NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4130 8.2893 120.3486 55.3463 33.0463 174.7048 2 N 4.6381 8.5934 124.1542 51.4784 38.8603 173.0199 3 I 4.5886 8.8329 121.4493 59.5465 41.8018 176.2373 4 I 4.3881 8.3344 124.0010 59.5830 38.6246 175.1341 5 K 4.4646 8.6245 124.7699 54.3976 34.1635 176.0878 6 A 4.5913 8.3914 126.2317 50.7441 21.1792 175.0775 7 N 5.0363 8.1927 116.8721 51.9768 41.7085 175.6827 8 V 3.9398 8.0956 113.9913 62.4720 32.3753 176.2758 9 A 4.2328 8.1470 123.6993 52.0498 18.7369 178.0773 10 A 4.6460 8.3754 122.9047 51.2356 21.4166 174.0607 11 P 4.7882 0.0000 0.0000 64.8049 32.1915 178.8080 12 D 4.7650 8.0580 115.7807 54.2402 40.5769 175.8621 13 A 4.5910 7.5895 124.9459 51.9550 20.0768 178.3206 14 R 4.8194 9.4729 120.5510 55.1271 32.7358 175.9496 15 V 4.9690 8.8596 124.2823 59.9956 34.8773 173.9830 16 A 4.9282 8.4930 127.9164 50.0348 21.6959 175.0988 17 I 4.8009 8.6065 123.6560 59.5373 39.5509 174.6787 18 T 4.7618 8.7017 117.7805 59.9520 70.8378 173.3768 19 I 5.1776 8.3454 126.3399 58.2208 40.7087 174.3938 20 A 5.6384 8.6343 127.2825 50.4876 19.3726 177.9303 21 R 4.4452 9.0809 119.0158 58.5430 30.3630 176.8703 22 F 4.6036 8.2176 121.1635 59.9796 39.6907 174.3772 23 N 4.6728 9.8747 123.7594 54.4349 35.5879 176.0291 24 Q 4.2325 8.3420 120.4290 59.5150 28.0290 178.1166 25 F 3.6915 8.5117 121.4388 61.0294 39.4045 176.3427 26 I 4.2391 8.3627 118.8921 63.6469 37.6806 177.7114 27 N 4.3666 8.2795 116.6336 56.3047 38.2691 176.9265 28 D 4.5692 8.8751 121.1880 57.6505 41.0132 178.8332 29 S 4.0665 7.9700 112.9562 61.0514 62.3896 175.4218 30 L 4.0631 7.7976 123.2513 58.5171 41.6673 178.5021 31 L 3.8563 8.3089 120.4624 57.8337 42.0629 178.3983 32 D 4.5158 8.4306 118.7200 57.4994 40.8808 179.7072 33 G 3.5890 8.1996 105.5667 47.7727 0.0000 175.3631 34 A 3.9330 7.8740 123.4052 54.6232 18.4909 179.3549 35 V 3.4669 7.9970 116.9425 66.3095 31.5741 177.3351 36 D 4.3057 8.1157 117.1477 57.7387 40.9309 177.7203 37 A 3.9152 8.2684 120.9537 55.9111 18.3934 179.0147 38 L 3.8771 8.4693 116.4833 59.2973 41.8341 179.7976 39 T 4.1708 8.3222 110.8676 64.1152 68.5365 176.1754 40 R 3.8581 8.2139 123.5042 58.2278 30.3675 178.3974 41 I 4.2361 7.8476 118.1822 63.4515 38.1481 177.7400 42 G 3.8512 7.8311 103.6615 43.9858 0.0000 173.8519 43 Q 3.7310 8.0315 120.9078 56.5627 28.0739 172.7708 44 V 3.9471 7.5016 116.6504 61.8530 32.1555 175.2256 45 K 4.2742 8.5872 128.9719 56.3008 32.5323 176.6619 46 D 4.6670 8.8141 124.1678 54.0542 39.0468 176.2205 47 D 4.7857 7.9771 117.3030 53.7960 40.2937 176.3292 48 N 4.7092 8.4847 117.8170 53.6530 39.3101 174.0712 49 I 4.9702 7.5828 120.2573 60.2092 38.4313 175.1920 50 T 4.7352 8.8280 117.2173 59.7169 71.9906 173.0252 51 V 4.6327 8.3949 123.2710 61.0680 34.3190 174.5110 52 V 4.3190 8.9052 128.3829 60.8121 33.7648 174.4616 53 W 4.8897 8.9936 129.0506 56.4818 29.6066 176.4589 54 V 4.3405 8.6449 119.1172 59.0323 33.6434 174.5885 55 P 4.3185 0.0000 0.0000 65.0807 31.2397 177.2896 56 G 4.4768 7.9632 108.1333 42.9546 0.0000 174.0240 57 A 4.0667 8.4681 120.2843 54.7195 18.1060 179.1867 58 Y 4.1915 8.1606 117.1013 60.5860 39.2490 177.3029 59 E 4.1407 8.2002 119.0133 57.8750 29.6557 178.5617 60 L 3.8826 7.5415 119.6884 58.1481 41.6095 177.0211 61 P 4.1733 0.0000 0.0000 64.7701 31.1270 178.0019 62 L 3.8894 7.7007 117.9535 58.4751 42.3629 179.4191 63 A 3.9803 7.8031 120.0234 55.5521 18.3226 179.8197 64 T 3.8332 8.1234 108.4317 64.4976 68.5772 176.1870 65 E 3.8449 8.7989 122.2810 59.2179 29.9262 178.0652 66 A 4.1729 8.0024 120.5494 55.5815 18.1760 179.5537 67 L 4.0832 7.5681 114.7937 57.9623 42.0037 179.5203 68 A 4.2120 8.4295 120.9858 55.2084 18.1882 179.8215 69 K 3.9263 8.0108 115.3080 59.6390 32.1797 178.8227 70 S 4.1986 8.1013 112.8964 59.4618 61.7442 175.8883 71 G 3.9635 8.5351 110.6626 46.3102 0.0000 176.1364 72 K 3.9230 7.7400 120.4543 56.3336 31.8565 182.2069 73 Y 5.0946 6.9558 114.0335 56.8088 40.6416 175.4777 74 D 4.7273 9.0829 121.9901 55.8132 41.8138 176.4676 75 A 4.5397 7.3436 117.5045 51.2250 22.4604 175.0807 76 V 4.7546 8.2468 120.3020 61.0391 34.5378 174.4774 77 V 4.3803 8.7073 128.2376 61.4978 33.3556 174.1473 78 A 4.9803 8.5861 130.0967 49.6649 20.8808 175.2168 