# 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 58.76 14.11 14.78 29.05 122.76 -163.21 -107.33 136.82 98.39 1.60 0.01 97.87 0.49 0.07 0.00 0.00 0.00 1.50 0.07 1 Q E B 89.83 6.46 14.22 22.26 125.86 -163.69 -118.81 145.60 8.18 91.73 0.09 6.91 0.28 0.02 0.10 0.01 0.00 17.33 75.35 2 N C C 54.56 8.23 9.93 19.86 123.24 -129.95 -83.84 175.75 91.61 8.28 0.11 92.16 0.66 0.14 0.03 0.05 0.00 5.25 1.72 3 D C T 128.15 1.39 10.78 13.23 91.89 -89.22 -65.84 -19.84 98.73 0.67 0.60 0.85 4.48 93.46 0.02 0.57 0.00 0.54 0.08 4 E C T 147.65 1.07 11.15 12.09 94.07 54.03 -88.85 0.84 99.24 0.15 0.61 0.30 3.71 95.33 0.02 0.53 0.00 0.08 0.03 5 G C S 45.91 4.27 10.60 16.66 97.74 -103.12 85.63 6.16 98.85 0.76 0.39 10.38 86.97 1.74 0.03 0.25 0.00 0.39 0.24 6 Q C C 99.96 3.84 12.15 17.82 117.55 135.63 -87.96 140.20 95.29 4.50 0.21 82.88 11.60 0.82 0.08 0.14 0.00 2.35 2.14 7 N E B 87.82 7.62 12.06 21.27 114.71 -125.99 -88.32 127.54 17.38 82.10 0.52 12.28 1.88 0.24 0.43 0.13 0.00 17.54 67.50 8 M C C 73.54 10.46 12.76 24.32 112.28 -170.55 -104.30 114.89 80.16 19.32 0.52 72.15 5.80 1.20 0.13 0.43 0.00 18.05 2.23 9 D C C 90.61 6.37 17.06 24.35 110.70 -140.70 -85.93 109.53 82.64 16.71 0.65 65.81 13.94 2.49 0.15 0.59 0.00 14.47 2.55 10 L C C 68.16 12.97 13.53 26.69 113.45 -156.91 -96.09 123.49 76.45 22.71 0.83 51.87 21.38 3.68 0.22 0.75 0.00 18.43 3.67 11 Y C C 110.67 9.35 17.01 27.06 119.87 -165.06 -107.14 131.58 61.14 38.38 0.47 46.33 12.85 1.47 0.20 0.39 0.00 28.25 10.51 12 I C C 57.16 13.13 15.21 28.98 117.55 -160.36 -112.45 122.21 68.26 31.60 0.14 57.88 9.95 0.33 0.05 0.11 0.00 27.85 3.82 13 P C C 56.07 8.95 16.51 26.77 110.94 -115.48 -66.40 140.74 74.18 24.17 1.65 67.70 4.06 1.52 0.59 1.06 0.00 21.10 3.98 14 R C C 128.73 8.97 13.84 23.64 98.17 -133.83 -70.40 -25.17 62.47 9.39 28.14 31.59 18.41 14.29 5.84 21.22 0.05 5.97 2.61 15 K C G 138.20 3.03 16.42 20.30 95.79 68.88 -72.75 -19.09 55.37 13.71 30.92 21.72 18.69 18.39 6.51 22.00 0.25 8.82 3.62 16 C C C 56.77 9.89 12.78 23.58 100.74 55.38 -90.91 -0.18 52.61 17.69 29.71 29.44 12.73 12.46 7.09 21.37 0.20 11.10 5.61 17 S C C 37.94 12.24 10.79 23.49 110.89 97.38 -90.02 132.78 68.55 18.47 12.98 46.37 12.08 9.36 5.74 7.19 0.07 9.55 9.65 18 A C T 80.58 3.74 13.88 18.70 95.99 -131.27 -72.95 -16.32 86.00 3.39 10.61 12.21 25.06 49.58 3.27 6.41 0.02 2.07 1.38 19 T C T 89.05 3.65 13.62 18.24 100.48 51.92 -93.08 -2.12 88.74 3.16 8.09 12.16 29.44 48.05 2.10 5.09 0.01 1.86 1.29 20 N C C 93.92 7.68 