NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6955 8.4249 119.2028 53.3007 39.0983 172.4468 4 I 4.7230 7.8247 124.6984 58.9071 41.0986 172.8785 5 T 5.0192 9.2139 123.0776 61.6416 72.6370 172.4233 6 I 4.8529 8.5490 125.6065 59.4194 41.2425 173.9739 7 Y 4.7959 9.2863 128.1853 57.7079 38.4220 173.6181 8 H 5.1455 9.4333 125.1036 54.1927 33.1679 173.0355 9 N 4.8918 8.8405 123.3155 50.8245 39.5054 173.2019 10 P 4.1291 0.0000 0.0000 64.9013 31.4342 177.0496 11 A 4.3072 8.1881 120.6849 52.3910 19.0069 176.6602 12 C 4.8319 8.1716 118.0388 57.2595 33.5945 174.3805 13 G 3.7193 8.7508 115.1345 48.4028 0.0000 175.2425 14 T 3.9184 7.9386 117.5524 66.4670 68.4150 176.4966 15 S 4.1698 7.9411 114.4577 61.3634 62.5329 176.1532 16 R 4.0076 8.4189 121.1551 59.5041 29.8511 178.6923 17 N 4.5131 8.5803 116.5449 56.7688 38.0448 177.5852 18 T 3.7756 8.0831 116.9773 66.4853 68.4789 176.3335 19 L 3.9196 8.1218 122.3644 58.3838 41.9982 178.9820 20 E 4.0408 8.4777 118.4892 59.6659 29.1696 179.2703 21 M 3.4961 7.7540 118.1206 57.9170 32.1208 178.5717 22 I 3.7878 7.8059 120.1540 64.5139 37.3263 178.6332 23 R 4.2762 8.1175 120.3930 58.6530 29.8472 178.0991 24 N 4.6275 8.5552 115.7176 54.8902 38.8373 175.8292 25 S 4.7116 7.7297 114.0149 59.1942 63.6730 174.6905 26 G 4.0230 8.4657 111.4276 45.4085 0.0000 173.4032 27 T 4.5608 7.4931 108.6955 59.3269 71.6357 172.5136 28 E 4.3425 8.6186 124.8673 54.5121 29.9924 174.1636 29 P 4.7262 0.0000 0.0000 62.2304 33.1546 175.9971 30 T 4.0164 8.7987 118.1091 63.7546 69.5014 173.6799 31 I 4.6962 8.3233 126.8330 59.7351 39.2807 174.9265 32 I 4.2316 8.4386 129.2461 59.5443 39.2684 175.7863 33 L 4.8901 8.7893 127.9433 52.6881 40.1817 176.8181 34 Y 4.6610 8.5774 121.7992 59.6908 38.3108 178.6303 35 L 3.8726 6.9817 119.6901 56.6536 41.8447 177.4803 36 E 4.4534 7.8756 114.5657 56.7052 31.2210 175.7729 37 N 5.0103 8.2499 116.7343 50.3278 38.6147 172.1449 38 P 4.6665 0.0000 0.0000 61.2319 32.6963 175.4762 39 P 4.6828 0.0000 0.0000 62.1308 31.7434 176.5154 40 S 4.4714 8.6057 114.7077 57.5040 65.2885 175.1836 41 R 3.8314 8.3539 120.6367 59.8432 29.7931 177.9259 42 D 4.3640 8.0536 118.0893 57.4058 40.5231 178.5194 43 E 3.9663 8.0204 118.9321 59.2354 29.4559 179.2011 44 L 3.8552 8.2823 120.7804 58.0893 42.1883 178.9814 45 V 3.5548 8.0650 118.6238 65.9715 31.3955 177.9027 46 K 3.9225 8.0407 119.1768 59.4073 31.9769 178.6134 47 L 3.9404 8.1140 119.5250 58.0576 41.3461 179.7012 48 I 3.6424 7.6428 117.9834 64.1176 37.2030 178.0322 49 A 4.1357 8.0893 121.6124 55.5064 18.0717 179.5759 50 D 4.3734 8.4425 116.0251 57.4898 39.5662 178.4997 51 M 4.5033 7.8158 120.3976 55.2571 31.6758 177.8569 52 G 3.8962 7.7378 106.4545 45.7392 0.0000 173.0224 53 I 4.5994 6.8737 110.6760 58.0248 40.3555 175.4176 54 S 4.3705 8.2795 115.3977 57.7904 64.0253 175.0311 55 V 3.7060 8.5000 121.1201 66.4409 31.2210 178.3041 56 R 3.9610 8.0837 117.5459 59.3794 29.7160 178.0269 57 A 4.1116 7.9386 119.4823 54.2396 18.6686 177.9344 58 L 4.1089 7.8832 118.4742 56.1253 42.6449 176.0835 59 L 4.6999 7.5500 119.1228 54.9414 42.0083 176.6751 60 A 4.0986 8.9881 127.4138 51.7334 18.9133 177.4966 61 K 2.7567 8.2408 122.0098 54.6106 34.7990 176.2299 62 N 5.1142 8.4066 113.9978 54.2235 36.1120 175.4219 63 V 4.5595 7.0184 109.3503 58.4307 36.7186 175.5008 64 E 4.0235 8.7685 121.9367 59.2856 29.4724 177.6560 65 P 4.0862 0.0000 0.0000 65.9014 30.9539 177.5754 66 Y 3.7494 7.9262 118.7344 60.3759 38.8413 177.7575 67 E 4.0296 8.1717 119.1509 59.8150 29.4792 179.4791 68 Q 4.0411 8.1403 116.4868 58.2669 28.9973 177.2078 69 L 4.0203 7.7640 115.8294 54.3880 42.0469 177.0970 70 G 3.8622 7.7633 106.9781 46.4393 0.0000 175.9712 71 L 3.4242 7.1895 120.6805 56.1857 41.5623 178.7003 72 A 4.2195 7.2038 120.1893 54.0320 18.5878 177.6924 73 E 4.2951 7.9643 115.1693 56.1464 30.6168 177.2252 74 D 4.7622 8.3455 123.1372 53.3798 39.6360 175.9000 75 K 4.4511 7.5957 115.1064 55.2947 34.3142 176.1752 76 