110.57 -130.21 -84.76 128.38 70.30 20.83 8.87 49.63 12.91 7.54 3.47 5.56 0.03 14.26 6.60 10 C C C 47.38 13.75 15.22 28.89 107.46 58.56 -94.88 38.16 72.11 15.84 12.05 29.60 22.00 22.55 3.35 7.91 0.11 10.43 4.04 11 C C C 41.53 14.73 14.82 29.39 112.54 34.31 -97.77 102.26 70.52 18.46 11.02 26.72 23.92 22.23 2.74 7.44 0.11 12.95 3.89 12 F C C 114.94 8.07 17.40 26.02 103.45 133.29 -93.62 -11.83 63.06 27.58 9.36 34.76 20.14 9.86 2.68 6.16 0.09 23.21 3.10 13 A C E 55.48 6.88 19.19 26.77 126.93 57.70 -120.66 145.90 53.99 38.66 7.35 35.75 12.75 6.27 2.20 4.55 0.03 36.64 1.81 14 Y E E 102.45 14.26 13.72 27.82 125.70 -154.97 -122.32 139.19 38.64 59.04 2.31 32.29 4.14 1.42 1.36 1.17 0.01 52.63 6.98 15 I E E 65.39 9.84 14.92 26.26 122.23 -157.93 -115.84 135.54 42.22 57.24 0.54 38.81 1.67 0.36 0.34 0.24 0.00 46.81 11.77 16 A C C 75.55 6.32 15.21 23.04 100.70 -156.29 -89.95 -3.01 83.14 16.74 0.13 54.60 27.70 0.70 0.04 0.11 0.00 15.68 1.18 17 R C S 129.54 3.93 17.72 22.79 126.13 84.42 -114.70 146.31 89.83 10.13 0.04 25.64 64.77 0.38 0.01 0.03 0.00 8.57 0.62 18 P C C 87.49 6.48 18.62 26.21 114.88 -98.43 -67.18 145.31 90.77 9.20 0.03 90.24 1.66 0.07 0.01 0.01 0.00 6.55 1.46 19 L C C 11.91 24.11 10.00 33.83 114.47 -113.44 -77.99 134.21 95.47 4.52 0.01 95.96 0.68 0.02 0.00 0.00 0.00 2.16 1.18 20 P C C 61.44 4.69 21.62 26.50 112.03 -108.75 -65.64 141.66 94.08 5.88 0.04 95.47 0.31 0.02 0.01 0.01 0.00 2.89 1.29 21 R H G 132.70 11.08 12.96 24.66 92.06 -124.22 -60.29 -31.69 8.01 0.17 91.81 0.69 0.90 5.13 0.47 92.66 0.00 0.14 0.01 22 A H G 82.49 2.10 19.28 21.29 90.59 65.47 -67.81 -18.39 7.51 0.15 92.35 0.34 0.64 5.30 0.37 93.23 0.00 0.11 0.01 23 H H G 46.77 14.87 15.18 30.50 95.35 55.04 -92.24 -6.78 7.96 0.36 91.69 0.76 0.93 4.84 0.39 92.75 0.00 0.31 0.01 24 I E E 15.45 23.07 11.11 33.76 112.62 94.32 -87.87 121.46 3.70 96.23 0.07 3.52 0.25 0.03 0.03 0.03 0.00 95.38 0.75 25 K E E 108.77 4.84 20.84 26.58 100.60 176.19 -95.91 -33.63 4.64 95.33 0.03 3.02 1.27 0.11 0.00 0.02 0.00 95.54 0.04 26 E E E 84.84 5.04 24.11 29.82 141.93 -1.72 -157.80 155.97 1.91 98.07 0.02 1.26 0.35 0.05 0.00 0.01 0.00 98.31 0.01 27 Y E E 58.41 22.35 13.12 34.02 130.99 -160.70 -134.73 143.04 1.43 98.56 0.01 1.29 0.06 0.01 0.00 0.00 0.00 98.62 0.02 28 F E E 80.83 7.83 22.73 31.28 131.67 -176.29 -137.09 148.92 0.81 99.19 0.00 0.72 0.04 0.00 0.00 0.00 0.00 99.20 0.03 29 