NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.4909 8.0385 120.6272 54.4213 43.8726 178.0051 23 A 3.8225 8.2581 123.8396 55.2028 18.0040 178.8928 24 D 4.2884 9.0232 118.1929 57.5539 41.2350 177.1300 25 S 4.1756 8.9096 115.9758 61.7593 62.9246 176.9158 26 K 3.9238 8.1807 120.5901 59.4963 31.7393 179.0582 27 A 4.0225 8.0719 121.0397 55.3426 18.3038 180.0918 28 V 3.6932 8.1122 117.5293 64.5601 31.6530 178.4970 29 L 4.2286 8.5210 120.3278 57.9410 41.5583 179.0245 30 N 4.3222 8.3317 116.8969 56.4654 38.7510 176.6951 31 Q 4.2592 8.6118 121.1636 59.3007 29.1076 178.1249 32 A 4.2191 8.7131 122.2111 55.2320 18.4605 179.5996 33 V 3.5836 8.0841 116.4538 66.2078 31.6255 178.1728 34 A 4.1606 8.2377 119.7446 55.4042 18.2885 179.3318 35 D 4.3691 8.4946 117.5847 57.6200 40.8748 178.9849 36 L 4.0880 8.7926 119.8978 58.0300 41.7191 179.8633 37 S 3.8879 7.9869 114.9943 61.4197 62.5354 176.9453 38 V 3.5864 7.9070 120.7246 65.8220 31.1978 177.7080 39 A 4.0085 8.6689 120.9585 55.5933 18.2855 178.9912 40 H 4.0138 8.5131 116.7921 59.5223 29.9224 177.3769 41 S 4.0796 7.9731 114.3357 61.5058 62.1660 176.1788 42 I 3.7050 8.0057 122.6680 64.3986 36.7331 178.4576 43 L 3.9478 8.2404 120.1621 57.8736 41.3783 179.0885 44 H 3.6239 7.8255 118.2502 58.7412 29.5861 176.9871 45 Q 4.2519 8.0548 121.4956 59.3010 29.0246 178.5662 46 V 3.6208 7.9623 119.2327 66.2651 31.3653 177.0323 47 H 4.0755 8.0841 116.8278 59.5562 29.6527 176.7633 48 W 4.7123 8.1051 118.8328 59.4762 28.8341 177.4430 49 Y 4.4801 8.6445 114.9797 56.9949 37.8733 175.3253 50 M 4.4369 7.6574 120.1100 56.3237 32.7975 175.6179 51 R 4.6597 8.9588 123.3957 55.3177 34.5947 173.5916 52 G 4.1130 8.9000 106.1346 43.1443 0.0000 173.3292 53 R 4.2699 8.3216 119.4800 57.2308 30.3504 177.3284 54 G 4.2682 9.7161 109.7578 45.3001 0.0000 175.0283 55 F 4.0790 8.7578 122.6601 62.0695 39.0388 176.9738 56 M 4.3147 8.2103 115.3310 57.9569 32.1764 177.1790 57 I 3.7827 7.5343 118.2275 63.0634 38.5377 177.4001 58 W 4.0678 8.2137 119.8778 59.2300 28.7141 178.0800 59 H 3.9018 8.0798 118.4766 58.7823 29.5883 175.3811 60 P 4.2458 0.0000 0.0000 65.2723 31.2263 178.0175 61 K 3.4763 7.4303 119.6608 59.6804 31.8859 178.4167 62 M 4.0262 8.0603 118.7712 58.4757 31.8125 178.4408 63 D 4.1437 7.6834 118.7507 57.3777 41.1065 178.6892 64 E 3.9030 7.8500 118.4029 59.6380 29.4766 178.8874 65 Y 4.5013 7.7798 116.7285 61.4820 37.9485 178.5333 66 M 4.1580 8.3740 119.8167 58.4649 32.0472 178.6792 67 E 3.9528 8.2260 118.7254 59.2619 29.6013 179.0801 68 E 3.6500 8.0631 119.0339 59.2268 29.7569 178.8233 69 I 3.7540 8.0945 120.2501 64.5990 37.1309 178.0886 70 D 4.4075 8.6141 120.1939 57.2327 40.6167 179.0965 71 G 3.4574 7.9513 106.1378 48.0517 0.0000 175.3535 72 Y 4.3570 7.3344 119.3224 60.6696 37.8329 178.4689 73 L 4.0464 8.0154 121.3697 58.1500 42.2018 178.5819 74 D 4.3030 8.3113 118.1689 57.1272 41.1931 177.8588 75 E 3.8913 8.2082 119.8912 59.5690 29.6844 178.7761 76 M 3.9110 8.4675 119.2120 58.1626 32.0357 178.5620 77 S 4.0956 8.0290 113.3589 61.4984 62.5056 175.7514 78 E 4.2403 8.1935 119.6464 57.7109 29.4131 178.8956 79 R 3.8310 7.9023 119.8891 59.0909 30.1482 177.9079 80 L 3.9155 7.8779 120.1567 58.3195 41.9977 178.9672 81 I 3.8570 7.7630 119.5635 64.8980 36.8280 178.5853 82 T 3.8622 7.3769 115.2347 66.3936 68.3600 175.9792 83 L 4.3059 7.7468 118.4277 55.2701 41.8379 177.7119 84 G 3.8988 8.2645 108.1805 45.2228 0.0000 173.8331 85 G 3.7912 8.0580 109.3264 43.8105 0.0000 173.6622 86 A 4.4910 7.9673 121.3046 48.9924 19.9042 174.0861 87 P 4.4175 0.0000 0.0000 