F 5.0877 7.9338 117.2830 55.1657 42.0614 175.7871 77 T 4.2379 9.0753 116.5460 61.3122 70.7024 175.3004 78 D 4.4126 8.6559 121.4016 57.9844 40.7926 179.0488 79 D 4.4183 8.0566 118.6568 57.2317 40.9012 178.5519 80 Q 3.8348 8.2382 118.7600 58.9145 28.6344 178.9869 81 L 4.1710 8.2160 119.9738 57.7978 41.6146 179.4287 82 I 3.6927 8.1281 120.1843 64.7613 37.0943 178.2972 83 D 4.2974 8.2293 119.5510 57.1714 40.5626 178.8259 84 F 4.4704 8.0016 118.4808 60.8553 38.4143 177.5149 85 M 4.1639 8.4329 118.4619 58.5122 31.5580 178.8281 86 L 4.0436 7.9555 118.0528 57.8999 41.8925 179.2441 87 Q 4.2782 8.1607 116.3674 57.3748 30.2330 176.4464 88 H 4.9523 8.2373 116.9248 53.2135 29.8762 172.0665 89 P 4.6402 0.0000 0.0000 64.4350 31.8250 178.5327 90 I 3.9112 7.7768 116.9557 63.0457 38.2225 176.5743 91 L 4.1543 8.3645 120.3659 57.2287 41.7068 176.4203 92 I 4.2382 7.8013 120.6729 60.5026 37.1714 175.8337 93 N 4.7171 9.1123 127.1730 53.6741 39.7383 173.8690 94 R 4.7427 8.0950 117.2768 53.8941 33.0029 172.6083 95 P 5.0481 0.0000 0.0000 61.5652 33.8135 174.3588 96 I 4.8455 8.2385 122.0419 59.9071 39.4281 174.6223 97 V 4.9361 8.8306 126.7383 60.9983 34.7508 174.1777 98 V 4.9913 9.0410 127.5107 61.3932 34.4257 174.3982 99 T 5.1604 8.8724 116.9406 59.1340 72.3339 172.9756 100 P 4.2956 0.0000 0.0000 65.3360 31.3280 177.8249 101 L 4.2110 8.2880 116.8485 54.5382 42.1521 176.8994 102 G 4.0409 6.3728 105.7324 45.3957 0.0000 170.5784 103 T 5.1687 7.7028 114.8853 61.8579 71.9566 173.8822 104 R 4.6138 8.8446 123.3167 54.1812 35.2080 174.3504 105 L 4.2891 8.5443 124.5424 55.3226 42.2843 176.9471 106 C 4.4959 8.9166 128.0099 58.2986 26.3810 172.5170 107 R 4.3832 7.7270 116.7043 53.3097 32.4779 173.7602 108 P 4.6310 0.0000 0.0000 61.5192 32.7218 177.5218 109 S 4.3906 8.8627 114.8437 60.8802 62.6527 175.7554 110 E 4.0628 8.0842 119.2830 57.6295 29.5416 178.4792 111 V 3.6134 7.8544 120.5584 66.2408 31.4554 177.9766 112 V 3.6763 8.0513 118.7815 64.4696 30.5454 178.2535 113 L 4.0018 7.9568 119.7668 57.6312 41.0893 179.0491 114 D 4.6083 8.0708 118.7843 56.4163 40.8587 177.1328 115 I 4.2606 7.3497 109.5135 60.3158 38.3921 175.4776 116 L 4.2159 7.2149 123.2520 54.5361 41.9524 177.1442 117 Q 4.1066 8.8288 123.2508 58.2273 29.0361 176.3256 118 D 4.8568 7.6919 115.9066 51.9485 42.7758 176.1984 119 A 4.1601 8.3223 125.6948 51.7515 19.1161 177.3511 120 Q 4.1657 8.5445 118.7237 56.7521 29.1214 178.0162 121 K 4.1455 8.8872 121.2485 58.2135 32.4860 176.4417 122 G 4.1494 7.4881 103.5902 45.2041 0.0000 172.8790 123 A 4.6318 8.9047 121.9156 52.4211 19.2716 177.2274 124 F 4.6788 9.2642 121.6815 56.6450 42.6712 173.7257 125 T 4.8874 7.4626 121.9829 61.2253 71.0087 174.3763 126 K 4.3023 9.1038 126.5139 56.0149 32.7817 177.9465 127 E 3.8775 9.0918 119.1555 59.0144 29.4496 177.6127 128 D 4.5957 8.0812 117.2905 53.1014 39.6632 177.1494 129 G 3.8671 8.1973 109.4926 45.2407 0.0000 173.7412 130 E 3.9803 8.4109 121.9194 55.7992 29.8001 176.1223 131 K 4.3912 8.6068 126.5908 56.6080 33.0609 175.9231 132 V 4.2747 9.1301 122.4397 63.9752 33.3010 175.6890 133 V 4.8931 7.5228 112.1765 59.3507 35.0070 175.5244 134 D 5.1635 8.5776 123.5051 52.0709 41.0782 177.0321 135 E 4.0763 8.6343 117.4574 59.3134 29.4586 178.5986 136 A 4.0415 8.0246 120.5354 53.3451 18.6985 178.0354 137 G 4.0883 8.0512 102.7795 45.0374 0.0000 173.7400 138 K 4.1556 8.5421 122.4192 55.3504 32.8164 176.4352 139 R 4.4052 8.5445 125.5158 56.6154 30.5649 176.6366 140 L 4.2496 9.1151 122.7875 54.9911 41.6893 176.5378 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 N 8.42 4.70 0.00 2.69 2.84 0.00 0.00 6.80 7.06 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 4 I 7.82 4.72 1.84 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 1.33 0.78 0.95 0.00 0.00 5 T 9.21 5.02 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 0.84 0.00 0.00 6 I 8.55 4.85 1.84 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 1.29 1.94 0.91 0.00 