12.13 21.00 101.23 -116.98 23.27 48.15 90.85 6.00 3.15 47.83 32.24 11.04 0.66 2.55 0.00 3.41 2.26 21 R C C 136.93 5.38 14.25 21.25 114.13 145.82 -96.30 125.23 83.87 14.84 1.29 63.27 16.54 3.65 0.40 1.03 0.00 11.61 3.51 22 L C C 97.10 7.92 14.92 23.62 110.06 -125.68 -87.50 117.38 61.22 37.96 0.82 50.02 8.17 1.51 0.34 0.59 0.00 30.34 9.03 23 I E C 48.65 14.98 11.05 26.13 119.43 78.69 -103.30 133.71 46.74 52.68 0.58 39.94 4.05 0.48 0.39 0.29 0.00 39.34 15.50 24 T C C 67.34 4.52 17.40 22.50 123.21 -146.53 -94.54 161.00 73.00 25.82 1.18 65.11 5.30 1.33 0.62 0.63 0.00 22.44 4.57 25 S C T 71.13 7.54 11.32 20.18 93.94 -104.60 -61.96 -28.28 73.61 3.31 23.08 14.58 18.50 41.57 7.55 14.29 0.10 1.98 1.43 26 K C T 161.97 1.13 15.41 15.98 94.98 57.20 -75.71 -15.40 75.26 1.96 22.78 11.33 18.35 46.35 7.26 14.44 0.07 1.04 1.16 27 D C C 68.08 8.82 12.78 22.68 102.43 68.63 -93.18 11.31 68.94 5.03 26.03 25.93 21.74 23.42 6.76 17.17 0.06 2.44 2.49 28 H C C 93.45 11.35 14.40 25.70 100.30 -140.21 -73.84 21.31 66.00 7.04 26.96 30.85 14.15 22.85 5.82 19.74 0.04 4.19 2.35 29 A C C 49.35 9.58 16.59 26.90 101.47 98.21 -78.86 -5.71 67.32 9.19 23.49 25.97 20.19 23.29 3.54 18.66 0.05 6.61 1.70 30 S C C 45.70 10.95 17.91 29.22 111.12 67.78 -99.82 128.02 53.97 29.36 16.66 33.12 11.52 11.32 2.23 13.37 0.02 27.04 1.37 31 V E E 36.38 15.80 16.11 32.24 121.81 127.11 -112.37 133.80 20.03 79.46 0.51 17.45 2.34 0.39 0.18 0.29 0.00 78.50 0.85 32 Q E E 88.89 9.20 20.46 30.28 118.42 -149.62 -103.22 130.48 4.11 95.84 0.05 3.91 0.20 0.03 0.05 0.02 0.00 94.61 1.18 33 L E E 41.20 17.42 15.80 33.06 124.13 -169.66 -117.36 135.26 11.12 88.83 0.05 10.39 0.53 0.05 0.02 0.03 0.00 88.55 0.44 34 N E E 76.15 7.94 21.14 29.72 113.82 -135.80 -93.78 123.00 17.49 82.44 0.07 15.21 1.71 0.18 0.01 0.06 0.00 82.32 0.52 35 V E E 34.82 17.44 14.90 32.19 105.60 -172.76 -101.30 27.79 21.02 78.29 0.68 18.09 2.24 0.69 0.15 0.55 0.00 76.48 1.80 36 G E E 24.63 9.68 18.26 28.67 113.38 102.97 -77.40 -151.91 30.25 69.21 0.54 15.15 13.81 2.75 0.05 0.58 0.00 67.14 0.52 37 H E E 111.25 4.90 19.27 24.53 118.19 0.39 -107.91 125.32 12.17 87.49 0.34 7.30 4.00 1.18 0.04 0.39 0.00 86.54 0.55 38 L E E 54.95 14.15 9.30 23.48 123.94 -166.72 -113.59 144.40 4.62 95.34 0.04 4.08 0.40 0.02 0.03 0.01 0.00 70.79 24.66 39 D C C 66.35 3.55 13.23 18.13 124.20 -127.63 -82.73 175.83 97.05 2.93 0.02 97.45 0.25 0.04 0.00 0.01 0.00 1.97 0.28 40 E C T 171.50 0.77 10.45 11.56 90.43 -88.23 -63.16 -20.39 99.50 0.25 