NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4455 8.1927 115.4125 57.8186 64.7291 174.2467 3 V 3.2456 8.2488 121.5703 66.0853 31.3842 176.8277 4 Y 4.0952 8.6035 117.2537 61.0268 37.8905 177.7838 5 D 4.3688 7.7472 117.8506 57.1994 41.4131 178.2352 6 A 4.0710 7.9132 120.8032 55.1103 18.3680 179.5365 7 A 3.8487 8.4478 119.4798 55.1705 18.2153 179.6560 8 A 4.0661 7.6728 117.8261 54.7520 18.5176 179.1521 9 Q 4.3068 7.6564 114.8208 56.5965 29.5301 176.8863 10 L 4.2612 7.5092 121.3569 53.6543 40.4689 177.0588 11 T 4.2587 7.8163 114.8785 60.1570 71.5772 174.9956 12 A 3.9677 8.5484 122.6890 55.6954 18.1471 179.5980 13 D 4.2801 7.9838 116.8288 56.4678 39.5761 178.7906 14 V 3.4894 7.2946 119.3644 65.6744 31.5462 178.0942 15 K 3.8084 8.2779 118.6155 59.2870 31.7595 179.2553 16 K 3.9690 8.0284 119.8214 59.7019 32.1858 178.7167 17 D 4.5996 8.2207 119.1845 57.2082 40.5996 178.7912 18 L 3.7057 8.0636 119.7196 57.8262 41.6316 179.7991 19 R 4.0511 8.1092 117.9419 59.4426 28.6200 178.9455 20 D 4.5011 8.6455 119.3471 57.4363 40.8386 179.0130 21 S 3.3708 8.3776 114.8548 60.6702 63.0841 176.2985 22 W 4.2818 8.7296 132.2567 60.1364 30.2013 177.6137 23 K 3.8227 8.0265 118.9501 59.3981 31.8956 178.5663 24 V 3.7014 7.0621 116.1644 65.7364 31.5023 178.2023 25 I 3.6474 7.5308 112.7531 63.3233 37.2489 177.7974 26 G 2.2785 7.0479 106.5447 45.7677 0.0000 175.3800 27 S 4.2997 7.3013 115.5130 59.5381 64.1583 173.7642 28 D 4.6413 7.2254 120.6570 51.1156 41.2545 175.7482 29 K 3.8274 8.1761 123.8810 58.6432 32.4103 178.3262 30 K 3.9901 7.9906 119.4630 59.4085 32.2345 178.8885 31 G 3.6728 8.0155 106.6335 47.6065 0.0000 175.3403 32 N 4.4220 8.2839 119.9129 55.2608 38.6349 177.9278 33 G 3.5278 8.1879 107.5415 47.9201 0.0000 176.0112 34 V 3.5898 7.8540 121.0607 65.2135 31.4979 177.8502 35 A 3.9042 8.0495 120.6555 55.1020 18.2333 179.4348 36 L 3.7846 8.0247 117.7009 58.2766 41.7283 179.8480 37 M 3.4965 7.6543 118.1281 58.4220 31.8058 179.0323 38 T 3.9658 7.9980 110.1727 65.0698 68.7990 176.7465 39 T 3.7833 7.9181 118.6434 66.0613 68.3199 176.3526 40 L 3.7853 7.6441 122.2747 58.3023 41.6738 179.2149 41 F 4.4904 7.5939 117.3721 60.4152 38.5530 177.6862 42 A 4.1012 8.1883 120.1312 55.1201 18.3260 178.9212 43 D 4.6195 8.2282 115.8940 55.3362 42.7101 176.8190 44 N 5.1045 8.3902 116.5178 50.5125 39.3748 174.8217 45 Q 4.2779 8.4073 121.7632 58.1844 29.1176 178.1781 46 E 4.1721 8.2399 116.9284 58.5149 29.9201 178.1005 47 T 4.4812 8.3302 110.6680 63.2321 69.3377 176.6373 48 I 3.8046 7.8252 123.3110 64.4366 36.8262 178.0326 49 G 3.6612 8.1182 107.5024 48.8668 0.0000 174.2145 50 Y 4.3047 7.8004 116.6167 60.1849 38.0910 176.7115 51 F 4.8914 8.3783 118.8880 56.8957 39.7297 177.8814 52 K 3.9143 8.2200 124.8493 59.3945 32.1966 178.6357 53 R 3.9669 8.0352 117.9781 59.0923 30.0403 176.9324 54 L 4.2654 8.1010 115.7577 54.7882 42.7517 179.0569 55 G 3.7459 7.7669 107.0089 46.8327 0.0000 176.5760 56 D 4.5101 8.3557 122.2235 53.1881 40.8931 176.9450 57 V 3.7556 7.9295 120.4454 63.3685 31.4417 178.0714 58 S 4.2104 7.6654 114.3026 61.4631 62.4020 176.1566 59 Q 4.1209 8.1837 120.1384 56.7689 28.7284 177.4940 60 G 3.9354 8.6294 109.2482 46.1653 0.0000 176.2583 61 M 3.8547 9.0502 121.4961 58.5022 32.0078 177.3730 62 A 4.0054 7.5579 119.8705 54.2748 18.8783 177.3161 63 N 4.6067 8.2510 115.4511 52.9545 39.4828 175.3425 64 D 4.3813 8.6782 129.1384 57.3934 40.9528 178.9155 65 K 4.0325 8.1302 118.6931 59.2506 32.0796 179.0310 66 L 4.0212 8.4984 120.8607 58.0248 42.0322 179.0087 67 R 3.9878 8.3505 119.0053 59.2710 30.0961 178.6216 68 G 3.6859 8.2875 105.6496 48.1245 0.0000 174.8919 69 H 4.1661 8.4464 121.2083 59.1835 29.8744 177.4734 70 S 4.0576 8.4383 117.0648 61.5530 62.6885 176.7615 71 I 3.7323 7.9032 122.4808 64.4850 36.9037 178.6433 72 V 3.7418 7.8061 118.9756 65.8946 31.4079 177.6631 73 L 3.7979 8.0912 120.2297 58.5764 41.8407 179.0211 74 M 4.1977 8.0829 118.4071 58.4655 31.8441 178.2966 75 Y 3.9082 8.0824 116.5761 60.3727 37.9558 178.0253 76 A 3.6122 7.7220 122.2515 