NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3907 8.3193 115.2879 57.1271 63.7389 173.6420 5 K 4.5730 7.3366 117.2123 56.2699 33.9799 172.3597 6 H 4.5325 9.2331 120.9019 56.2022 30.6998 176.1038 7 G 3.9966 7.9891 107.1428 45.5866 0.0000 174.1558 8 L 4.8113 8.0608 119.0692 52.8800 44.1659 174.9827 9 K 4.9882 8.1299 118.2055 54.2643 35.5706 177.4232 10 E 3.9908 8.7611 118.8546 59.0612 29.5354 176.6163 11 E 4.9402 7.9667 118.7617 55.1088 32.5304 174.1813 12 M 5.2153 8.9268 127.4234 53.6736 36.5295 174.3608 13 T 5.2786 8.5858 108.2802 60.5241 72.5645 173.0082 14 M 5.0906 8.7163 119.5421 53.5260 35.1410 174.0969 15 K 4.9705 8.2782 119.8824 54.8881 35.7922 174.7565 16 Y 5.2997 8.9555 120.2294 56.7235 42.5054 174.1855 17 H 5.2550 9.3588 122.5748 55.0349 32.7395 171.0407 18 M 5.1608 9.4170 126.5744 53.6977 34.8707 174.2114 19 E 4.9778 8.8299 124.4847 54.6836 33.2874 175.4328 20 G 4.6055 8.1372 110.3282 45.6662 0.0000 170.9916 21 C 4.7459 8.3077 119.0472 58.8259 34.1541 172.6364 22 V 4.8199 9.2577 127.6914 61.6724 33.6919 175.4727 23 N 4.2985 10.0187 126.7932 54.4796 36.6133 175.6296 24 G 3.9335 8.3184 104.0023 45.8204 0.0000 172.9058 25 H 4.7528 8.9195 122.0580 55.0643 30.7420 174.7669 26 K 4.8518 8.6645 125.7057 56.5702 33.1490 176.1769 27 F 5.0333 7.8886 115.4609 56.5608 41.7150 172.8659 28 V 5.0330 9.4356 120.2353 61.4593 35.0622 174.3589 29 I 5.3405 9.4569 126.7863 59.9542 42.0472 174.2327 30 T 5.3301 8.8395 114.9706 60.1966 72.2450 173.0058 31 G 4.5052 9.3147 110.3710 45.3560 0.0000 170.8134 32 E 5.7719 8.1813 117.7780 55.7926 34.8031 175.1336 33 G 4.7470 8.3803 107.3309 47.0339 0.0000 171.7337 34 I 5.1078 7.8852 111.7039 59.3824 41.2769 174.5129 35 G 3.9810 8.5279 109.9086 45.4140 0.0000 171.4692 36 Y 5.6250 8.9211 117.3095 53.7368 37.3579 174.7251 37 P 3.9859 0.0000 0.0000 65.5924 31.9401 178.9422 38 F 4.3578 8.2277 114.5290 59.7071 39.0673 176.3947 39 K 4.3393 8.9106 119.0114 56.1600 32.6756 176.7915 40 G 3.9880 7.9990 106.1400 46.6337 0.0000 172.9424 41 K 5.4958 8.1733 117.3476 54.4803 36.3142 175.5888 42 Q 4.8196 8.9498 120.2568 55.4957 32.5806 173.5891 43 T 4.9478 8.5355 116.8561 62.3364 72.5088 173.0572 44 I 4.8825 8.7745 127.3801 59.3705 41.2135 174.6174 45 N 5.1335 9.1506 121.7660 51.6406 41.3019 173.7213 46 L 4.4483 8.4002 124.6904 53.1951 44.3589 175.5417 47 C 4.7417 7.9892 121.2931 57.9143 35.1811 173.3486 48 V 4.2998 8.5615 127.2397 62.3671 29.8019 175.5020 49 I 4.0517 8.3647 128.8458 63.7564 38.1033 176.5068 50 E 4.4979 8.5999 121.3706 56.1725 33.9543 176.4449 51 G 4.1807 9.4698 112.8093 45.3760 0.0000 173.1643 52 G 4.0288 7.6695 107.6090 43.1003 0.0000 172.3240 53 P 4.5285 0.0000 0.0000 61.7967 32.1971 176.5046 54 L 3.6768 8.9577 122.4596 54.2219 