0.25 0.28 2.68 96.59 0.01 0.24 0.00 0.17 0.03 41 S C T 91.55 0.74 12.24 12.01 92.56 55.78 -88.28 0.81 99.70 0.06 0.24 0.18 2.69 96.85 0.00 0.23 0.00 0.03 0.01 42 G C S 33.12 8.87 10.23 20.49 95.55 -106.10 84.96 7.94 99.13 0.56 0.32 16.97 81.02 1.29 0.03 0.24 0.00 0.29 0.16 43 V C C 76.81 3.70 15.60 20.56 117.20 139.73 -87.44 138.29 77.29 22.66 0.06 74.94 3.56 0.11 0.02 0.03 0.00 9.68 11.65 44 Y E E 78.87 14.78 9.88 24.70 111.47 -115.93 -76.44 129.73 4.22 95.75 0.02 3.90 0.20 0.01 0.03 0.00 0.00 63.83 32.01 45 T E E 79.96 4.24 16.69 21.78 102.61 -175.70 -101.48 -0.29 45.42 54.45 0.13 37.82 5.77 0.86 0.02 0.13 0.00 54.64 0.75 46 G C E 43.48 5.83 14.52 21.42 100.39 -99.97 85.67 1.65 57.91 41.84 0.26 16.45 36.70 3.97 0.02 0.26 0.00 42.06 0.54 47 Q C E 107.74 4.71 16.71 22.52 116.72 112.08 -97.06 133.53 55.08 44.62 0.30 27.77 24.30 2.63 0.02 0.31 0.00 44.50 0.48 48 F E E 84.17 14.70 13.22 27.58 125.60 -159.21 -118.49 140.93 22.57 77.34 0.08 18.37 3.52 0.29 0.01 0.06 0.00 77.38 0.36 49 T E E 48.01 11.06 18.91 30.80 127.35 -172.00 -128.22 141.08 2.62 97.37 0.00 2.46 0.09 0.01 0.00 0.00 0.00 97.35 0.09 50 T E E 50.35 15.01 18.23 33.04 124.33 -154.16 -115.21 137.65 0.71 99.29 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.02 51 Y E E 43.45 15.93 20.47 36.60 128.13 -173.45 -129.97 140.63 0.92 99.08 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.08 0.03 52 A E E 26.97 15.37 23.14 38.38 117.43 -140.36 -100.06 131.71 4.09 95.88 0.03 3.73 0.19 0.02 0.01 0.01 0.00 95.95 0.09 53 L E E 15.57 20.46 20.34 40.47 120.04 -165.27 -114.60 129.12 18.34 81.20 0.45 17.67 0.66 0.14 0.32 0.17 0.00 79.67 1.37 54 C C C 26.80 14.72 20.62 35.31 121.31 -152.27 -96.34 158.98 65.48 25.13 9.39 53.45 8.35 2.58 8.05 1.93 0.01 23.65 1.99 55 G H H 29.87 9.30 20.73 30.34 94.34 -60.85 -54.03 -41.67 24.72 1.06 74.22 5.11 7.12 14.12 63.80 8.39 0.38 0.67 0.40 56 F H H 95.86 6.21 21.24 27.92 92.11 53.03 -65.46 -38.72 12.59 0.43 86.99 3.32 2.35 7.52 76.70 9.57 0.11 0.31 0.13 57 I H H 19.18 17.64 14.66 32.57 92.51 51.73 -66.08 -41.00 8.63 0.42 90.94 2.84 1.67 4.56 78.65 11.80 0.06 0.31 0.11 58 R H H 96.17 11.70 15.33 27.28 92.09 53.41 -64.61 -38.49 12.05 0.54 87.41 4.22 2.07 6.26 76.06 10.76 0.09 0.37 0.17 59 A H H 79.15 2.43 16.53 19.40 91.75 55.04 -69.21 -26.24 26.67 0.53 72.81 4.19 3.72 19.25 63.84 8.23 0.21 0.29 0.26 60 Q C T 108.15 4.41 14.37 19.78 97.58 52.86 -87.76 -5.51 58.05 0.62 41.33 5.53 10.36 41.74 37.15 4.38 0.14 0.25 0.45 61 G C T 