NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2153 8.4445 119.1125 54.0866 28.6973 174.8144 4 L 3.9026 8.4276 123.7939 53.3439 41.2520 173.6621 5 T 4.0554 8.8497 119.9880 60.5111 68.8922 174.1325 6 E 3.8537 8.9829 126.8508 59.9529 28.8256 178.9116 7 E 3.9803 8.2561 120.3115 58.8724 29.3861 178.2187 8 Q 3.9924 7.8895 115.9517 57.3690 29.1336 176.8568 9 I 3.9179 8.5935 120.4315 64.1434 38.1293 177.3244 10 A 4.0068 8.0310 120.9363 55.6583 17.8192 179.4803 11 E 4.0786 8.0184 116.4604 59.6597 29.6918 179.1265 12 F 4.8031 8.8456 116.8864 59.1524 38.9814 177.2979 13 K 4.4498 7.9968 118.1154 58.6990 32.7149 178.2635 14 E 4.2988 8.5733 117.2149 58.5710 29.1650 178.2491 15 A 4.6966 7.8942 120.3653 53.5576 20.2398 178.3420 16 F 3.6245 8.0895 119.1351 61.6739 39.3793 177.6793 17 S 4.1066 9.0385 114.9037 61.4376 62.5770 176.1704 18 L 4.0860 7.3940 121.4119 57.1808 41.7044 177.4666 19 F 4.4927 7.4203 114.4606 57.3242 39.5613 175.8863 20 D 4.4096 8.0739 124.4062 51.8022 39.4174 176.2383 21 K 3.7253 8.1376 124.7657 59.1074 33.1869 177.6102 22 D 4.5382 8.5565 118.2871 58.9002 38.8306 178.6219 23 G 3.8376 7.4305 101.1618 47.7279 0.0000 175.6735 24 D 4.3119 8.2816 120.2155 53.2308 39.5129 175.7135 25 G 4.0682 7.2391 108.1643 45.0538 0.0000 172.7248 26 T 5.3724 8.1915 109.8709 59.7046 72.6010 173.0264 27 I 4.8351 8.6182 115.0446 59.1112 41.2548 175.3974 28 T 4.5978 9.8555 115.7416 61.5664 69.7102 175.6006 29 T 3.8098 8.3694 117.6349 66.6937 68.3897 176.6683 30 K 3.7953 8.0543 119.6610 59.7780 32.1361 178.6755 31 E 3.8515 7.9533 118.3037 59.5454 29.4233 179.0657 32 L 3.8873 8.0575 120.4770 58.2357 41.9899 179.2871 33 G 3.5575 7.9006 105.3497 48.2299 0.0000 175.8661 34 T 3.7295 7.6979 118.4641 66.0820 68.1917 176.9874 35 V 2.7951 7.6755 119.5896 66.2346 31.6588 177.6498 36 M 4.0584 7.8734 118.5145 57.9960 31.8597 178.4894 37 R 4.7324 8.4048 119.4771 59.0393 30.2045 179.2034 38 S 4.1964 7.5369 112.4928 61.3119 62.9391 175.8254 39 L 4.3281 7.9077 120.0602 54.0545 42.7855 175.8786 40 G 3.5749 8.7233 108.6557 44.0561 0.0000 172.6545 41 Q 4.5401 7.3833 121.4271 56.7757 32.8139 173.6909 42 N 5.1227 8.4204 114.7825 50.8364 38.1187 172.2634 43 P 4.2594 0.0000 0.0000 63.6425 32.2771 177.2893 44 T 3.9406 8.1638 109.8850 61.9701 68.9512 174.9548 45 E 4.0283 8.8433 121.1994 57.9957 29.3691 177.5128 46 A 4.5612 8.4278 121.3873 52.5228 21.4357 177.9646 47 E 4.0870 9.6519 116.1173 58.0644 29.9074 178.0791 48 L 4.1487 7.8342 118.9565 57.2287 42.5236 177.5478 49 Q 4.4174 7.6819 116.0795 57.1050 29.0044 177.4000 50 D 4.3447 7.4599 119.1108 57.6276 40.6256 178.2704 51 M 4.2155 7.9334 118.6306 58.3492 31.9897 178.5754 52 I 3.7742 7.6575 118.3143 64.0438 38.1966 177.0804 53 N 4.3776 8.7958 117.0948 55.6450 38.8309 175.4802 54 E 4.2396 7.5961 118.0084 57.3534 30.8499 176.1696 55 V 4.5540 7.6499 111.1499 61.2938 32.1696 178.2142 56 D 4.6832 7.7364 120.7106 54.0281 38.9981 176.9444 57 A 4.7379 7.9745 121.9294 51.5511 20.7701 175.4724 58 D 5.1582 7.7382 119.9519 53.8512 44.1022 177.7474 59 G 3.7501 8.6811 107.2859 46.8645 0.0000 172.4202 60 N 4.4495 8.1893 119.7275 50.8196 35.2348 172.3723 61 G 3.3673 7.3285 112.1106 44.7832 0.0000 170.6423 62 T 5.4428 7.6684 109.6844 59.2304 71.9521 172.9731 63 I 4.7895 8.2229 116.6391 59.4028 41.1788 175.2184 64 D 5.0550 8.4229 124.4939 52.7828 41.7497 175.3145 65 F 3.0847 8.8756 115.5408 60.3078 39.2346 175.8773 66 P 4.5468 0.0000 0.0000 65.2891 31.3716 177.3115 67 E 4.3182 9.3272 117.4064 57.6666 30.4754 178.1672 68 F 4.3688 8.6166 121.3275 60.5841 39.4008 177.1810 69 L 4.0483 8.0229 118.4283 58.6175 42.0432 177.9421 70 T 4.1151 7.8786 115.5025 65.3656 66.9603 177.0487 71 M 3.7017 8.0623 120.3188 58.1739 33.9624 177.1028 72 M 4.5545 7.4665 120.2333 54.1670 28.3525 174.3259 73 A 4.6618 7.6024 124.2840 52.8243 25.4627 179.2384 74 R 4.2291 7.3860 115.0646 58.2878 30.4991 177.6655 75 K 4.3743 7.9435 116.3897 56.3846 33.9210 175.8941 76 M 4.5231 9.1284 117.1243 55.5684 33.7694 176.7887 77 K 4.1508 8.1436 116.8054 57.7363 31.6692 175.2307 78 D 4.7117 7.2428 113.3618 55.6748 43.9053 175.2942 79 T 3.9246 7.6861 