63.1927 31.9798 176.7202 88 F 4.5147 8.5159 120.8167 58.9791 39.3039 176.5361 89 S 4.8067 8.8120 119.0136 56.9196 63.5612 174.5421 90 T 4.5002 6.8304 109.7676 59.8862 72.9512 173.6410 91 L 4.0071 8.1825 121.8753 57.5886 41.6980 179.6206 92 K 3.8136 7.7997 119.1436 59.5698 32.1359 178.2666 93 E 3.6760 7.6181 118.1213 59.4118 29.3625 179.2563 94 F 4.4330 7.4523 117.3997 61.0519 38.8319 177.9659 95 S 4.1608 8.2173 113.4063 61.8064 62.7222 176.4698 96 E 4.0740 8.0644 120.1444 58.9556 29.3001 178.3870 97 N 4.5005 7.9596 115.0688 53.5976 39.3896 175.8193 98 S 4.4972 7.5539 115.0052 58.3571 62.9421 173.7862 99 Q 4.2840 8.9216 124.8158 56.0883 28.9868 176.0432 100 L 4.1506 7.6225 119.1478 53.5471 42.6987 176.1237 101 K 4.5371 8.2608 121.3076 54.6587 34.1514 175.6651 102 E 4.6877 8.4883 122.0714 54.7134 31.8497 175.3134 103 V 4.5298 7.7071 113.1328 58.8992 35.5976 175.6076 104 L 4.0190 8.2512 121.0450 54.4239 41.9672 177.9341 105 G 2.4424 7.9738 111.1098 45.6974 0.0000 172.9598 106 D 4.2436 7.1035 120.4174 53.1105 43.0198 175.7493 107 Y 4.7590 8.5561 124.7397 60.2667 38.1209 177.0409 108 N 4.6169 8.6342 116.1929 54.3897 39.0211 175.7950 109 V 3.8250 7.2756 119.3298 62.8452 32.2147 176.4199 110 T 4.2891 8.7772 117.6751 61.1214 70.9027 175.9065 111 I 3.6457 8.2517 122.5679 64.5597 37.0662 177.8957 112 E 3.7836 8.2120 119.4998 59.6725 29.3392 178.7605 113 E 3.9045 8.1154 118.1810 59.3176 29.4707 179.3642 114 Q 3.9344 8.3834 118.4675 59.1107 28.7746 179.0135 115 L 3.7008 8.1237 120.0562 57.5485 41.5304 179.4667 116 A 3.8520 8.1747 121.1483 54.9744 18.2521 179.6952 117 R 3.7643 7.8976 117.4148 59.3667 30.0839 178.9945 118 V 3.2224 7.5362 118.1343 65.6747 31.5041 177.8286 119 V 3.4018 7.5492 118.2200 66.4290 31.2813 177.9660 120 E 4.1389 8.1137 117.8477 59.1175 29.1175 179.5264 121 V 3.6542 7.8398 118.4815 66.1758 31.6497 178.1928 122 F 4.4464 8.5381 117.9594 60.5452 38.7112 177.8821 123 R 3.9126 8.6573 118.1868 59.3797 29.8197 178.2701 124 Y 3.9512 8.0803 119.1527 60.7449 38.7014 178.2787 125 L 3.3304 8.2373 119.7054 57.4968 41.6577 179.1639 126 A 3.8128 8.1390 120.7382 55.3108 18.2735 179.6249 127 A 3.7963 7.7873 119.0011 55.0430 18.3323 179.6618 128 L 3.6607 7.4395 119.1862 58.1185 42.0419 179.2432 129 F 4.5011 8.0874 118.3128 60.2401 38.7921 177.5343 130 Q 3.9230 8.2085 119.5223 58.9972 28.8834 178.0885 131 K 3.9081 8.0257 120.7569 59.4067 32.1989 178.6905 132 G 2.2695 7.8344 106.2208 47.3493 0.0000 175.1001 133 F 4.0617 8.2527 123.8213 61.1569 39.3312 177.0352 134 D 4.3662 8.2126 118.3236 57.3165 40.6362 179.0004 135 V 3.5533 7.8473 119.0476 65.9562 31.6239 178.2542 136 S 4.1912 7.9910 115.4366 60.7448 62.8895 175.8386 137 D 4.0740 7.9518 121.6543 57.2167 40.7342 178.1067 138 E 3.9625 7.9218 117.4488 59.4271 29.6192 178.6219 139 E 4.2823 8.1575 115.4001 56.2175 29.7174 177.5701 140 G 3.8352 7.5366 106.8333 46.6378 0.0000 175.2022 141 D 4.6132 7.8152 121.8566 52.4984 38.8886 176.6116 142 S 4.0909 8.0062 119.5165 60.7186 63.3780 176.7673 143 V 3.5136 7.6547 121.3626 66.2607 31.4263 177.9425 144 T 3.7404 7.8436 115.3814 66.4728 68.2211 176.0060 145 N 4.5735 8.0639 120.3283 56.2672 38.9129 176.4227 146 D 4.3924 8.1369 119.3028 57.3035 41.3082 178.1676 147 I 3.5314 7.6039 120.3342 64.4643 36.9947 178.4738 148 F 3.9518 7.8711 118.5330 60.2375 38.6058 177.3325 149 N 4.3282 8.4384 116.8167 56.7600 38.9580 177.0757 150 V 3.5461 7.9499 119.4844 65.8830 31.5123 177.8187 151 A 3.5061 7.5432 121.6654 54.2224 17.9721 179.3524 152 K 3.9581 8.1820 118.1750 59.7007 32.3762 178.4986 