54.8649 18.3249 179.6600 77 L 3.4942 7.3748 117.2670 57.6320 41.6280 179.2999 78 Q 3.5176 7.8566 119.6229 59.0720 28.6936 178.1121 79 N 4.2964 7.8027 116.6395 56.8035 39.4708 176.3554 80 F 4.6107 7.8140 119.1041 60.8959 38.9528 177.7690 81 I 3.5845 7.6260 119.1988 64.4796 36.6427 178.2475 82 D 4.4985 8.0778 118.2381 56.4949 40.9704 177.7023 83 Q 4.4192 7.7469 116.8166 55.9725 28.8698 177.3108 84 L 3.9769 7.5413 120.7246 57.9080 41.6639 178.1838 85 D 4.3549 8.1205 117.5898 56.3135 41.1655 175.9792 86 N 4.8195 8.2553 116.7263 50.5518 41.0596 172.7014 87 P 4.2348 0.0000 0.0000 65.6835 31.3926 178.3514 88 D 4.4699 8.6458 118.1114 57.3139 40.7817 178.4020 89 D 4.4104 8.2345 119.0443 56.9196 40.9729 178.2874 90 L 3.9675 8.0727 121.0440 58.2330 41.9861 179.3144 91 V 3.3949 7.9191 118.4894 65.9159 31.5243 177.8027 92 C 4.1375 7.9662 113.9894 61.1888 29.5194 176.3431 93 V 3.6340 7.8299 114.9511 63.8909 31.0838 178.5381 94 V 3.7600 8.0537 118.2710 66.3336 31.3706 178.0149 95 E 3.9083 8.4194 118.4401 59.0137 29.0554 179.3992 96 K 3.7891 7.7601 119.3124 59.6738 32.0223 179.0705 97 F 4.7578 8.2893 118.9646 59.7419 38.7099 177.5989 98 A 3.9969 8.3831 121.2526 55.1723 18.1937 179.7996 99 V 3.5649 7.8502 116.7681 66.2363 30.2817 177.8846 100 N 4.3569 8.1329 116.0621 56.4455 38.3507 176.6092 101 H 4.6849 7.9612 116.6396 57.7472 29.2381 177.6630 102 I 3.7391 8.1775 122.5984 64.5796 36.7272 178.5519 103 T 3.8866 7.8523 108.7214 64.2874 68.7601 175.2261 104 R 4.2325 7.2524 119.3504 55.3684 30.1395 176.1434 105 K 3.7991 7.7601 116.3943 57.4770 29.9747 175.6082 106 I 4.0208 7.5957 119.9107 59.9124 37.9919 177.2117 107 S 4.5198 8.3942 120.7084 57.3134 65.5565 174.8761 108 A 3.9554 8.4591 123.2670 55.1976 17.8333 179.7182 109 A 3.9796 7.9247 117.7849 55.5815 18.9489 179.3765 110 E 4.1544 8.4131 116.9992 59.3097 29.5008 179.3394 111 F 4.1805 8.7590 121.4062 61.0173 39.3962 177.3195 112 G 3.8444 8.4125 105.2667 47.2297 0.0000 175.3547 113 K 4.1229 7.9338 120.2249 58.5290 32.0212 178.5223 114 I 3.4018 7.6339 119.0985 63.2078 37.8033 177.2908 115 N 4.5074 8.4402 117.9199 56.1902 38.2777 177.3356 116 G 3.5488 7.6806 106.9972 47.2774 0.0000 173.6057 117 P 4.1832 0.0000 0.0000 65.2793 31.2817 178.6099 118 I 3.4959 7.6956 118.0444 64.1987 36.9217 178.4162 119 K 3.9348 8.1620 120.4269 59.4793 32.0324 179.0025 120 K 3.9516 8.0962 118.7367 59.4346 31.6731 179.5905 121 V 3.5350 7.9593 118.7304 65.8915 31.3951 178.0311 122 L 4.0126 8.1378 118.8213 57.7612 41.4576 179.3615 123 A 4.1597 8.4155 121.3164 55.1919 18.1317 179.8011 124 S 4.1739 8.0352 111.4264 60.6400 63.1356 175.7655 125 K 4.3104 7.3606 118.9252 55.3347 32.3995 175.5047 126 N 4.1021 8.2083 116.6470 54.9610 37.3945 173.9810 127 F 4.4412 8.3931 115.9093 55.2475 41.2339 176.4952 128 G 4.1755 8.5792 115.4642 44.2110 0.0000 172.6350 129 D 4.5294 8.8712 118.6602 57.3008 40.7444 178.4507 130 K 3.8295 8.1855 119.8014 59.9215 32.1084 178.2368 131 Y 4.1743 8.1486 116.0798 60.8951 38.0363 177.6376 132 A 4.2189 8.3922 121.8582 55.4260 18.5789 179.4938 133 N 4.3906 8.8296 115.2402 56.1386 38.4624 177.5251 134 A 3.9511 8.0752 122.3451 55.1209 18.4325 179.8125 135 W 3.9082 8.5911 117.2408 59.6772 29.0424 178.6370 136 A 4.0974 8.4130 120.9402 55.0964 17.5396 179.8732 137 K 3.9207 7.7626 115.9502 59.4255 32.3841 179.0450 138 L 3.9315 7.6470 120.7082 58.0538 41.9813 179.1082 139 V 3.7666 8.2295 118.2320 66.0442 31.4604 177.8457 140 A 4.3892 8.2230 121.7387 54.2761 17.8732 179.8275 141 V 3.4074 7.3182 116.6333 66.0559 31.8539 178.1274 142 V 3.4821 7.4419 117.5511 65.8628 31.2893 177.7042 143 Q 3.7974 8.0823 117.6641 58.9942 28.3393 178.8804 144 A 3.9529 7.8855 120.2838 54.3559 18.4406 178.4849 145 A 4.3027 7.4628 116.8792 52.2956 19.3716 177.2060 146 L 4.1198 7.5307 122.8213 54.7043 41.8495 176.5105 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 2 S 8.19 4.45 0.00 4.11 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 3 V 8.25 3.25 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.84 0.00 