NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3208 8.3001 120.3492 55.4687 32.6502 175.0441 2 A 4.3918 7.6445 120.7901 49.3639 20.2582 173.8303 3 R 4.7108 8.9561 120.0368 54.8195 34.6677 173.7920 4 E 4.5283 8.5608 120.4769 55.4253 31.4853 175.9847 5 V 4.3373 8.1269 122.7649 61.0176 33.9846 174.6891 6 K 5.1710 8.5133 127.8599 55.7243 33.4857 176.2081 7 L 4.8763 8.1072 122.0894 53.3512 46.6485 175.9269 8 T 4.6296 8.3440 118.2618 62.4585 70.0583 176.0886 9 K 3.8784 8.7862 121.5185 60.1464 31.8641 179.2620 10 A 4.1172 8.2092 120.2136 55.3601 17.7278 179.7656 11 G 3.6162 7.9987 103.6916 47.7661 0.0000 175.3864 12 Y 4.1359 8.2074 121.9383 60.7954 38.9877 177.6636 13 E 4.0128 8.6253 119.4098 58.9317 29.3308 179.2982 14 R 3.9246 7.8152 119.1583 59.1762 30.1455 178.2955 15 L 4.0174 7.5993 117.8904 57.2894 41.5948 179.2938 16 M 3.8325 7.5815 118.5749 58.5469 31.8902 178.4716 17 Q 4.0539 7.8972 118.0198 59.3202 28.8861 179.2321 18 Q 3.9014 7.8457 120.5296 58.8320 29.0447 177.9142 19 L 3.9412 7.7996 121.7196 57.6933 42.2201 178.4272 20 E 3.8473 8.4989 119.7523 59.4187 29.6490 178.8719 21 R 3.9187 8.1123 118.1394 59.5490 30.1439 178.9405 22 E 3.9750 8.2124 118.1007 59.4120 29.4101 179.7015 23 R 3.9116 8.0380 118.1827 59.1802 30.1387 178.9299 24 E 3.9603 8.0481 117.9590 59.5670 29.5159 179.5976 25 R 3.9337 8.0861 118.0518 59.1146 30.0333 178.8925 26 L 3.9539 8.0182 120.1863 58.1996 42.0750 179.0190 27 Q 3.9518 8.0768 117.9999 58.9546 28.6302 178.5439 28 E 3.8906 8.3134 120.0280 59.1232 29.7144 178.5948 29 A 3.9751 8.5000 121.1698 55.5067 18.5769 179.7558 30 T 3.7751 8.5361 114.4935 66.5419 68.5883 176.6350 31 K 3.8692 8.1123 121.5056 59.8433 32.2062 178.8586 32 I 3.7422 7.9077 119.9418 64.2094 36.7549 178.1336 33 L 3.9508 7.7535 120.4378 58.2022 42.1364 178.5761 34 Q 4.1009 8.0310 119.1983 58.9841 28.6833 177.5363 35 E 4.0461 8.1408 119.5934 58.4392 29.4502 177.8377 36 L 4.2005 7.6613 118.8328 56.8371 42.3253 177.5769 37 M 4.3698 7.6707 117.8240 57.7033 32.5837 177.7993 38 E 4.1768 8.0842 116.8845 58.5992 30.1460 178.1847 39 S 4.1364 8.0063 113.2730 60.0573 62.3714 176.2704 40 S 4.4317 8.5766 117.7831 56.4311 61.7113 173.0778 41 D 4.5383 8.5122 123.7658 57.1407 41.1501 176.4067 42 D 4.2794 7.9941 119.6092 55.0911 39.8329 174.1407 43 Y 4.7384 8.0368 124.5902 56.9407 38.3061 176.2801 44 D 4.9195 8.4527 118.2595 54.0077 39.4676 175.8264 45 D 4.6638 7.7247 119.5722 53.7795 41.9474 177.4440 46 S 4.2814 8.7389 120.1660 62.0904 63.0216 176.0118 47 G 3.5907 8.6410 109.7823 46.8038 0.0000 174.8444 48 L 3.8857 7.9631 121.9003 57.7514 42.2522 179.6165 49 E 3.9543 8.0079 117.7659 59.0972 29.5282 178.9834 50 A 4.0285 8.3546 121.0381 54.6568 18.3753 179.7124 51 A 3.8479 7.8416 119.1352 55.1223 18.6428 179.1095 52 K 3.6532 7.8899 118.2905 60.0154 32.1567 178.3311 53 Q 3.9061 7.9169 119.1927 59.1905 28.8977 178.0487 54 E 3.8678 8.0625 120.0101 59.0805 29.7102 178.4608 55 K 3.8015 8.0260 119.3584 59.5244 32.2256 178.1611 56 A 4.9037 7.7817 122.1627 54.6483 18.3290 179.2527 57 R 3.8028 8.3374 117.2547 60.0287 30.1221 178.7628 58 I 3.7329 8.0718 119.6187 64.3260 36.9662 178.2781 59 E 3.9487 8.6252 119.7841 59.1612 29.1699 179.2947 60 A 3.9350 8.0861 120.8506 55.4144 18.6362 179.9444 61 R 3.8304 7.8616 116.3267 59.2957 30.0435 179.5459 62 I 3.7443 7.7132 119.6567 64.4534 37.2788 178.1411 63 D 4.3871 8.2948 119.8945 57.4215 40.6084 179.0617 64 S 4.1411 8.3057 115.9278 61.5520 62.8322 176.7333 65 L 4.0148 7.7953 121.5799 57.7486 41.3194 179.3822 66 E 4.0262 8.3264 118.6626 58.9480 29.1297 178.8253 67 D 4.2473 7.8142 117.5094 57.4074 41.7783 177.6906 68 I 3.8670 7.7293 120.2587 64.7509 37.1269 178.3335 