153 A 3.9734 8.2192 121.2294 55.5016 18.2653 179.6448 154 S 4.1017 7.9709 110.8780 61.4454 62.5427 176.2525 155 I 3.6108 8.0507 122.7688 64.4845 36.8466 178.2452 156 E 4.0567 8.4709 119.5008 59.1707 29.2785 179.2464 157 K 4.2449 8.0727 119.3506 60.1226 32.2846 178.5368 158 H 4.4349 8.2829 116.3989 58.9453 28.5722 177.9244 159 I 3.8057 8.0511 121.6866 64.0258 36.9334 177.8787 160 W 4.4545 8.3616 129.2394 61.1435 30.4076 177.8631 161 M 3.3117 7.8042 118.0831 58.1156 31.3549 178.8395 162 L 3.9719 8.3713 119.4860 57.8958 41.7636 179.5594 163 Q 3.9721 8.5929 118.1710 58.8586 28.5785 178.7461 164 A 4.0291 8.3815 122.1633 55.1694 18.2130 178.9926 165 E 3.9505 8.1272 116.7519 59.6445 29.7555 178.5039 166 L 4.3054 7.6613 115.1144 54.7036 41.6359 177.4769 167 G 3.9340 8.1536 107.2008 46.0860 0.0000 173.5395 168 Q 4.6486 8.2524 116.8853 53.0380 32.2241 175.4788 169 A 4.3251 8.3793 122.5937 51.6541 19.1021 176.3540 170 P 4.3886 0.0000 0.0000 63.8472 31.9101 177.2511 171 K 3.8396 8.0610 115.4346 57.3278 29.4945 174.9801 172 L 4.1861 7.8532 121.6566 55.1835 41.5332 177.6837 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 22 L 8.04 4.49 0.00 1.72 1.74 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.26 3.82 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 24 D 9.02 4.29 0.00 3.05 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 25 S 8.91 4.18 0.00 3.96 3.98 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 0.00 0.00 0.00 26 K 8.18 3.92 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 27 A 8.07 4.02 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 28 V 8.11 3.69 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 1.04 0.00 0.00 0.81 0.00 0.00 29 L 8.52 4.23 0.00 1.90 1.80 0.94 0.21 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 30 N 8.33 4.32 0.00 2.82 2.55 0.00 0.00 6.87 5.99 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 31 Q 8.61 4.26 0.00 2.43 2.39 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 2.49 2.79 0.00 32 A 8.71 4.22 1.74 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 33 V 8.08 3.58 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.01 0.00 0.00 34 A 8.24 4.16 1.61 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 0.00 0.00 35 D 8.49 4.37 0.00 2.90 2.98 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 0.00 0.00 0.00 36 L 8.79 4.09 0.00 1.77 1.81 1.17 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.99 3.89 0.00 3.35 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.91 3.59 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 1.07 0.00 0.00 1.03 0.00 0.00 39 A 8.67 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.01 0.00 3.35 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.97 4.08 0.00 4.01 4.04 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 0.00 0.00 0.00 0.00 42 I 8.01 3.70 1.98 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 1.49 0.57 0.86 0.00 0.00 43 L 8.24 3.95 0.00 1.76 1.67 1.13 1.21 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 44 H 7.83 3.62 0.00 3.09 2.58 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.05 4.25 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 46 V 7.96 3.62 2.22 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 0.96 0.00 0.00 1.02 0.00 0.00 47 H 8.08 4.08 0.00 3.05 3.28 0.00 6.00 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 48 W 8.11 4.71 0.00 3.69 2.90 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 49 Y 8.64 4.48 0.00 3.20 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 50 