Y E E 114.47 11.76 17.31 29.22 116.54 -125.06 -88.97 135.50 5.95 94.03 0.01 5.58 0.24 0.02 0.00 0.00 0.00 93.96 0.19 30 T C C 41.18 13.53 12.76 26.85 120.55 -159.34 -109.85 145.68 64.43 35.46 0.10 59.92 2.54 0.22 0.02 0.07 0.00 36.60 0.63 31 S C C 76.07 4.30 13.94 19.82 117.38 -155.88 -100.57 140.76 88.56 10.68 0.76 70.81 13.64 3.70 0.12 0.86 0.00 9.35 1.53 32 G C T 59.76 2.09 14.02 16.76 99.60 15.19 -28.72 -14.88 94.74 2.75 2.51 8.55 34.98 51.06 0.12 2.83 0.00 1.84 0.62 33 K C T 142.74 3.09 13.85 17.96 99.63 58.52 -92.52 -6.31 95.18 2.40 2.42 15.19 28.09 51.45 0.15 2.90 0.00 1.56 0.66 34 C C C 29.94 15.65 7.39 22.29 124.07 71.35 -111.54 144.84 90.39 8.46 1.15 63.86 22.87 3.09 0.26 1.02 0.00 3.38 5.51 35 S C S 94.56 1.07 16.99 17.05 94.59 -140.71 -74.98 -19.98 98.43 1.36 0.21 12.88 81.76 4.03 0.03 0.15 0.00 0.75 0.40 36 N C S 82.47 5.69 16.60 23.56 127.04 36.51 -126.02 143.31 98.19 1.70 0.11 3.92 92.02 2.67 0.01 0.08 0.00 1.04 0.26 37 P C C 56.43 10.38 18.30 29.39 111.47 -102.44 -66.92 139.86 95.67 4.20 0.12 78.17 15.17 2.07 0.01 0.16 0.00 4.03 0.37 38 A E E 9.44 18.48 19.04 37.78 138.22 166.46 -142.17 163.34 28.72 71.23 0.04 24.56 3.10 0.27 0.00 0.04 0.00 71.52 0.51 39 V E E 8.26 20.29 22.61 43.33 121.59 -129.60 -111.53 134.78 0.97 99.03 0.00 0.94 0.04 0.00 0.00 0.00 0.00 98.99 0.02 40 V E E 12.09 17.84 24.74 42.99 118.87 -154.67 -109.31 128.33 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 41 F E E 8.82 21.80 20.85 42.88 124.78 -167.86 -116.16 138.52 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 42 V E E 23.97 11.70 22.36 35.92 117.04 -151.85 -109.75 126.69 0.05 99.95 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.01 43 T E E 14.71 15.54 14.09 30.83 124.70 -149.28 -89.31 169.99 30.12 69.79 0.09 29.08 0.53 0.14 0.01 0.06 0.00 69.72 0.45 44 R C T 142.10 6.97 14.77 22.99 92.41 -95.83 -63.53 -23.94 96.67 0.86 2.47 0.57 3.57 92.70 0.06 2.39 0.00 0.61 0.10 45 K C T 139.44 2.08 14.63 16.93 94.11 54.02 -88.79 6.08 97.08 0.13 2.79 0.49 3.12 93.46 0.08 2.74 0.00 0.07 0.03 46 N C S 117.07 3.65 14.01 19.18 94.26 -106.27 69.45 19.95 97.08 0.60 2.32 26.02 54.84 15.72 0.17 2.68 0.00 0.34 0.23 47 R C C 108.17 6.27 15.65 23.63 118.29 144.54 -87.12 141.56 90.22 9.73 0.05 89.27 0.94 0.16 0.01 0.02 0.00 9.21 0.38 48 Q E E 81.02 12.74 18.16 30.94 115.40 -128.26 -89.75 131.43 1.51 98.49 0.00 1.52 0.04 0.00 0.00 