0.00 4 Y 8.60 4.10 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.75 4.37 0.00 2.70 2.73 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 6 A 7.91 4.07 1.33 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 0.00 0.00 0.00 0.00 0.00 7 A 8.45 3.85 1.29 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 8 A 7.67 4.07 1.40 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 0.00 0.00 0.00 9 Q 7.66 4.31 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 10 L 7.51 4.26 0.00 1.64 1.54 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.82 4.26 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 12 A 8.55 3.97 1.33 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 0.00 0.00 0.00 0.00 0.00 13 D 7.98 4.28 0.00 2.92 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 14 V 7.29 3.49 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 0.98 0.00 0.00 0.87 0.00 0.00 15 K 8.28 3.81 0.00 1.94 1.80 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.57 7.81 16 K 8.03 3.97 0.00 2.05 1.94 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.75 7.81 17 D 8.22 4.60 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.06 3.71 0.00 1.63 1.23 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.11 4.05 0.00 2.04 2.06 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 20 D 8.65 4.50 0.00 2.99 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 21 S 8.38 3.37 0.00 3.50 3.43 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 22 W 8.73 4.28 0.00 3.80 3.35 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 23 K 8.03 3.82 0.00 2.04 1.99 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.64 7.81 24 V 7.06 3.70 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 1.04 0.00 0.00 1.06 0.00 0.00 25 I 7.53 3.65 1.55 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.13 0.62 0.00 0.00 26 G 7.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.30 4.30 0.00 3.96 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 28 D 7.23 4.64 0.00 2.66 2.40 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 0.00 29 K 8.18 3.83 0.00 1.75 1.74 0.00 1.35 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.41 7.81 30 K 7.99 3.99 0.00 1.82 1.78 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.02 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 0.00 0.00 0.00 32 N 8.28 4.42 0.00 2.70 2.71 0.00 0.00 6.99 7.17 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 33 G 8.19 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.85 3.59 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 1.08 0.00 0.00 0.95 0.00 0.00 35 A 8.05 3.90 1.33 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 0.00 0.00 0.00 0.00 0.00 36 L 8.02 3.78 0.00 1.73 1.57 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.65 3.50 0.00 1.72 1.96 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 38 T 8.00 3.97 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 1.29 0.00 0.00 39 T 7.92 3.78 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 1.19 0.00 0.00 40 L 7.64 3.79 0.00 1.54 1.22 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.59 4.49 0.00 3.07 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 42 A 8.19 4.10 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 43 D 8.23 4.62 0.00 2.69 2.73 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 44 N 8.39 5.10 0.00 2.97 2.89 0.00 0.00 6.83 8.06 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 45 Q 8.41 4.28 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 46 E 8.24 4.17 0.00 2.13 2.11 0.00 0.00 0.00 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 2.36 0.00 47 T 8.33 4.48 4.73 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 1.48 0.00 0.00 48 I 7.83 3.80 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.83 0.66 0.00 0.00 49 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.80 4.30 0.00 2.94 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.89 0.00 3.11 3.01 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 52 K 8.22 