41.7796 175.6531 55 P 4.3435 0.0000 0.0000 63.0629 32.0072 175.4779 56 F 4.9293 6.2251 113.0682 54.1758 40.7187 174.6619 57 S 3.9267 8.4220 116.1190 58.7853 62.6830 175.4856 58 E 3.5254 8.2451 125.5651 58.8356 29.6661 178.7272 59 D 4.4763 8.1162 119.2407 57.5502 40.5242 178.7572 60 I 4.4286 7.2723 111.7400 63.8266 37.6515 177.6330 61 L 3.8736 8.1321 120.3015 56.4804 41.6785 178.5854 62 S 4.4463 8.3418 115.0209 62.3778 62.7208 176.5712 63 A 4.3897 8.3687 122.0796 54.3252 18.3393 179.2414 64 G 4.1649 8.5668 104.6027 46.5308 0.0000 174.4338 65 F 4.5417 7.9852 121.0362 55.6941 37.6651 173.3748 *69 D 4.6944 7.8290 120.5134 53.6874 41.0925 176.0482 70 R 3.7746 8.3538 125.6933 57.8424 29.9409 178.5150 71 I 3.6800 8.5499 111.3868 62.7682 37.9669 176.9300 72 F 4.5769 7.6949 122.6009 56.0200 37.2581 174.9622 73 T 4.8331 7.1453 116.4558 61.8455 73.2960 174.1059 74 E 4.4592 8.8441 127.5859 55.8663 30.7089 174.4377 75 Y 4.9156 8.5139 125.0667 55.2289 40.3983 174.3753 76 P 4.5053 0.0000 0.0000 62.5351 32.4394 177.4308 77 Q 4.0098 8.7627 118.9639 59.2652 28.6674 178.1746 78 D 4.4485 8.1586 115.0716 55.1205 39.4754 176.0072 79 I 4.3739 7.1070 120.7344 58.9119 38.9614 175.6578 80 V 3.4860 8.2607 125.3466 62.9817 32.0776 175.9774 81 D 3.4734 7.8948 126.2443 51.9644 40.3436 175.7085 82 Y 3.6234 7.5145 125.7890 60.1659 39.1983 177.4019 83 F 3.8841 6.9322 117.7553 60.4276 39.1491 177.6855 84 K 3.7777 8.4539 118.4364 59.3950 31.6518 178.8041 85 N 4.3838 7.6445 114.5110 54.6263 38.6034 176.2226 86 S 4.4354 7.4940 115.2638 57.7249 63.7863 173.7014 87 C 4.8043 7.1807 120.7578 58.6395 29.1904 171.7625 88 P 4.5887 0.0000 0.0000 62.8897 31.6231 177.5533 89 A 3.9292 7.9813 122.8116 53.8335 18.6220 178.4533 90 G 4.3213 10.5702 102.6371 47.1382 0.0000 170.9579 91 Y 4.8224 7.9404 116.1645 57.0147 41.1851 172.9318 92 T 5.5063 8.9097 109.4696 59.1264 72.4823 172.8129 93 W 5.7511 7.9661 117.3605 55.4788 31.6981 173.5615 94 G 4.5419 9.1080 107.8698 44.8410 0.0000 171.5201 95 R 5.1756 9.0747 122.4500 54.7742 33.9980 173.5755 96 S 5.2574 8.6027 120.8449 56.7339 65.8343 172.8269 97 F 4.7367 10.0302 123.0272 55.8758 41.3653 174.5727 98 L 4.8310 8.5598 125.2792 52.8104 42.4000 176.2485 99 F 4.8216 8.9082 123.5628 56.8980 39.8863 176.8511 100 E 4.2088 9.0846 119.6310 58.2485 29.7129 177.2493 101 D 4.9182 8.5150 118.7765 53.0924 39.8855 176.8556 102 G 4.0149 8.0063 109.6660 45.9938 0.0000 174.8522 103 A 4.0742 7.4927 120.5076 51.6920 19.6056 176.8977 104 V 5.0014 8.6190 120.0795 61.4973 34.9932 174.1951 105 C 5.3371 9.3565 124.2080 58.0953 32.8112 173.0221 106 I 5.2692 8.7229 121.2016 59.8814 41.1718 173.8881 107 C 5.1471 9.4795 127.0422 57.4747 35.0419 172.0151 108 N 5.1071 8.5776 123.0976 51.7539 41.9384 