113.6166 63.3459 67.7619 174.2069 80 D 4.8184 8.3266 127.0901 53.3554 42.8690 177.3243 81 S 4.4477 8.0065 116.8454 60.9737 62.7877 174.9218 82 E 3.9346 8.3625 122.3159 60.0425 29.4004 177.7722 83 E 3.9675 8.3843 118.3956 58.7949 29.6233 178.0994 84 E 3.9576 8.1389 117.5749 60.0462 29.8491 179.7128 85 I 3.9733 7.7360 118.7402 64.5331 37.2274 178.1997 86 R 4.3708 8.6097 119.5097 58.6417 29.6535 178.3794 87 E 4.0484 8.5077 118.3219 59.1495 29.8842 178.1679 88 A 4.3457 8.3107 120.4403 55.6026 18.3964 178.7747 89 F 3.7121 8.5751 118.2070 61.9962 39.2433 177.5076 90 R 4.0110 8.0987 115.9713 59.1652 29.9188 179.1079 91 V 3.6550 7.8848 117.8312 66.0527 31.7171 177.7904 92 F 4.0555 8.0911 115.5974 59.8567 40.2358 176.4944 93 D 4.5199 7.3326 117.2627 53.8078 36.7982 175.5747 94 K 4.0115 7.8114 123.4959 59.6172 32.9335 178.7587 95 D 4.3840 7.9354 117.0079 56.0938 39.3740 177.3270 96 G 4.2325 7.9634 108.3257 45.6325 0.0000 173.5451 97 N 4.7074 8.7295 115.6025 51.7273 37.5765 176.3274 98 G 4.1052 8.4674 105.6354 46.4817 0.0000 173.2408 99 Y 5.0532 7.7826 116.0374 56.1098 42.0969 175.4144 100 I 4.4869 9.5987 125.0569 59.7415 38.8019 175.3246 101 S 4.7113 10.2867 123.8340 57.3964 64.4486 175.4941 102 A 4.1553 8.8362 123.0775 55.3526 18.0109 179.6642 103 A 3.9382 8.0930 119.1596 55.7144 18.4647 179.5739 104 E 3.9928 8.0463 114.0702 58.9955 29.6920 178.7626 105 L 4.0709 8.3490 122.0309 58.2795 42.0831 179.0132 106 R 3.8778 7.9436 117.9435 59.9157 29.9485 177.7506 107 H 4.1211 8.1003 116.6310 59.0771 29.7881 176.2016 108 V 3.8696 7.7803 118.9963 64.7546 31.9993 177.6367 109 M 4.1970 8.2428 118.5601 57.8539 31.5210 178.0808 110 T 4.7594 7.7287 109.9077 62.6969 69.8603 176.2331 111 N 4.5759 7.7361 119.8182 55.4072 38.4405 176.3270 112 L 4.1817 7.5645 117.7026 54.9758 41.3738 177.8060 113 G 3.8534 8.0893 107.1260 45.1163 0.0000 173.3937 114 E 4.3073 7.9147 121.3418 54.2658 30.0534 175.2246 115 K 4.3548 8.6054 126.9127 56.0024 31.8428 176.2837 116 L 4.6612 8.1598 124.0161 52.9030 43.8917 176.3750 117 T 4.1446 8.2544 116.9539 61.3634 67.6435 174.9506 118 D 4.4358 8.8395 128.6490 56.6883 41.3249 177.4796 119 E 4.3456 8.4735 118.5888 59.3496 30.1901 177.6021 120 E 4.3161 7.8063 116.2775 57.4290 29.5129 179.0376 121 V 3.6819 7.5564 119.1380 65.9411 31.8120 177.1495 122 D 4.4573 8.2251 116.8929 58.1934 40.8465 178.0462 123 Q 3.9911 7.8776 118.8501 59.4920 28.9091 177.6855 124 M 3.8739 8.5525 118.2560 58.9605 31.8403 179.3489 125 I 3.6140 8.0270 119.1753 64.5007 37.6473 178.1137 126 R 3.7701 8.0694 119.8734 59.3947 29.9048 178.0842 127 E 4.0713 8.1443 117.7142 58.2916 29.6706 177.8490 128 A 4.3640 7.2924 119.3535 53.2647 19.5293 177.2291 129 D 4.6591 7.4893 117.1016 54.3656 41.7455 175.8702 130 I 4.2535 9.9921 128.0951 61.7993 38.4593 176.2103 131 D 4.7485 8.3938 117.2885 52.6606 39.4055 177.2647 132 G 4.0429 8.4562 109.4257 46.0786 0.0000 174.7325 133 D 4.3324 8.0264 116.4017 53.8711 38.9784 177.6918 134 G 4.0526 8.8422 107.7874 46.1290 0.0000 173.1269 135 Q 4.8064 7.7299 114.9236 54.3434 32.1441 174.8248 136 V 4.9905 8.7286 111.9180 58.7490 34.8952 175.0092 137 N 5.2353 8.7668 120.8660 50.9855 40.5368 174.7275 138 Y 3.4252 7.9775 119.3537 61.4657 38.3846 177.4857 139 E 3.5653 8.2630 117.7443 60.3378 29.6054 179.1852 140 E 4.0286 9.3927 117.9645 59.1177 29.8411 179.1084 141 F 4.4761 8.4743 122.7878 61.2075 38.9341 177.2017 142 V 3.2565 8.1201 118.3462 66.1567 31.1949 177.4664 143 Q 3.8797 7.7664 117.3489 58.9888 28.3015 178.4366 144 M 3.7811 7.8910 119.2181 58.8088 32.5667 177.8950 145 M 3.8550 7.8102 116.8592 56.9853 32.0205 176.9473 146 T 3.7517 5.7900 107.9534 64.6793 69.5378 174.0985 147 A 3.8249 7.4688 128.3138 51.5638 18.0618 177.2472 148 K 4.1008 8.4419 121.4624 57.4532 32.3039 176.6627 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 3 Q 8.44 4.22 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.43 3.90 0.00 1.73 1.54 0.92 0.60 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 5 T 8.85 4.06 4.19 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 1.25 0.00 0.00 6 E 8.98 3.85 0.00 2.19 