69 L 4.1733 7.8991 119.5777 57.8526 41.2236 179.7294 70 S 4.2899 8.0332 112.9861 60.6255 63.1468 175.7279 71 R 4.3338 7.8593 120.1658 55.2715 30.5678 175.7499 72 A 4.3350 7.0594 120.3154 52.8462 19.4115 177.4716 73 V 4.1930 8.6382 120.7700 60.8989 34.6535 174.6497 74 I 4.4128 8.2270 129.7271 61.2209 37.3952 176.3905 75 L 4.3621 8.6398 127.6898 53.9187 42.5121 177.0181 76 E 4.0934 8.6307 120.2487 56.3175 29.3695 176.2869 77 E 3.7942 8.0676 119.5432 59.3953 29.9592 177.7205 78 G 3.7424 7.7630 119.0603 45.9078 0.0000 172.3091 79 S 4.3853 8.4666 118.8944 57.1573 65.2169 174.9725 80 G 3.8318 8.5116 114.5833 45.1004 0.0000 172.4767 81 E 4.3204 8.4084 118.2192 55.8581 30.3622 176.2427 82 V 4.5478 7.8846 118.7053 60.0841 34.5700 175.1559 83 I 4.2118 8.5092 123.0824 60.6623 38.6172 175.5432 84 G 4.6339 8.7634 113.5989 44.2209 0.0000 171.3743 85 L 4.2990 8.5329 119.1748 56.4238 41.8698 178.4168 86 G 4.0174 9.1227 110.9286 45.5945 0.0000 174.1366 87 S 4.9524 7.9031 116.7980 58.0490 64.4492 173.3426 88 V 4.6056 8.4807 123.9709 61.4077 33.3520 174.2447 89 V 4.8041 9.1455 128.5618 61.1839 34.1354 173.8627 90 E 5.0160 9.1124 127.7395 54.9471 31.4638 175.1084 91 L 5.4494 9.1818 123.4900 52.9134 46.3260 175.0457 92 E 5.1631 8.9201 121.5591 54.5833 33.3101 174.0553 93 D 4.4439 9.3224 127.2395 53.4676 41.5045 175.4405 94 P 4.0682 0.0000 0.0000 65.7072 30.9621 177.5178 95 L 4.0210 7.0954 117.4663 57.5446 40.6126 178.4643 96 S 4.1289 8.4172 113.3534 59.2900 63.5499 175.7583 97 G 4.0146 8.5397 109.1922 46.3322 0.0000 173.0495 98 E 4.2254 7.5403 120.0136 55.7039 30.7311 175.4896 99 R 5.0672 8.5605 126.7432 55.1792 32.1584 175.0948 100 L 4.6952 8.9556 126.7988 53.5665 45.6473 174.5287 101 S 5.2327 8.6085 120.4220 56.7576 64.9720 172.9857 102 V 4.6135 8.5297 124.3740 61.8141 35.5696 172.1370 103 Q 4.9341 9.0821 127.4757 54.1756 32.0006 174.3889 104 V 4.3259 8.3200 126.7169 62.9517 33.0831 175.3454 105 V 4.7937 9.0789 120.0743 59.7295 36.9064 174.8458 106 S 4.6163 8.6309 116.6844 57.8678 63.7866 173.9341 107 P 4.5229 0.0000 0.0000 65.5324 31.1390 178.1467 108 A 4.3241 7.8804 117.6713 53.4212 18.7779 177.4906 109 E 4.2913 8.2460 114.3514 56.3339 30.2770 176.6452 110 A 4.1412 7.2179 121.7632 52.3511 18.9854 176.7511 111 N 4.7494 8.6727 120.6675 52.3735 42.1184 175.5899 112 V 3.6926 8.4840 125.9460 65.5411 31.9791 176.8796 113 L 4.1809 8.3262 119.5779 57.0599 41.8115 177.2513 114 D 4.6323 8.1683 117.1476 54.1870 42.9189 178.0688 115 T 3.8653 8.9862 110.3876 63.1273 67.2523 174.4786 116 P 4.2682 0.0000 0.0000 62.3551 32.1857 175.5711 117 M 3.8455 8.4754 122.5023 55.2362 33.5449 175.7943 118 K 4.8315 8.8834 122.6246 55.5495 33.9706 175.6221 119 I 4.6846 8.8439 126.8244 59.1203 39.8396 175.4882 120 S 4.4420 8.6360 120.9070 58.6664 63.0739 174.4937 121 D 4.2096 8.8110 125.6419 57.4891 41.0451 177.2425 122 A 4.5072 7.8444 118.8566 52.1730 18.8391 177.6664 123 S 4.5366 7.5991 114.2364 58.2306 65.5514 172.7950 124 P 4.1952 0.0000 0.0000 66.4854 31.1188 178.4951 125 M 4.1340 8.0707 116.1493 58.6529 32.1612 178.5410 126 G 3.5928 8.1068 106.0024 47.9298 0.0000 175.0354 127 K 3.9014 8.3635 121.2445 58.7855 32.2254 178.1762 128 A 4.1341 8.0567 121.6835 55.4406 18.8052 179.3995 129 L 4.2067 7.9440 117.0335 56.4194 41.7927 177.4675 130 L 4.1715 7.3490 119.8192 57.1445 42.1190 177.0992 131 G 3.9161 9.0556 114.6510 45.4214 0.0000 172.8687 132 H 4.9368 8.0924 117.1016 54.1809 31.0036 173.6369 133 R 5.0971 8.2359 116.5548 53.7347 32.4435 174.7894 134 V 3.9835 8.1418 117.6610 64.3308 31.8533 174.2310 135 G 4.2889 9.0328 115.9385 45.7350 0.0000 173.9158 136 D 4.5590 8.0300 118.5366 54.3486 42.3078 175.9848 137 V 