0.00 7 Y 9.29 4.80 0.00 2.95 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 8 H 9.43 5.15 0.00 3.25 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.84 4.89 0.00 2.94 2.75 0.00 0.00 6.90 7.23 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 10 P 0.00 4.13 0.00 2.19 2.19 0.00 3.70 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 11 A 8.19 4.31 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 12 C 8.17 4.83 0.00 3.01 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 13 G 8.75 3.72 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 0.00 0.00 0.00 14 T 7.94 3.92 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 1.26 0.00 0.00 15 S 7.94 4.17 0.00 3.97 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 0.00 16 R 8.42 4.01 0.00 2.08 2.03 0.00 3.23 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 17 N 8.58 4.51 0.00 2.92 3.02 0.00 0.00 7.10 6.66 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 18 T 8.08 3.78 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 1.19 0.00 0.00 19 L 8.12 3.92 0.00 1.63 1.81 0.85 0.98 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 20 E 8.48 4.04 0.00 2.36 2.30 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 2.66 2.62 0.00 21 M 7.75 3.50 0.00 1.62 1.84 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 22 I 7.81 3.79 1.97 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 1.47 0.66 0.92 0.00 0.00 23 R 8.12 4.28 0.00 2.01 2.00 0.00 3.32 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 24 N 8.56 4.63 0.00 3.04 2.96 0.00 0.00 6.91 8.50 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 25 S 7.73 4.71 0.00 4.23 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 26 G 8.47 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.49 4.56 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 1.20 0.00 0.00 28 E 8.62 4.34 0.00 1.92 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 2.24 2.33 0.00 29 P 0.00 4.73 0.00 2.06 2.00 0.00 3.79 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 1.93 1.95 0.00 30 T 8.80 4.02 4.16 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 1.15 0.00 0.00 31 I 8.32 4.70 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.93 0.00 0.00 32 I 8.44 4.23 1.35 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.43 1.00 0.00 0.00 33 L 8.79 4.89 0.00 1.70 1.57 0.91 1.00 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 34 Y 8.58 4.66 0.00 3.19 3.40 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 35 L 6.98 3.87 0.00 1.37 1.57 0.68 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.88 4.45 0.00 2.04 2.02 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 2.17 2.36 0.00 37 N 8.25 5.01 0.00 2.70 2.81 0.00 0.00 7.04 7.81 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 38 P 0.00 4.67 0.00 2.24 2.24 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 39 P 0.00 4.68 0.00 2.15 2.07 0.00 3.41 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.54 0.00 40 S 8.61 4.47 0.00 4.08 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 41 R 8.35 3.83 0.00 1.89 1.96 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 D 8.05 4.36 0.00 2.73 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 43 E 8.02 3.97 0.00 2.21 2.02 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 2.36 2.34 0.00 44 L 8.28 3.86 0.00 1.79 1.77 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.07 3.55 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 0.93 0.00 0.00 0.99 0.00 0.00 46 K 8.04 3.92 0.00 1.97 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.48 7.81 47 L 8.11 3.94 0.00 1.77 1.61 0.51 1.07 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 48 I 7.64 3.64 1.98 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 1.41 0.53 0.93 0.00 0.00 49 A 8.09 4.14 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 50 D 8.44 4.37 0.00 2.73 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 51 M 7.82 4.50 