48.72 3.87 15.78 20.62 99.70 -111.84 78.63 -2.92 87.19 0.79 12.02 10.25 28.34 48.90 8.80 2.86 0.01 0.34 0.50 62 D C C 82.30 5.92 17.65 24.35 100.15 99.70 -91.62 18.74 78.83 0.92 20.25 51.14 9.66 17.29 17.80 3.17 0.00 0.40 0.53 63 A H H 18.43 18.24 12.39 30.38 93.84 107.53 -65.13 -38.62 25.36 0.30 74.34 16.35 3.77 6.62 69.87 3.12 0.01 0.13 0.13 64 D H H 84.13 6.00 19.92 26.59 92.46 54.61 -64.23 -40.05 9.69 0.09 90.22 3.96 1.49 4.48 87.27 2.72 0.01 0.04 0.03 65 S H H 60.79 2.37 22.39 23.34 91.96 50.51 -65.54 -40.33 4.58 0.05 95.38 1.62 0.60 2.35 92.97 2.41 0.01 0.03 0.01 66 A H H 19.78 12.13 17.42 30.94 91.89 51.54 -64.67 -42.50 2.38 0.03 97.59 0.79 0.29 1.25 96.34 1.32 0.00 0.02 0.01 67 M H H 39.00 15.83 17.32 33.24 91.81 50.79 -63.22 -42.33 1.18 0.01 98.81 0.34 0.13 0.63 98.46 0.44 0.00 0.00 0.00 68 D H H 77.55 3.50 21.58 24.88 91.51 50.64 -63.80 -41.29 0.91 0.00 99.08 0.33 0.08 0.41 99.04 0.13 0.00 0.00 0.00 69 R H H 117.58 3.31 21.08 24.02 91.68 50.04 -64.70 -41.93 0.35 0.00 99.65 0.06 0.02 0.20 99.65 0.07 0.00 0.00 0.00 70 L H H 35.19 12.68 17.09 30.74 92.05 49.71 -64.53 -42.59 0.24 0.00 99.76 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 71 W H H 87.25 9.15 17.25 27.41 92.08 49.77 -64.34 -41.61 0.30 0.00 99.69 0.04 0.02 0.18 99.70 0.05 0.00 0.00 0.00 72 Q H H 103.33 2.13 19.18 20.54 91.84 50.00 -64.75 -41.73 0.64 0.00 99.35 0.09 0.04 0.42 99.37 0.08 0.00 0.00 0.00 73 K H H 103.83 3.94 17.42 21.85 92.24 49.41 -65.16 -40.80 1.53 0.01 98.47 0.22 0.11 1.02 98.49 0.16 0.00 0.00 0.00 74 K H H 83.08 8.33 14.28 23.71 92.41 50.47 -65.53 -40.06 4.34 0.03 95.62 0.84 0.38 2.80 95.55 0.40 0.00 0.01 0.01 75 K H H 116.48 3.44 14.86 19.15 92.67 51.26 -65.17 -38.70 10.17 0.13 89.70 2.34 1.04 6.50 89.09 0.91 0.02 0.06 0.05 76 A H H 70.05 1.83 13.85 15.78 93.50 52.51 -67.01 -33.31 18.33 0.29 81.38 5.01 2.24 10.62 80.32 1.52 0.03 0.14 0.12 77 E H H 115.58 3.31 11.66 16.27 95.90 53.70 -77.48 -19.97 32.57 0.77 66.66 10.30 4.16 17.93 64.58 2.31 0.03 0.37 0.32 78 V C H 89.07 5.15 8.89 15.47 101.15 65.64 -79.80 -6.19 54.78 1.48 43.74 10.44 8.11 35.83 40.72 3.45 0.10 0.72 0.62 79 G C T 61.38 1.25 10.93 12.74 100.45 -23.89 60.54 10.16 73.78 1.31 24.91 18.24 7.32 47.59 22.43 3.25 0.01 0.68 0.47 80 Q C C 125.44 2.98 7.76 12.65 109.89 128.37 -87.56 111.11 89.04 1.28 9.68 76.44 1.84 10.97 7.86 1.54 0.00 0.67 0.67 81 Q C C 131.86 2.86 10.52 15.07 109.91 -142.36 -90.51 113.43 99.86 0.11 0.03 99.76 0.09 0.06 0.02 0.00 0.00 0.05 0.02