4.9280 8.2374 119.6065 61.2585 34.1761 174.6039 138 L 4.8794 9.0677 127.3421 52.9403 45.5399 175.1770 139 S 5.1205 8.6064 116.4302 57.0594 63.8525 173.0446 140 L 4.8650 9.4057 128.1322 52.4608 44.5098 175.5284 141 D 4.7354 8.8813 123.3224 55.2409 41.7446 175.7618 142 T 4.7760 8.3387 120.4383 61.2983 72.8552 173.0181 143 P 4.2948 0.0000 0.0000 65.6724 31.4493 178.2674 144 K 4.1062 8.0430 114.5782 57.3591 32.9669 176.0255 145 G 4.1733 7.1339 116.9973 44.5738 0.0000 172.0056 146 R 4.0701 8.3618 126.3719 57.5437 30.3760 175.6552 147 R 4.7087 8.8244 124.7755 54.4276 33.7365 174.6639 148 E 5.2349 8.3804 120.0074 54.7588 31.8115 175.5240 149 F 5.0829 9.5946 122.5348 55.6736 43.2591 173.9891 150 R 4.9736 8.8198 121.3205 54.5798 32.7097 175.5078 151 V 3.6824 8.4942 126.4127 62.8525 31.2775 176.4971 152 V 3.7920 8.6199 129.4572 65.6868 32.1036 175.9601 153 A 4.3770 7.3659 118.0831 51.3405 22.3498 175.5615 154 I 4.5299 8.2934 120.8667 59.7314 37.8256 175.1223 155 H 4.3977 8.7819 124.5738 58.3320 29.7787 175.8370 156 G 3.7653 8.1428 111.5611 45.8287 0.0000 172.9706 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 8.30 4.32 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 A 7.64 4.39 1.24 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 0.00 0.00 0.00 3 R 8.96 4.71 0.00 1.77 1.80 0.00 3.37 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 4 E 8.56 4.53 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 5 V 8.13 4.34 2.12 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 1.01 0.00 0.00 0.95 0.00 0.00 6 K 8.51 5.17 0.00 1.81 1.71 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.37 7.81 7 L 8.11 4.88 0.00 1.63 1.60 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.34 4.63 4.37 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 1.23 0.00 0.00 9 K 8.79 3.88 0.00 1.79 1.91 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.48 7.81 10 A 8.21 4.12 1.35 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 G 8.00 3.62 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 0.00 0.00 0.00 12 Y 8.21 4.14 0.00 3.14 3.17 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 13 E 8.63 4.01 0.00 2.07 2.00 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 2.45 2.71 0.00 14 R 7.82 3.92 0.00 2.03 2.13 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 15 L 7.60 4.02 0.00 1.57 1.58 0.91 0.84 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 16 M 7.58 3.83 0.00 1.92 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 17 Q 7.90 4.05 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 18 Q 7.85 3.90 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 19 L 7.80 3.94 0.00 1.86 1.81 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.50 3.85 0.00 2.15 1.98 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 2.28 2.48 0.00 21 R 8.11 3.92 0.00 1.97 1.95 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 22 E 8.21 3.98 0.00 2.16 1.97 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 2.46 0.00 23 R 8.04 3.91 0.00 2.01 1.96 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 24 E 8.05 3.96 0.00 2.16 1.98 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 2.48 2.48 0.00 25 R 8.09 3.93 0.00 1.98 1.96 0.00 3.27 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 26 L 8.02 3.95 0.00 1.83 1.88 0.90 0.64 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 27 Q 8.08 3.95 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 28 E 8.31 3.89 0.00 2.08 2.06 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 2.30 2.36 0.00 29 A 8.50 3.98 1.38 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 30 T 8.54 3.78 4.37 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 