M 7.66 4.44 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.95 0.00 51 R 8.96 4.66 0.00 1.88 1.78 0.00 3.30 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.99 0.00 52 G 8.90 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.32 4.27 0.00 1.87 1.96 0.00 3.39 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 G 9.72 4.27 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 0.00 55 F 8.76 4.08 0.00 3.36 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.21 4.31 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 57 I 7.53 3.78 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.39 0.53 0.00 0.00 58 W 8.21 4.07 0.00 3.46 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 59 H 8.08 3.90 0.00 1.67 2.61 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.25 0.00 2.16 2.21 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 61 K 7.43 3.48 0.00 1.50 1.82 0.00 1.05 0.00 0.00 1.06 0.00 0.00 2.65 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.90 0.80 7.81 62 M 8.06 4.03 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 3.02 0.00 63 D 7.68 4.14 0.00 2.78 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 64 E 7.85 3.90 0.00 1.85 1.90 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 2.29 2.23 0.00 65 Y 7.78 4.50 0.00 3.24 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 66 M 8.37 4.16 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.41 0.00 67 E 8.23 3.95 0.00 2.10 1.94 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 2.44 2.41 0.00 68 E 8.06 3.65 0.00 2.04 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 1.86 1.97 0.00 69 I 8.09 3.75 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.12 1.01 0.00 0.00 70 D 8.61 4.41 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 72 Y 7.33 4.36 0.00 3.20 2.83 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 73 L 8.02 4.05 0.00 1.84 1.82 0.91 0.83 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 74 D 8.31 4.30 0.00 2.82 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 75 E 8.21 3.89 0.00 2.11 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 0.00 2.20 2.29 0.00 76 M 8.47 3.91 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.00 0.00 77 S 8.03 4.10 0.00 3.99 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 78 E 8.19 4.24 0.00 2.12 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 2.37 0.00 79 R 7.90 3.83 0.00 1.92 1.97 0.00 3.10 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 80 L 7.88 3.92 0.00 1.79 1.85 0.92 0.86 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 81 I 7.76 3.86 1.86 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 1.52 0.73 0.90 0.00 0.00 82 T 7.38 3.86 4.42 0.00 0.00 0.00 0.00 0.00 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 83 L 7.75 4.31 0.00 1.76 1.70 0.97 0.88 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 84 G 8.26 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 0.00 0.00 0.00 85 G 8.06 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 0.00 0.00 0.00 86 A 7.97 4.49 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.42 0.00 2.27 2.09 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 88 F 8.52 4.51 0.00 3.34 3.04 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 0.00 0.00 0.00 0.00 89 S 8.81 4.81 0.00 4.01 3.97 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 0.00 0.00 0.00 90 T 6.83 4.50 4.08 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 0.00 0.00 0.00 1.13 0.00 0.00 91 L 8.18 4.01 0.00 1.71 1.82 1.00 1.02 