0.00 0.00 98.28 0.15 49 V E E 16.66 18.27 20.87 39.20 130.88 -175.27 -130.82 146.92 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 50 C E E 16.13 19.55 22.76 41.83 121.78 -140.43 -104.01 138.62 1.09 98.91 0.00 0.92 0.06 0.00 0.00 0.00 0.00 98.99 0.03 51 A E E 9.11 20.85 19.74 40.28 123.68 -137.75 -89.38 152.91 23.06 76.92 0.02 20.94 2.03 0.06 0.01 0.02 0.00 75.22 1.73 52 N C C 52.00 10.05 23.24 33.91 106.55 -109.47 -82.15 116.33 99.11 0.88 0.01 98.13 1.13 0.04 0.00 0.00 0.00 0.63 0.07 53 P C T 37.45 17.68 13.24 31.17 92.57 -155.18 -67.34 -13.62 99.24 0.07 0.69 2.61 3.39 93.29 0.03 0.62 0.00 0.03 0.02 54 E C T 143.36 2.00 19.33 21.27 92.65 65.66 -83.85 -8.40 99.32 0.05 0.63 2.21 4.07 93.03 0.04 0.61 0.00 0.02 0.01 55 K C S 73.02 10.50 11.19 23.17 114.64 101.18 -75.73 135.21 99.09 0.44 0.47 33.96 64.77 0.35 0.29 0.10 0.00 0.08 0.45 56 K H H 145.83 1.92 17.69 19.94 92.30 -130.28 -59.96 -38.08 7.70 0.01 92.29 0.41 1.44 5.67 91.95 0.50 0.01 0.00 0.01 57 W H H 84.35 9.61 16.99 27.88 92.04 54.44 -64.46 -38.47 3.84 0.00 96.16 0.21 0.31 3.40 95.54 0.53 0.01 0.00 0.00 58 V H H 7.00 22.00 13.48 35.55 91.98 50.02 -65.21 -42.53 0.65 0.00 99.35 0.08 0.05 0.45 99.09 0.33 0.00 0.00 0.00 59 R H H 115.63 6.81 19.44 27.08 91.40 52.07 -62.87 -41.62 0.17 0.00 99.83 0.04 0.01 0.09 99.75 0.10 0.00 0.00 0.00 60 E H H 105.35 2.41 22.27 23.48 91.72 49.47 -64.65 -41.87 0.21 0.00 99.79 0.03 0.01 0.14 99.75 0.07 0.00 0.00 0.00 61 Y H H 41.71 13.98 18.26 32.83 92.45 48.42 -65.04 -42.89 0.32 0.00 99.68 0.05 0.02 0.22 99.65 0.07 0.00 0.00 0.00 62 I H H 23.35 16.92 16.07 33.30 92.06 49.64 -64.00 -42.49 0.39 0.00 99.61 0.06 0.02 0.24 99.60 0.08 0.00 0.00 0.00 63 N H H 84.10 3.00 19.25 22.18 91.58 50.97 -63.94 -40.01 1.16 0.00 98.84 0.17 0.07 0.77 98.74 0.26 0.00 0.00 0.00 64 S H H 55.83 3.72 17.10 21.55 92.36 51.30 -66.09 -38.44 3.37 0.01 96.62 0.39 0.21 2.50 96.28 0.62 0.00 0.00 0.00 65 L H H 45.57 12.82 12.22 25.72 93.63 51.79 -67.89 -36.99 7.17 0.03 92.80 1.14 0.66 5.00 92.00 1.16 0.00 0.01 0.01 66 E H H 112.45 5.40 13.09 19.90 94.59 54.88 -70.53 -29.89 22.24 0.20 77.56 4.30 2.26 15.12 76.91 1.20 0.02 0.07 0.11 67 M C H 133.91 1.86 10.99 13.72 98.58 59.18 -79.89 -11.93 51.43 0.41 48.16 23.80 1.92 23.73 48.96 1.21 0.00 0.14 0.25 68 S C C 78.30 3.69 11.39 16.69 103.56 74.31 -82.77 26.72 99.88 0.04 0.09 99.51 0.16 0.24 0.06 0.01 0.00 0.02 0.01