31 K 8.11 3.87 0.00 1.91 2.00 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 32 I 7.91 3.74 1.86 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 0.48 0.91 0.00 0.00 33 L 7.75 3.95 0.00 1.73 1.90 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.03 4.10 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 35 E 8.14 4.05 0.00 2.13 2.07 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 2.31 2.36 0.00 36 L 7.66 4.20 0.00 1.98 1.84 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.67 4.37 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.58 0.00 38 E 8.08 4.18 0.00 2.11 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 0.00 2.28 2.60 0.00 39 S 8.01 4.14 0.00 4.01 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.58 4.43 0.00 3.91 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 41 D 8.51 4.54 0.00 2.62 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 42 D 7.99 4.28 0.00 2.64 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 43 Y 8.04 4.74 0.00 3.07 3.13 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 44 D 8.45 4.92 0.00 2.87 2.85 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 45 D 7.72 4.66 0.00 2.84 2.61 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 S 8.74 4.28 0.00 4.06 4.00 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 8.64 3.59 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 L 7.96 3.89 0.00 1.77 1.73 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.01 3.95 0.00 2.20 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 2.44 2.47 0.00 50 A 8.35 4.03 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 51 A 7.84 3.85 1.34 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 0.00 0.00 52 K 7.89 3.65 0.00 1.85 1.98 0.00 1.47 0.00 0.00 1.45 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.46 7.81 53 Q 7.92 3.91 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 54 E 8.06 3.87 0.00 2.23 2.06 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 2.29 2.34 0.00 55 K 8.03 3.80 0.00 1.85 1.93 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.45 7.81 56 A 7.78 4.90 1.37 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 57 R 8.34 3.80 0.00 2.08 2.05 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 58 I 8.07 3.73 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.97 0.00 0.00 59 E 8.63 3.95 0.00 2.10 1.98 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 2.55 0.00 60 A 8.09 3.94 1.36 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 61 R 7.86 3.83 0.00 1.87 1.96 0.00 3.09 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 62 I 7.71 3.74 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 0.90 0.00 0.00 63 D 8.29 4.39 0.00 2.66 2.70 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 64 S 8.31 4.14 0.00 3.99 3.88 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 65 L 7.80 4.01 0.00 1.97 1.67 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.33 4.03 0.00 2.15 1.98 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 2.28 0.00 67 D 7.81 4.25 0.00 2.68 2.89 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 68 I 7.73 3.87 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.93 0.00 0.00 69 L 7.90 4.17 0.00 1.88 1.75 0.81 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.03 4.29 0.00 4.06 4.10 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 0.00 0.00 0.00 0.00 71 R 7.86 4.33 0.00 2.04 2.17 0.00 3.17 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 72 A 7.06 4.34 1.43 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 73 V 8.64 4.19 2.06 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 0.94 0.00 0.00 