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 92 K 7.80 3.81 0.00 1.75 1.70 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 93 E 7.62 3.68 0.00 1.88 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 94 F 7.45 4.43 0.00 3.23 2.99 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 95 S 8.22 4.16 0.00 3.81 3.93 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 0.00 0.00 0.00 96 E 8.06 4.07 0.00 1.92 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 2.30 2.38 0.00 97 N 7.96 4.50 0.00 2.24 2.71 0.00 0.00 6.99 7.70 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 98 S 7.55 4.50 0.00 4.08 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 99 Q 8.92 4.28 0.00 1.79 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 100 L 7.62 4.15 0.00 1.48 1.44 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.26 4.54 0.00 1.63 1.65 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.44 7.81 102 E 8.49 4.69 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 103 V 7.71 4.53 2.01 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 0.70 0.00 0.00 0.85 0.00 0.00 104 L 8.25 4.02 0.00 1.54 1.49 0.90 0.85 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 0.00 105 G 7.97 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 0.00 0.00 0.00 106 D 7.10 4.24 0.00 2.47 2.36 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 0.00 107 Y 8.56 4.76 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.63 4.62 0.00 2.92 2.91 0.00 0.00 6.92 8.07 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 0.00 109 V 7.28 3.83 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 0.76 0.00 0.00 0.90 0.00 0.00 110 T 8.78 4.29 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 0.00 111 I 8.25 3.65 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.15 0.82 0.00 0.00 112 E 8.21 3.78 0.00 1.98 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 2.32 2.37 0.00 113 E 8.12 3.90 0.00 2.20 1.94 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 2.30 2.32 0.00 114 Q 8.38 3.93 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 115 L 8.12 3.70 0.00 1.45 1.26 -0.35 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.17 3.85 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 0.00 117 R 7.90 3.76 0.00 1.91 2.03 0.00 3.04 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 118 V 7.54 3.22 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 -0.04 0.00 0.00 0.80 0.00 0.00 119 V 7.55 3.40 2.13 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 0.83 0.00 0.00 0.84 0.00 0.00 120 E 8.11 4.14 0.00 1.99 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 2.44 2.43 0.00 121 V 7.84 3.65 2.18 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 1.29 0.00 0.00 0.96 0.00 0.00 122 F 8.54 4.45 0.00 3.06 3.02 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 0.00 123 R 8.66 3.91 0.00 1.98 2.00 0.00 3.39 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 124 Y 8.08 3.95 0.00 3.11 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 0.00 125 L 8.24 3.33 0.00 1.56 0.84 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.14 3.81 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 3.80 1.21 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 0.00 0.00 0.00 128 L 7.44 3.66 0.00 1.09 1.23 0.90 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.09 4.50 0.00 3.13 3.22 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 0.00 130 Q 8.21 3.92 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 131 K 8.03 3.91 0.00 1.82 1.82 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 132 G 7.