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 0.00 2.35 2.38 0.00 7 E 8.26 3.98 0.00 2.03 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 2.39 2.40 0.00 8 Q 7.89 3.99 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 9 I 8.59 3.92 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.90 0.00 0.00 10 A 8.03 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 11 E 8.02 4.08 0.00 2.28 2.26 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 2.42 2.66 0.00 12 F 8.85 4.80 0.00 3.19 3.50 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 13 K 8.00 4.45 0.00 1.97 2.00 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.75 7.81 14 E 8.57 4.30 0.00 2.18 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 0.00 2.43 2.56 0.00 15 A 7.89 4.70 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 16 F 8.09 3.62 0.00 3.29 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 17 S 9.04 4.11 0.00 4.16 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 18 L 7.39 4.09 0.00 1.86 1.97 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.42 4.49 0.00 2.88 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 20 D 8.07 4.41 0.00 2.35 2.51 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 21 K 8.14 3.73 0.00 1.67 1.80 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.51 7.81 22 D 8.56 4.54 0.00 2.84 2.80 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 23 G 7.43 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 24 D 8.28 4.31 0.00 2.76 2.59 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 25 G 7.24 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 0.00 0.00 0.00 26 T 8.19 5.37 4.30 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 1.18 0.00 0.00 27 I 8.62 4.84 1.61 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 -0.10 0.00 0.00 28 T 9.86 4.60 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 29 T 8.37 3.81 4.22 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 1.20 0.00 0.00 30 K 8.05 3.80 0.00 1.80 1.86 0.00 1.55 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 31 E 7.95 3.85 0.00 2.10 1.84 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 2.39 2.28 0.00 32 L 8.06 3.89 0.00 1.79 1.87 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.90 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 3.73 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 1.18 0.00 0.00 35 V 7.68 2.80 1.86 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 0.53 0.00 0.00 0.54 0.00 0.00 36 M 7.87 4.06 0.00 2.04 2.16 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 2.68 2.78 0.00 37 R 8.40 4.73 0.00 1.75 1.95 0.00 3.07 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 38 S 7.54 4.20 0.00 3.96 3.68 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 39 L 7.91 4.33 0.00 1.75 1.64 0.62 0.97 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 40 G 8.72 3.57 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 0.00 0.00 0.00 41 Q 7.38 4.54 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 42 N 8.42 5.12 0.00 2.75 2.74 0.00 0.00 6.04 7.75 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 43 P 0.00 4.26 0.00 2.18 2.11 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 44 T 8.16 3.94 4.23 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 1.28 0.00 0.00 45 E 8.84 4.03 0.00 1.97 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 0.00 2.30 2.31 0.00 46 A 8.43 4.56 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 47 E 9.65 4.09 0.00 2.02 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 0.00 2.30 2.24 0.00 48 L 7.83 4.15 0.00 1.76 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.68 4.42 0.00 2.19 2.12 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 2.31 2.42 0.00 50 D 7.46 4.34 0.00 2.76 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 51 M 7.93 4.22 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 52 I 7.66 3.77 1.91 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 1.54 1.64 1.06 0.00 0.00 53 N 8.80 4.38 0.00 2.73 2.87 0.00 0.00 7.23 7.53 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 54 E 7.60 4.24 0.00 2.31 1.96 