0.99 0.00 0.00 74 I 8.23 4.41 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.26 0.85 0.00 0.00 75 L 8.64 4.36 0.00 1.52 1.59 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.63 4.09 0.00 1.95 1.88 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 2.28 0.00 77 E 8.07 3.79 0.00 1.95 1.88 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 2.32 2.31 0.00 78 G 7.76 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.47 4.39 0.00 3.79 3.80 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 80 G 8.51 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.41 4.32 0.00 1.98 1.92 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 2.31 2.24 0.00 82 V 7.88 4.55 2.08 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 0.73 0.00 0.00 0.92 0.00 0.00 83 I 8.51 4.21 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.91 0.00 0.00 84 G 8.76 4.63 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 85 L 8.53 4.30 0.00 1.64 1.63 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 G 9.12 4.02 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 87 S 7.90 4.95 0.00 3.89 3.79 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 88 V 8.48 4.61 2.17 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 1.02 0.00 0.00 1.00 0.00 0.00 89 V 9.15 4.80 2.04 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 0.94 0.00 0.00 0.92 0.00 0.00 90 E 9.11 5.02 0.00 1.98 1.81 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 2.23 2.20 0.00 91 L 9.18 5.45 0.00 1.39 1.56 0.55 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.92 5.16 0.00 2.07 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 2.22 2.26 0.00 93 D 9.32 4.44 0.00 2.29 2.44 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 0.00 94 P 0.00 4.07 0.00 2.01 2.04 0.00 3.56 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 95 L 7.10 4.02 0.00 1.55 1.56 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.42 4.13 0.00 4.04 4.09 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 0.00 0.00 0.00 0.00 97 G 8.54 4.01 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 98 E 7.54 4.23 0.00 2.18 1.97 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 2.37 2.36 0.00 99 R 8.56 5.07 0.00 1.87 1.81 0.00 3.49 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 100 L 8.96 4.70 0.00 1.64 1.20 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.61 5.23 0.00 3.87 3.67 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 0.00 0.00 0.00 0.00 102 V 8.53 4.61 2.00 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 0.73 0.00 0.00 0.87 0.00 0.00 103 Q 9.08 4.93 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 104 V 8.32 4.33 2.07 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 0.84 0.00 0.00 0.92 0.00 0.00 105 V 9.08 4.79 2.08 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 0.80 0.00 0.00 0.95 0.00 0.00 106 S 8.63 4.62 0.00 3.88 3.77 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 0.00 107 P 0.00 4.52 0.00 2.17 2.13 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 108 A 7.88 4.32 1.27 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 0.00 109 E 8.25 4.29 0.00 2.03 2.00 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 2.28 2.24 0.00 110 A 7.22 4.14 1.32 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 0.00 0.00 0.00 111 N 8.67 4.75 0.00 2.72 2.80 0.00 0.00 6.45 6.99 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 0.00 112 V 8.48 3.69 2.07 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 0.85 0.00 0.00 0.92 0.00 0.00 113 L 8.33 4.18 0.00 1.74 1.70 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.17 4.63 0.00 2.75 2.63 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 