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.25 4.06 0.00 3.25 3.23 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 0.00 0.00 0.00 0.00 134 D 8.21 4.37 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.55 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 1.06 0.00 0.00 0.89 0.00 0.00 136 S 7.99 4.19 0.00 4.30 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 0.00 137 D 7.95 4.07 0.00 2.39 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 0.00 138 E 7.92 3.96 0.00 2.09 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 2.33 2.61 0.00 139 E 8.16 4.28 0.00 1.92 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 2.32 2.53 0.00 140 G 7.54 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 0.00 141 D 7.82 4.61 0.00 2.71 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 0.00 142 S 8.01 4.09 0.00 4.05 4.07 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 0.00 143 V 7.65 3.51 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.84 3.74 4.43 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 1.36 0.00 0.00 145 N 8.06 4.57 0.00 2.74 2.92 0.00 0.00 6.49 8.65 0.00 0.00 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 D 8.14 4.39 0.00 2.85 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 0.00 147 I 7.60 3.53 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.47 0.00 0.00 148 F 7.87 3.95 0.00 3.39 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 0.00 149 N 8.44 4.33 0.00 3.30 3.02 0.00 0.00 6.83 7.79 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 0.00 150 V 7.95 3.55 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 0.99 0.00 0.00 0.99 0.00 0.00 151 A 7.54 3.51 -0.01 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 0.00 152 K 8.18 3.96 0.00 2.09 2.01 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 153 A 8.22 3.97 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 0.00 154 S 7.97 4.10 0.00 4.02 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 0.00 155 I 8.05 3.61 1.89 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.06 0.77 0.00 0.00 156 E 8.47 4.06 0.00 2.17 2.05 0.00 0.00 0.00 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 2.54 0.00 157 K 8.07 4.24 0.00 2.09 2.03 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.73 1.89 7.81 158 H 8.28 4.43 0.00 3.53 3.47 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.05 3.81 2.16 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 1.00 0.00 0.00 160 W 8.36 4.45 0.00 3.43 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 7.80 3.31 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.08 0.00 162 L 8.37 3.97 0.00 1.69 1.57 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.59 3.97 0.00 2.32 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 164 A 8.38 4.03 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 0.00 165 E 8.13 3.95 0.00 2.17 2.16 0.00 0.00 0.00 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 2.41 0.00 166 L 7.66 4.31 0.00 1.77 1.64 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 167 G 8.15 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.25 4.65 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 169 A 8.38 4.33 1.28 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 0.00 170 P 0.00 4.39 0.00 2.13 2.29 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.40 0.00 171 K 8.06 3.84 0.00 1.90 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.60 7.81 172 L 7.85 4.19 0.00 1.63 1.58 0.94 0.95 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