79 L 5.4539 7.8711 123.2145 52.6320 44.5186 176.3992 80 G 4.2012 7.7167 108.6298 45.9930 0.0000 171.8247 81 T 5.0944 8.5146 115.8616 61.5206 72.1424 174.3751 82 V 4.2279 9.0837 124.9462 61.3694 34.1783 173.8945 83 I 4.7502 8.2033 128.7850 59.5427 38.6971 175.9801 84 R 3.6412 8.4283 127.8919 56.5771 30.2410 176.3333 85 G 4.4157 8.3593 116.3701 44.3544 0.0000 173.0193 86 G 3.6385 8.7911 107.7670 47.5017 0.0000 173.2906 87 T 4.5271 7.5997 108.3620 59.7160 71.4851 173.4804 88 A 4.4840 8.3687 121.2666 52.7565 18.7561 178.6852 89 H 4.2731 8.3710 120.2131 60.3315 29.8874 176.9174 90 F 3.9937 8.4758 122.0154 61.6011 39.0284 176.6979 91 E 3.5992 8.0011 118.4328 59.4793 29.3719 178.3258 92 Y 4.3182 7.3828 115.8807 60.7009 38.2993 177.4961 93 V 3.6668 7.7196 119.3889 65.9247 31.6162 177.8491 94 A 4.0894 7.8760 120.3172 55.1390 18.0718 179.6190 95 G 3.6180 8.0589 104.7886 47.7230 0.0000 176.0696 96 G 3.8492 8.6226 108.3057 45.8940 0.0000 174.7970 97 A 4.2610 7.8427 122.5591 54.3607 19.6401 179.2073 98 S 4.1412 8.2000 111.7081 61.7838 62.3699 176.2346 99 N 4.4276 8.5537 119.5527 55.9567 38.3454 177.4098 100 G 3.7295 7.7011 106.3831 48.0470 0.0000 175.4894 101 L 3.9957 8.0049 121.7015 57.2778 41.8439 179.5627 102 A 3.9880 7.9986 120.5947 55.0932 18.2371 179.6234 103 S 3.9528 8.3258 111.7816 61.5208 62.4770 176.1627 104 V 3.5496 7.7750 120.7252 66.2428 31.1449 177.6963 105 A 4.3367 7.8389 121.2895 54.8075 18.0042 179.4174 106 Q 3.9114 7.6939 116.4355 59.2261 29.1420 177.8472 107 D 4.5266 8.0717 119.4177 57.0020 41.2482 178.4408 108 S 4.3618 8.3090 112.7405 58.5826 63.5031 175.6060 109 G 3.8944 8.0820 109.4274 45.8086 0.0000 173.8320 110 V 3.9349 7.4947 121.1452 61.7221 32.9599 173.6101 111 P 4.5330 0.0000 0.0000 62.6418 32.5052 175.1767 112 V 4.8601 8.3959 123.4439 61.0235 34.1195 174.2028 113 A 4.4746 8.9017 130.3109 50.8480 20.5138 176.3342 114 F 4.7705 8.9902 126.7391 56.2679 38.1578 175.8534 115 G 3.9374 8.1308 117.9907 44.9042 0.0000 170.9955 116 V 4.5935 6.1035 117.4513 60.6040 33.9828 176.0509 117 L 4.2743 8.7741 129.4644 55.0902 42.7922 176.6458 118 T 5.2623 8.4753 112.7188 59.9249 68.8195 172.5596 119 T 4.5945 8.6942 121.1854 61.0455 71.9677 175.2692 120 E 4.1285 9.7969 120.6604 57.3529 30.4985 177.2370 121 S 4.6967 7.5652 111.9405 55.6194 67.5749 174.8212 122 I 3.6774 8.2249 123.1725 64.2711 36.6025 177.9945 123 E 3.9051 8.1831 119.0217 59.7748 29.5237 178.6637 124 Q 4.2909 8.1190 117.4789 58.7838 28.7183 178.5765 125 A 4.0077 7.8023 121.9839 55.3805 18.3354 179.7356 126 I 3.7565 7.8492 118.2482 64.6434 37.1280 178.5529 127 E 4.5368 8.0070 120.5849 58.1153 29.2618 178.4403 128 R 4.5330 7.9602 115.7798 55.7020 30.5290 176.7291 129 A 4.8248 7.2118 121.9126 52.6792 19.4859 177.0855 130 G 4.4633 7.9890 107.9849 48.1890 0.0000 175.4757 131 T 4.6378 7.5109 115.4440 60.1324 68.7490 175.7000 132 K 3.7852 9.2526 117.0695 59.2952 31.7479 177.7792 133 A 4.5870 7.8214 119.4498 51.9935 20.0546 178.8238 134 G 3.7356 8.0785 110.6895 47.3426 0.0000 173.9086 135 N 5.2934 8.2434 117.9477 50.9379 40.9803 175.6221 136 K 4.0200 8.9611 128.9538 59.0150 32.0502 179.0508 137 G 4.0772 8.3302 107.6240 47.3230 0.0000 175.5678 138 A 4.0296 7.8785 123.2859 54.3578 18.4813 179.2345 139 E 3.8419 8.5053 117.9555 59.3538 29.7572 178.9336 140 A 4.0662 8.5918 122.3157 54.3661 18.4295 179.3484 141 A 3.9173 8.2032 119.5518 55.3233 18.3769 179.8837 142 L 3.9084 8.0848 117.6707 58.2583 41.4872 179.9409 143 T 3.8418 8.0267 109.3538 64.6773 68.4859 175.9605 144 A 4.0098 8.0170 123.7408 55.0499 18.3070 179.0645 145 L 3.8662 7.8979 116.5891 58.2268 41.8231 179.3325 146 E 4.1780 8.4038 120.2673 59.1471 29.4255 179.0347 147 M 4.0727 8.0483 118.2726 58.2664 31.9253 178.4674 148 I 3.6948 7.6999 120.0214 64.7443 37.2790 178.1730 149 N 4.3120 7.9350 116.6110 56.3063 38.1919 177.4545 150 V 3.5854 7.8798 118.7726 66.2664 31.6966 177.8350 151 L 4.0745 8.3762 118.7947 57.7006 41.3693 179.1531 152 K 3.8110 8.2550 118.9791 59.5152 32.0593 176.8767 153 A 4.5066 8.1347 120.2944 51.7164 19.5132 177.2180 154 I 3.9239 7.9484 121.1140 63.1313 37.6796 174.0706 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.64 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.83 