0.00 2.03 2.26 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 2.78 2.39 0.00 52 G 7.74 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 53 I 6.87 4.60 1.86 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 1.33 0.76 0.94 0.00 0.00 54 S 8.28 4.37 0.00 4.01 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 55 V 8.50 3.71 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 1.05 0.00 0.00 0.94 0.00 0.00 56 R 8.08 3.96 0.00 1.97 1.96 0.00 3.30 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 57 A 7.94 4.11 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 58 L 7.88 4.11 0.00 1.72 1.80 0.87 0.30 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 59 L 7.55 4.70 0.00 1.84 1.73 1.04 0.88 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 60 A 8.99 4.10 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.24 2.76 0.00 1.37 1.04 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.75 1.11 7.81 62 N 8.41 5.11 0.00 2.80 2.87 0.00 0.00 7.05 7.68 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 63 V 7.02 4.56 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 0.95 0.00 0.00 1.02 0.00 0.00 64 E 8.77 4.02 0.00 2.02 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 2.48 2.38 0.00 65 P 0.00 4.09 0.00 2.17 2.04 0.00 3.68 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 2.08 2.02 0.00 66 Y 7.93 3.75 0.00 3.04 3.10 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 67 E 8.17 4.03 0.00 2.26 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 2.40 2.50 0.00 68 Q 8.14 4.04 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 69 L 7.76 4.02 0.00 1.20 1.01 0.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.76 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.19 3.42 0.00 0.27 1.04 0.56 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.20 4.22 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 73 E 7.96 4.30 0.00 2.17 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 2.35 2.26 0.00 74 D 8.35 4.76 0.00 2.66 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 75 K 7.60 4.45 0.00 0.79 1.19 0.00 1.60 0.00 0.00 1.90 0.00 0.00 2.71 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.16 1.27 7.81 76 F 7.93 5.09 0.00 3.07 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 77 T 9.08 4.24 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 1.22 0.00 0.00 78 D 8.66 4.41 0.00 2.76 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 79 D 8.06 4.42 0.00 2.75 2.69 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 80 Q 8.24 3.83 0.00 2.42 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 81 L 8.22 4.17 0.00 1.90 1.78 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.13 3.69 1.98 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 1.51 0.69 0.89 0.00 0.00 83 D 8.23 4.30 0.00 2.48 2.56 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 84 F 8.00 4.47 0.00 3.21 2.97 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 85 M 8.43 4.16 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.63 0.00 86 L 7.96 4.04 0.00 1.75 1.73 0.95 1.04 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 87 Q 8.16 4.28 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.17 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 88 H 8.24 4.95 0.00 3.27 3.19 0.00 5.62 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 89 P 0.00 4.64 0.00 2.24 2.24 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 90 I 7.78 3.91 1.89 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 1.46 0.78 0.95 0.00 0.00 91 L 8.36 4.15 0.00 1.92 1.77 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.80 4.24 1.83 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 1.07 0.50 0.58 0.00 0.00 93 N 9.11 4.72 0.00 2.82 2.65 0.00 0.00 7.03 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 94 R 8.10 4.74 0.00 1.83 1.62 0.00 3.39 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 95 P 0.00 5.05 0.00 