NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4749 8.1633 118.3247 55.3829 33.6384 173.4252 2 Q 4.9519 8.2135 117.5001 52.3528 31.5328 173.4572 3 I 4.4254 8.8113 116.5206 59.0160 42.2493 173.6042 4 F 5.4832 8.5979 120.8313 55.7193 42.5437 175.0287 5 V 4.8259 8.9607 121.5104 61.1143 34.3412 174.1128 6 K 4.9082 9.1193 130.9677 55.7792 33.7648 175.9340 7 T 4.9219 8.8589 117.8301 59.9639 71.3611 175.5715 8 L 4.2068 8.5628 121.3278 56.9473 41.8869 178.1354 9 T 4.1583 7.8433 107.5296 61.7430 69.0388 175.5115 10 G 3.9241 8.0650 110.7079 45.0152 0.0000 173.7441 11 K 4.2077 7.8474 121.4573 56.4218 33.6607 175.7899 12 T 5.0010 8.4284 123.0121 62.0712 70.3497 173.5879 13 I 4.3831 8.9145 128.7835 60.4075 39.0775 175.0546 14 T 5.1059 8.5691 123.1362 62.0189 70.3839 173.9442 15 L 4.7716 8.7750 125.7951 52.8211 45.4648 175.1354 16 E 4.6862 8.6427 123.1996 55.1525 30.3141 175.2715 17 V 4.7776 8.7376 119.7630 59.9277 36.3867 174.5054 18 E 4.7209 8.9702 120.5656 53.8700 32.5102 175.8538 19 P 4.1777 0.0000 0.0000 65.7213 31.5005 178.3396 20 S 4.4357 7.8828 109.7702 58.7520 63.7678 174.0901 21 D 4.5285 8.0266 123.5775 54.6974 41.2360 176.4032 22 T 4.6378 8.4784 114.2118 61.3698 70.9550 175.8960 23 I 3.7288 8.6420 123.4516 64.5272 37.0162 178.4799 24 E 3.9120 8.2553 120.2282 59.2249 29.4617 178.3871 25 N 4.2655 8.2489 116.5869 56.5296 38.5930 177.4567 26 V 3.5677 7.7287 119.2678 65.9324 31.5311 178.0828 27 K 4.3517 8.5869 119.5716 58.9010 31.8100 179.0953 28 A 3.9819 8.2052 121.0048 55.1236 18.2921 179.8414 29 K 3.9003 8.1848 116.9667 59.6406 32.0410 179.6307 30 I 3.6855 7.9693 120.2245 64.3164 36.9396 178.1427 31 Q 4.1124 8.2539 121.9676 58.7879 28.6576 178.1079 32 D 4.3694 8.1167 118.9173 57.0162 40.9995 178.3586 33 K 4.3234 7.9128 116.7937 57.6673 33.3035 176.9959 34 E 4.4726 8.4777 117.3175 55.3102 31.5135 177.0372 35 G 3.9145 8.5495 106.8951 45.1650 0.0000 173.2177 36 I 4.1537 7.3538 121.4202 59.2108 38.2127 173.6644 37 P 4.3797 0.0000 0.0000 61.9375 32.1626 175.4116 38 P 4.2485 0.0000 0.0000 65.8976 31.3457 177.9659 39 D 4.5319 7.9838 115.0800 55.1366 39.8670 176.6560 40 Q 4.3467 8.1648 118.8572 56.1621 29.1908 174.4614 41 Q 4.9196 7.8822 118.3884 54.1636 31.3087 174.7360 42 R 4.8532 9.1279 122.8560 54.2845 33.6426 174.4945 43 L 5.2334 8.5173 122.9427 52.9638 44.8523 175.2007 44 I 5.0282 8.6352 124.1429 59.4848 40.3529 174.5511 45 F 4.9010 9.1043 128.3517 57.0473 43.0501 174.0657 46 A 3.0853 8.5483 128.7195 53.3400 15.6221 177.2268 47 G 3.9476 8.0861 103.5561 46.4897 0.0000 173.4855 48 K 4.6078 7.7079 117.9565 54.0829 35.4755 174.7914 49 Q 4.7715 8.4384 123.2290 54.8062 30.1294 174.8944 50 L 3.8356 8.7127 127.8255 54.4270 42.5093 176.4160 51 E 4.4778 9.2706 123.8016 55.2796 31.0337 177.2645 52 D 4.3628 9.0779 123.6224 57.5442 41.0444 178.6689 53 G 3.8470 8.0083 104.4809 46.2485 0.0000 173.6404 54 R 4.3697 7.7654 119.7069 55.3066 31.4973 175.4114 55 T 4.9882 8.1611 109.6767 59.5790 71.4183 174.7974 56 L 4.2071 8.6773 121.9258 58.2366 41.8567 180.4687 57 S 4.1917 8.1584 114.5046 61.5404 62.9160 176.4414 58 D 4.1831 7.7339 119.0384 56.9631 40.3258 176.7523 59 Y 4.6159 7.9598 115.4612 56.8922 37.9083 175.1569 60 N 4.7855 8.2065 116.8028 54.3659 38.0486 174.1483 61 I 3.5955 7.2779 116.9450 60.6110 37.3256 175.8023 62 Q 4.6117 8.1925 124.2895 52.8897 31.4460 175.0152 63 K 3.9661 8.3599 117.5455 59.0442 32.4028 176.5919 64 E 3.7104 9.1763 119.6966 57.0086 27.9032 174.9282 65 S 4.5100 7.7370 115.6902 59.0302 64.2389 173.3205 66 T 5.1140 8.7140 119.0792 62.0893 70.3207 173.9550 67 L 4.9275 9.1736 127.1230 54.0768 44.3601 175.2593 68 H 5.2785 9.0744 118.4549 54.0887 31.2638 173.0453 69 L 5.0358 8.7046 126.0664 53.6436 43.5404 175.7296 70 V 4.5320 8.8792 125.6053 61.0936 34.7348 174.4529 71 L 4.8952 8.5200 126.6969 53.9667 43.2287 176.6492 72 R 4.2015 8.5051 121.6181 56.6291 29.6573 176.0509 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.47 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 2 Q 8.21 4.95 0.00 1.90 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 3 I 8.81 4.43 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.16 0.72 0.00 0.00 4 F 8.60 5.48 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.96 4.83 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 6 K 9.12 4.91 0.00 1.77 1.54 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.37 7.81 7 T 8.86 4.92 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 L 8.56 4.21 0.00 1.67 1.77 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.84 4.16 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 G 8.