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 2.32 2.39 0.00 55 V 7.65 4.55 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 56 D 7.74 4.68 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 57 A 7.97 4.74 1.23 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 0.00 0.00 58 D 7.74 5.16 0.00 2.71 2.59 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 59 G 8.68 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 60 N 8.19 4.45 0.00 2.84 2.90 0.00 0.00 6.96 8.29 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 61 G 7.33 3.37 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 0.00 62 T 7.67 5.44 4.23 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 1.21 0.00 0.00 63 I 8.22 4.79 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.98 0.00 0.00 64 D 8.42 5.06 0.00 2.84 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 65 F 8.88 3.08 0.00 2.87 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 66 P 0.00 4.55 0.00 2.17 2.17 0.00 4.19 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 67 E 9.33 4.32 0.00 2.06 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 2.33 2.70 0.00 68 F 8.62 4.37 0.00 3.07 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 69 L 8.02 4.05 0.00 1.70 1.69 0.95 0.91 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 70 T 7.88 4.12 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 1.20 0.00 0.00 71 M 8.06 3.70 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 72 M 7.47 4.55 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 73 A 7.60 4.66 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 74 R 7.39 4.23 0.00 1.86 2.01 0.00 3.29 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 75 K 7.94 4.37 0.00 1.68 1.79 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.39 7.81 76 M 9.13 4.52 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 77 K 8.14 4.15 0.00 1.72 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.48 7.81 78 D 7.24 4.71 0.00 2.66 2.51 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 79 T 7.69 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 1.26 0.00 0.00 80 D 8.33 4.82 0.00 2.66 2.59 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 81 S 8.01 4.45 0.00 4.14 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 0.00 82 E 8.36 3.93 0.00 2.02 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 2.40 2.51 0.00 83 E 8.38 3.97 0.00 2.14 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 0.00 2.39 2.48 0.00 84 E 8.14 3.96 0.00 2.27 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 2.45 2.54 0.00 85 I 7.74 3.97 2.12 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.88 0.00 0.00 86 R 8.61 4.37 0.00 1.68 2.13 0.00 2.94 0.00 0.00 2.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.33 0.00 87 E 8.51 4.05 0.00 2.12 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 0.00 2.39 2.64 0.00 88 A 8.31 4.35 1.73 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 89 F 8.58 3.71 0.00 3.77 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.01 0.00 2.07 2.07 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 91 V 7.88 3.66 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 0.36 0.00 0.00 0.89 0.00 0.00 92 F 8.09 4.06 0.00 2.60 2.93 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 93 D 7.33 4.52 0.00 1.92 2.38 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 94 K 7.81 4.01 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.39 7.81 95 D 7.94 4.38 0.00 2.74 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 96 G 7.96 4.23 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 0.00 0.00 0.00 97 N 8.73 4.71 0.00 3.06 3.17 0.00 0.00 6.92 7.28 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 98 G 8.47 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 99 Y 7.78 5.05 0.00 2.80 2.88 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 0.00 100 I 9.60 4.49 1.72 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.05 0.75 0.00 0.00 101 S 10.29 4.71 0.00 3.77 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 0.00 102 A 8.84 4.16 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 