2.18 2.29 0.00 3.99 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.87 0.00 96 I 8.24 4.85 1.88 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 0.90 0.00 0.00 97 V 8.83 4.94 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 0.97 0.00 0.00 0.94 0.00 0.00 98 V 9.04 4.99 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 1.05 0.00 0.00 1.06 0.00 0.00 99 T 8.87 5.16 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 1.23 0.00 0.00 100 P 0.00 4.30 0.00 2.05 2.17 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 101 L 8.29 4.21 0.00 1.80 1.71 0.91 0.72 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 0.00 102 G 6.37 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 0.00 103 T 7.70 5.17 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 0.00 104 R 8.84 4.61 0.00 1.66 1.73 0.00 3.27 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 105 L 8.54 4.29 0.00 1.60 1.58 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.92 4.50 0.00 2.84 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 0.00 107 R 7.73 4.38 0.00 1.72 1.82 0.00 3.45 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 108 P 0.00 4.63 0.00 2.45 2.20 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 109 S 8.86 4.39 0.00 4.13 4.33 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 0.00 110 E 8.08 4.06 0.00 2.17 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 0.00 2.36 2.31 0.00 111 V 7.85 3.61 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 1.03 0.00 0.00 0.95 0.00 0.00 112 V 8.05 3.68 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 0.67 0.00 0.00 0.89 0.00 0.00 113 L 7.96 4.00 0.00 1.77 1.73 0.89 0.76 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 0.00 114 D 8.07 4.61 0.00 2.73 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 0.00 115 I 7.35 4.26 1.86 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 1.28 0.64 0.90 0.00 0.00 116 L 7.21 4.22 0.00 1.79 1.62 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.83 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.69 4.86 0.00 2.75 2.56 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 0.00 119 A 8.32 4.16 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 0.00 120 Q 8.54 4.17 0.00 2.07 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 121 K 8.89 4.15 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.39 7.81 122 G 7.49 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 4.63 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 0.00 124 F 9.26 4.68 0.00 3.17 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 0.00 125 T 7.46 4.89 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 1.16 0.00 0.00 126 K 9.10 4.30 0.00 1.87 1.80 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.64 7.81 127 E 9.09 3.88 0.00 2.06 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 0.00 2.51 2.26 0.00 128 D 8.08 4.60 0.00 2.80 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 0.00 129 G 8.20 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.41 3.98 0.00 2.12 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 2.33 2.30 0.00 131 K 8.61 4.39 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 132 V 9.13 4.27 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 1.05 0.00 0.00 1.13 0.00 0.00 133 V 7.52 4.89 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 0.80 0.00 0.00 1.04 0.00 0.00 134 D 8.58 5.16 0.00 2.87 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 0.00 135 E 8.63 4.08 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 136 A 8.02 4.04 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 0.00 137 G 8.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.54 4.16 0.00 1.83 2.02 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 139 R 8.54 4.41 0.00 1.85 1.88 0.00 3.43 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 140 L 9.12 4.25 0.00 1.61 1.58 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00