4.59 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.39 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 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.46 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.59 1.25 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 0.00 0.00 0.00 7 N 8.19 5.04 0.00 2.74 2.65 0.00 0.00 6.86 7.71 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 8 V 8.10 3.94 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.15 4.23 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 10 A 8.38 4.65 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 11 P 0.00 4.79 0.00 2.23 2.38 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 2.07 1.94 0.00 12 D 8.06 4.76 0.00 2.69 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 13 A 7.59 4.59 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 14 R 9.47 4.82 0.00 1.41 1.78 0.00 3.22 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.86 4.97 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 0.93 0.00 0.00 0.95 0.00 0.00 16 A 8.49 4.93 0.31 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 17 I 8.61 4.80 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.69 0.00 0.00 18 T 8.70 4.76 4.13 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 1.09 0.00 0.00 19 I 8.35 5.18 0.71 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 0.79 -0.15 0.33 0.00 0.00 20 A 8.63 5.64 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 21 R 9.08 4.45 0.00 2.10 2.54 0.00 3.07 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.69 0.00 22 F 8.22 4.60 0.00 3.14 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 23 N 9.87 4.67 0.00 2.97 2.99 0.00 0.00 6.88 7.74 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 24 Q 8.34 4.23 0.00 2.52 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 3.69 0.00 3.14 3.19 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 26 I 8.36 4.24 2.11 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 1.67 0.82 0.95 0.00 0.00 27 N 8.28 4.37 0.00 2.87 2.92 0.00 0.00 7.08 8.08 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 28 D 8.88 4.57 0.00 2.66 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 29 S 7.97 4.07 0.00 3.82 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 30 L 7.80 4.06 0.00 1.92 1.63 0.96 0.56 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 31 L 8.31 3.86 0.00 1.79 1.82 0.77 1.05 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 32 D 8.43 4.52 0.00 2.86 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 33 G 8.20 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 34 A 7.87 3.93 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 35 V 8.00 3.47 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 0.98 0.00 0.00 0.97 0.00 0.00 36 D 8.12 4.31 0.00 2.83 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 37 A 8.27 3.92 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 38 L 8.47 3.88 0.00 1.88 1.72 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.32 4.17 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 1.28 0.00 0.00 40 R 8.21 3.86 0.00 1.84 2.25 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 41 I 7.85 4.24 2.08 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 1.45 0.97 0.91 0.00 0.00 42 G 7.83 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 43 Q 8.03 3.73 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.50 3.95 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 0.88 0.00 0.00 1.04 0.00 0.00 45 K 8.59 4.27 0.00 1.80 1.68 0.00 1.93 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.67 0.00 2.83 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 47 D 7.98 4.79 0.00 2.79 2.81 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 48 N 8.48 4.71 0.00 2.89 3.00 0.00 0.00 6.89 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 49 I 7.58 4.97 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.83 4.74 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 1.51 0.00 0.00 51 V 8.39 4.63 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 0.51 0.00 0.00 0.84 0.00 0.00 52 V 8.91 4.32 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.89 0.00 3.21 3.21 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 54 V 8.64 4.