3.91 0.00 2.01 1.82 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.49 7.81 53 R 8.04 3.97 0.00 1.84 2.00 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.10 4.27 0.00 1.79 1.74 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.77 3.75 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 0.00 0.00 0.00 56 D 8.36 4.51 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.76 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.30 0.00 0.00 58 S 7.67 4.21 0.00 3.88 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 59 Q 8.18 4.12 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.81 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 60 G 8.63 3.94 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 0.00 0.00 0.00 61 M 9.05 3.85 0.00 1.96 2.13 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 2.59 2.62 0.00 62 A 7.56 4.01 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 63 N 8.25 4.61 0.00 2.89 2.92 0.00 0.00 7.05 8.53 0.00 0.00 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 D 8.68 4.38 0.00 2.74 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 65 K 8.13 4.03 0.00 1.97 1.90 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.51 7.81 66 L 8.50 4.02 0.00 1.80 1.88 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.35 3.99 0.00 2.06 2.04 0.00 3.16 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.29 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.45 4.17 0.00 3.39 3.66 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.44 4.06 0.00 4.04 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 71 I 7.90 3.73 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.12 1.15 0.00 0.00 72 V 7.81 3.74 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 1.06 0.00 0.00 1.03 0.00 0.00 73 L 8.09 3.80 0.00 1.71 1.77 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.08 4.20 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 75 Y 8.08 3.91 0.00 3.22 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 76 A 7.72 3.61 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.37 3.49 0.00 1.48 1.15 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.86 3.52 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 79 N 7.80 4.30 0.00 2.96 2.94 0.00 0.00 7.29 6.59 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 80 F 7.81 4.61 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.63 3.58 1.66 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.42 0.86 0.00 0.00 82 D 8.08 4.50 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.75 4.42 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 84 L 7.54 3.98 0.00 1.56 1.69 0.80 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.12 4.35 0.00 2.67 2.74 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 86 N 8.26 4.82 0.00 2.72 2.66 0.00 0.00 7.11 7.09 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 87 P 0.00 4.23 0.00 2.23 2.10 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 88 D 8.65 4.47 0.00 2.86 2.77 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 89 D 8.23 4.41 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 90 L 8.07 3.97 0.00 1.89 1.73 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.92 3.39 1.89 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 0.52 0.00 0.00 0.49 0.00 0.00 92 C 7.97 4.14 0.00 3.16 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 93 V 7.83 3.63 2.27 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 0.90 0.00 0.00 1.29 0.00 0.00 94 V 8.05 3.76 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 0.93 0.00 0.00 0.49 0.00 0.00 95 E 8.42 3.91 0.00 2.07 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 2.25 2.31 0.00 96 K 7.76 3.79 0.00 1.78 1.56 0.00 0.77 0.00 0.00 1.16 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.39 7.81 97 F 8.29 4.76 0.00 3.41 3.24 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 98 A 8.38 4.00 1.33 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 0.00 0.00 0.00 0.00 0.00 99 V 7.85 3.56 