0.00 115 T 8.99 3.87 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 0.00 116 P 0.00 4.27 0.00 2.06 2.06 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 117 M 8.48 3.85 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.84 0.00 118 K 8.88 4.83 0.00 1.83 1.72 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.48 7.81 119 I 8.84 4.68 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.03 0.89 0.00 0.00 120 S 8.64 4.44 0.00 3.90 3.73 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 0.00 121 D 8.81 4.21 0.00 2.82 2.68 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 0.00 122 A 7.84 4.51 1.27 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 0.00 123 S 7.60 4.54 0.00 4.09 3.99 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 0.00 0.00 0.00 124 P 0.00 4.20 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 125 M 8.07 4.13 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 126 G 8.11 3.59 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 0.00 127 K 8.36 3.90 0.00 1.75 2.03 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.62 7.81 128 A 8.06 4.13 1.37 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 0.00 129 L 7.94 4.21 0.00 1.75 1.73 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.35 4.17 0.00 1.82 1.62 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 131 G 9.06 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 0.00 132 H 8.09 4.94 0.00 3.30 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.24 5.10 0.00 1.90 2.29 0.00 2.78 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 134 V 8.14 3.98 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 0.90 0.00 0.00 0.97 0.00 0.00 135 G 9.03 4.29 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 0.00 136 D 8.03 4.56 0.00 2.84 2.63 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 0.00 137 V 8.24 4.93 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 0.88 0.00 0.00 1.00 0.00 0.00 138 L 9.07 4.88 0.00 1.60 1.48 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.61 5.12 0.00 3.88 3.77 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 0.00 140 L 9.41 4.87 0.00 1.75 1.57 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.88 4.74 0.00 2.70 2.60 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 0.00 142 T 8.34 4.78 4.39 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 1.30 0.00 0.00 143 P 0.00 4.29 0.00 2.05 2.11 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 144 K 8.04 4.11 0.00 1.86 1.95 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 145 G 7.13 4.17 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 0.00 146 R 8.36 4.07 0.00 1.85 1.91 0.00 3.19 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 147 R 8.82 4.71 0.00 1.78 1.39 0.00 3.14 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.90 0.00 148 E 8.38 5.23 0.00 1.71 1.80 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 2.18 2.36 0.00 149 F 9.59 5.08 0.00 2.89 2.91 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 0.00 150 R 8.82 4.97 0.00 1.89 1.93 0.00 3.12 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 151 V 8.49 3.68 2.25 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 0.84 0.00 0.00 0.95 0.00 0.00 152 V 8.62 3.79 2.20 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 0.77 0.00 0.00 1.01 0.00 0.00 153 A 7.37 4.38 1.13 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 0.00 154 I 8.29 4.53 1.87 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 1.34 0.71 0.91 0.00 0.00 155 H 8.78 4.40 0.00 3.04 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.14 3.77 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