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.09 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.96 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 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 58 Y 8.16 4.19 0.00 2.93 3.09 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 59 E 8.20 4.14 0.00 2.02 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 2.61 2.58 0.00 60 L 7.54 3.88 0.00 1.72 1.70 0.89 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.03 1.95 0.00 3.66 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 2.06 2.09 0.00 62 L 7.70 3.89 0.00 1.63 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.80 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 64 T 8.12 3.83 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 1.22 0.00 0.00 65 E 8.80 3.84 0.00 1.91 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 0.00 2.33 2.34 0.00 66 A 8.00 4.17 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 67 L 7.57 4.08 0.00 1.77 1.66 0.62 0.76 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 68 A 8.43 4.21 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 69 K 8.01 3.93 0.00 1.88 1.91 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.45 7.81 70 S 8.10 4.20 0.00 3.92 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 0.00 71 G 8.54 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 0.00 0.00 0.00 72 K 7.74 3.92 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.96 5.09 0.00 3.12 2.95 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 74 D 9.08 4.73 0.00 2.56 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 75 A 7.34 4.54 1.20 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 0.00 0.00 0.00 76 V 8.25 4.75 2.03 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 0.98 0.00 0.00 0.85 0.00 0.00 77 V 8.71 4.38 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.59 4.98 1.18 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 79 L 7.87 5.45 0.00 1.38 1.39 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.72 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 0.00 0.00 0.00 0.00 81 T 8.51 5.09 4.31 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 1.19 0.00 0.00 82 V 9.08 4.23 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 0.93 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.75 1.85 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 1.24 0.69 0.87 0.00 0.00 84 R 8.43 3.64 0.00 0.67 1.39 0.00 3.08 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 85 G 8.36 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 0.00 0.00 0.00 0.00 86 G 8.79 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.60 4.53 4.31 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 1.25 0.00 0.00 88 A 8.37 4.48 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 89 H 8.37 4.27 0.00 3.27 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 3.99 0.00 3.10 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 91 E 8.00 3.60 0.00 1.94 1.12 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 0.00 2.00 2.17 0.00 92 Y 7.38 4.32 0.00 2.99 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 93 V 7.72 3.67 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 1.05 0.00 0.00 0.76 0.00 0.00 94 A 7.88 4.09 0.95 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 95 G 8.06 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 96 G 8.62 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 97 A 7.84 4.26 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 98 S 8.20 4.14 0.00 3.70 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 99 N 8.55 4.43 0.00 2.79 2.83 0.00 0.00 6.94 8.08 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 0.00 100 G 7.70 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 0.00 0.00 0.00 101 L 8.00 4.00 0.00 1.88 1.81 1.04 0.94 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 0.00 102 A 8.00 3.99 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 0.00 103 S 8.33 3.95 0.00 3.96 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 0.00 104 V 7.78 3.55 2.23 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 