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 1.01 0.00 0.00 0.97 0.00 0.00 100 N 8.13 4.36 0.00 3.09 2.88 0.00 0.00 6.98 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 7.96 4.68 0.00 3.39 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.18 3.74 2.00 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 1.56 0.71 0.91 0.00 0.00 103 T 7.85 3.89 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 1.23 0.00 0.00 104 R 7.25 4.23 0.00 1.97 1.81 0.00 3.33 0.00 0.00 3.43 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 105 K 7.76 3.80 0.00 1.97 1.96 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.58 7.81 106 I 7.60 4.02 1.98 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.96 0.00 0.00 107 S 8.39 4.52 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.46 3.96 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 0.00 109 A 7.92 3.98 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 0.00 110 E 8.41 4.15 0.00 2.11 2.11 0.00 0.00 0.00 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 2.42 0.00 111 F 8.76 4.18 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.93 4.12 0.00 2.02 1.89 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.65 7.81 114 I 7.63 3.40 1.54 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.71 0.00 0.00 115 N 8.44 4.51 0.00 2.94 2.89 0.00 0.00 6.71 7.12 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 0.00 116 G 7.68 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.18 0.00 2.17 2.16 0.00 3.71 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 2.00 2.11 0.00 118 I 7.70 3.50 1.96 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 1.19 0.70 0.68 0.00 0.00 119 K 8.16 3.93 0.00 1.93 1.97 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 K 8.10 3.95 0.00 1.95 1.81 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.64 7.81 121 V 7.96 3.54 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 0.88 0.00 0.00 0.85 0.00 0.00 122 L 8.14 4.01 0.00 1.92 1.97 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.42 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.17 0.00 4.03 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 0.00 125 K 7.36 4.31 0.00 2.03 2.20 0.00 1.76 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 126 N 8.21 4.10 0.00 2.75 2.65 0.00 0.00 6.92 6.61 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 0.00 127 F 8.39 4.44 0.00 3.09 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 0.00 128 G 8.58 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.53 0.00 2.83 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 0.00 130 K 8.19 3.83 0.00 1.76 1.63 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.38 7.81 131 Y 8.15 4.17 0.00 3.48 3.27 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 0.00 132 A 8.39 4.22 1.47 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 0.00 0.00 0.00 133 N 8.83 4.39 0.00 2.97 2.89 0.00 0.00 6.87 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.08 3.95 1.29 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 0.00 135 W 8.59 3.91 0.00 3.59 3.34 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 0.00 136 A 8.41 4.10 1.46 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 0.00 0.00 137 K 7.76 3.92 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 138 L 7.65 3.93 0.00 1.44 1.69 0.60 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.23 3.77 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 1.19 0.00 0.00 1.16 0.00 0.00 140 A 8.22 4.39 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 0.00 141 V 7.32 3.41 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 0.59 0.00 0.00 0.82 0.00 0.00 142 V 7.44 3.48 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 0.37 0.00 0.00 0.80 0.00 0.00 143 Q 8.08 3.80 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 144 A 7.89 3.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.46 4.30 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 4.12 0.00 1.70 1.51 0.70 0.58 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