0.00 103 A 8.09 3.94 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 0.00 104 E 8.05 3.99 0.00 2.40 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 0.00 2.40 2.33 0.00 105 L 8.35 4.07 0.00 1.75 1.94 0.94 0.84 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 0.00 106 R 7.94 3.88 0.00 2.23 1.94 0.00 3.33 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 107 H 8.10 4.12 0.00 3.13 3.49 0.00 5.99 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.78 3.87 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 0.32 0.00 0.00 0.64 0.00 0.00 109 M 8.24 4.20 0.00 2.13 2.37 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 2.72 3.01 0.00 110 T 7.73 4.76 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 1.34 0.00 0.00 111 N 7.74 4.58 0.00 2.64 2.83 0.00 0.00 6.85 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 0.00 112 L 7.56 4.18 0.00 1.64 1.68 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.09 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 0.00 114 E 7.91 4.31 0.00 2.08 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 2.27 2.33 0.00 115 K 8.61 4.35 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.16 4.66 0.00 1.64 1.59 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.25 4.14 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 0.00 118 D 8.84 4.44 0.00 2.71 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 0.00 119 E 8.47 4.35 0.00 1.98 1.96 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 2.28 2.48 0.00 120 E 7.81 4.32 0.00 1.99 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 2.33 2.32 0.00 121 V 7.56 3.68 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 1.15 0.00 0.00 0.96 0.00 0.00 122 D 8.23 4.46 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 0.00 123 Q 7.88 3.99 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 124 M 8.55 3.87 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.63 0.00 125 I 8.03 3.61 2.02 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 1.42 1.12 0.95 0.00 0.00 126 R 8.07 3.77 0.00 2.26 1.95 0.00 3.10 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 127 E 8.14 4.07 0.00 2.03 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 2.33 2.33 0.00 128 A 7.29 4.36 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 0.00 129 D 7.49 4.66 0.00 2.85 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 0.00 130 I 9.99 4.25 1.88 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 1.36 0.98 0.91 0.00 0.00 131 D 8.39 4.75 0.00 2.79 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 0.00 132 G 8.46 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 0.00 0.00 0.00 133 D 8.03 4.33 0.00 2.77 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 0.00 134 G 8.84 4.05 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 0.00 0.00 0.00 135 Q 7.73 4.81 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 136 V 8.73 4.99 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 0.92 0.00 0.00 1.03 0.00 0.00 137 N 8.77 5.24 0.00 2.52 2.75 0.00 0.00 5.83 7.57 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 0.00 138 Y 7.98 3.43 0.00 2.01 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 0.00 139 E 8.26 3.57 0.00 2.33 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 2.38 2.40 0.00 140 E 9.39 4.03 0.00 2.33 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 0.00 2.53 2.45 0.00 141 F 8.47 4.48 0.00 3.24 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 0.00 142 V 8.12 3.26 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.20 0.00 0.00 143 Q 7.77 3.88 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.41 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 144 M 7.89 3.78 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 145 M 7.81 3.86 0.00 1.82 1.49 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 146 T 5.79 3.75 4.19 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 1.16 0.00 0.00 147 A 7.47 3.82 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 0.00 148 K 8.44 4.10 0.00 1.81 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81