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.85 4.21 0.00 1.90 1.68 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.43 5.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 13 I 8.91 4.38 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.93 0.00 0.00 14 T 8.57 5.11 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 15 L 8.78 4.77 0.00 1.48 1.45 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.64 4.69 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 17 V 8.74 4.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.87 0.00 0.00 18 E 8.97 4.72 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.88 4.44 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.03 4.53 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.48 4.64 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 8.64 3.73 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.09 0.96 0.00 0.00 24 E 8.26 3.91 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 25 N 8.25 4.27 0.00 3.06 2.86 0.00 0.00 6.67 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.73 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 27 K 8.59 4.35 0.00 2.01 1.85 0.00 1.82 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.48 7.81 28 A 8.21 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.18 3.90 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.97 3.69 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.91 0.00 0.00 31 Q 8.25 4.11 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 8.12 4.37 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.91 4.32 0.00 1.93 1.93 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.47 7.81 34 E 8.48 4.47 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 35 G 8.55 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.35 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.91 0.00 0.00 37 P 0.00 4.38 0.00 2.30 1.97 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 38 P 0.00 4.25 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 7.98 4.53 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.16 4.35 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 41 Q 7.88 4.92 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 42 R 9.13 4.85 0.00 1.76 1.79 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.52 5.23 0.00 1.53 1.52 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.64 5.03 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.99 0.89 0.00 0.00 45 F 9.10 4.90 0.00 3.04 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.55 3.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.71 4.61 0.00 1.97 1.67 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.37 7.81 49 Q 8.44 4.77 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 50 L 8.71 3.84 0.00 1.39 1.30 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.27 4.48 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 52 D 9.08 4.36 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.01 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.77 4.37 0.00 2.03 1.82 0.00 2.93 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 55 T 8.16 4.99 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 56 L 8.68 4.21 0.00 1.86 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.16 4.19 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.73 4.18 0.00 2.55 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.96 4.62 0.00 3.31 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.21 4.79 0.00 2.88 2.98 0.00 0.00 7.11 8.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.28 3.60 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.62 0.50 0.00 0.00 62 Q 8.19 4.61 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 63 K 8.36 3.97 0.00 1.80 1.80 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.49 7.81 64 E 9.18 3.71 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 65 S 7.74 4.51 0.00 3.60 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.71 5.11 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 67 L 9.17 4.93 0.00 1.56 1.61 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.07 5.28 0.00 3.06 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.70 5.04 0.00 1.63 1.56 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.88 4.53 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 71 L 8.52 4.90 0.00 1.55 1.57 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.51 4.20 0.00 1.80 1.80 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00