1.06 0.00 0.00 0.98 0.00 0.00 105 A 7.84 4.34 1.42 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 0.00 0.00 0.00 106 Q 7.69 3.91 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.07 4.53 0.00 2.69 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 0.00 108 S 8.31 4.36 0.00 4.03 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 0.00 109 G 8.08 3.89 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 0.00 0.00 0.00 110 V 7.49 3.93 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 0.96 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.53 0.00 2.12 1.96 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.40 4.86 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 0.86 0.00 0.00 0.93 0.00 0.00 113 A 8.90 4.47 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.99 4.77 0.00 3.01 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 0.00 115 G 8.13 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 0.00 116 V 6.10 4.59 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 0.67 0.00 0.00 -0.13 0.00 0.00 117 L 8.77 4.27 0.00 1.62 1.58 0.92 0.51 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 0.00 118 T 8.48 5.26 4.46 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 1.26 0.00 0.00 119 T 8.69 4.59 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 1.26 0.00 0.00 120 E 9.80 4.13 0.00 1.96 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 2.30 2.30 0.00 121 S 7.57 4.70 0.00 3.95 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 0.00 122 I 8.22 3.68 1.84 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 1.47 0.38 0.86 0.00 0.00 123 E 8.18 3.91 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.12 4.29 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 125 A 7.80 4.01 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 0.00 126 I 7.85 3.76 2.00 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 1.87 0.96 0.99 0.00 0.00 127 E 8.01 4.54 0.00 2.21 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 0.00 2.34 2.40 0.00 128 R 7.96 4.53 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.82 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 0.00 130 G 7.99 4.46 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 0.00 131 T 7.51 4.64 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 1.27 0.00 0.00 132 K 9.25 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.59 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 0.00 134 G 8.08 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 0.00 135 N 8.24 5.29 0.00 2.70 2.65 0.00 0.00 6.94 7.24 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 0.00 136 K 8.96 4.02 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.33 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 0.00 0.00 0.00 0.00 138 A 7.88 4.03 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 0.00 139 E 8.51 3.84 0.00 2.03 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 2.31 2.33 0.00 140 A 8.59 4.07 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 0.00 141 A 8.20 3.92 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 0.00 142 L 8.08 3.91 0.00 1.99 1.72 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.03 3.84 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 1.27 0.00 0.00 144 A 8.02 4.01 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 0.00 145 L 7.90 3.87 0.00 1.87 1.90 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.40 4.18 0.00 2.01 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 2.24 0.00 147 M 8.05 4.07 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 148 I 7.70 3.69 2.05 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 1.69 0.86 0.92 0.00 0.00 149 N 7.93 4.31 0.00 2.92 2.86 0.00 0.00 6.72 8.95 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 0.00 150 V 7.88 3.59 2.24 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.38 4.07 0.00 1.94 1.69 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.25 3.81 0.00 1.82 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.13 4.51 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 0.00 154 I 7.95 3.92 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 1.16 0.73 0.91 0.00 0.00