173.1305 109 V 4.6455 8.1062 124.8048 60.9304 35.9275 173.5406 110 D 4.7724 8.8577 124.4555 52.6077 43.9534 174.2879 111 I 4.9216 8.5994 127.9394 60.2250 39.5835 175.4472 112 T 4.7413 9.0223 123.4694 62.0564 72.8125 173.3462 113 V 4.0353 8.5898 128.1066 62.3241 31.6633 175.7218 114 S 3.9155 9.2105 125.0347 59.5008 62.7602 174.0876 115 V 3.2413 9.0703 117.2148 65.8891 31.4478 176.5018 116 K 4.2819 8.3861 125.4200 58.2305 33.8533 178.1232 117 E 4.2246 7.7286 118.1359 56.3256 30.2712 175.8105 118 N 4.2131 7.9726 115.2661 54.5160 38.0910 172.2493 119 C 5.2092 7.7724 115.5145 57.1670 34.8643 172.3278 120 I 4.3091 8.9435 127.8587 60.8484 38.2765 174.5585 121 Y 4.9587 8.8046 124.7501 56.7861 40.9796 174.7030 122 H 5.3972 8.8149 118.3276 54.4162 33.4045 172.4134 123 K 5.0845 9.2457 123.9492 54.7246 34.3554 175.5655 124 S 5.6757 9.0658 119.0998 55.2422 67.2746 173.0773 125 I 5.0477 7.9938 113.2545 59.2405 40.5571 173.4884 126 F 5.1378 9.2089 129.5968 56.2369 41.9343 173.6556 127 N 5.5096 8.5504 122.8539 51.6854 42.5837 173.6606 128 G 4.6665 9.1441 108.6842 45.8962 0.0000 171.5201 129 M 5.0947 8.9774 117.8315 54.8228 35.3109 174.0721 130 N 4.3540 8.7168 112.6122 54.4141 35.5819 174.6135 131 F 4.5588 8.2720 118.4885 55.4900 38.3903 174.0512 132 P 4.2116 0.0000 0.0000 62.7559 31.6469 177.6982 133 A 4.0277 8.8240 125.4765 54.8994 18.3690 177.6372 134 D 4.8623 8.0191 114.2093 54.3747 41.6243 177.0043 135 G 4.0417 7.7822 106.2601 42.3663 0.0000 172.9959 136 P 4.1800 0.0000 0.0000 64.9697 31.0462 178.9418 137 V 3.3485 7.2912 118.1399 66.1875 31.4528 177.7447 138 M 4.0378 7.8141 116.1446 57.4155 31.9752 177.6802 139 K 4.2316 8.0945 116.7984 54.8036 33.1033 176.4241 140 K 3.6529 7.5907 117.4762 57.9577 29.7921 174.7535 141 M 4.5832 8.1332 113.9864 55.4342 33.3095 176.8785 142 T 4.8871 7.7231 108.7488 60.6524 70.8701 173.3245 143 T 4.3874 8.5450 112.9507 63.0009 69.9959 173.9541 144 N 4.8527 7.5809 117.5878 51.3564 43.5228 172.9149 145 W 4.7947 8.6739 119.8692 55.9476 30.4525 176.4094 146 E 4.4441 9.5902 124.5499 55.6065 29.9652 176.3511 147 A 4.5321 8.6560 126.5832 52.6620 19.5858 176.3861 148 S 4.6872 8.9288 113.3443 57.1699 67.5689 172.1377 149 C 5.0903 8.4869 118.8770 57.9158 33.6473 172.4985 150 E 4.8261 10.0510 129.0569 54.6295 31.8911 174.3119 151 K 5.0414 8.8686 127.6280 55.3381 34.2003 174.9159 152 I 5.2017 9.1373 129.2076 59.7623 39.5517 174.5912 153 M 5.2958 9.4284 124.8566 52.4893 34.4759 173.1249 154 P 4.5246 0.0000 0.0000 62.9890 32.7154 175.6792 155 V 4.3433 8.7988 123.4266 60.2957 33.0852 173.3806 156 P 4.4324 0.0000 0.0000 64.1319 31.4778 176.4882 157 K 4.0630 8.9908 120.4723 56.8514 29.2642 176.4257 158 Q 4.4233 7.7343 116.5279 54.3928 30.8038 176.5332 159 G 4.0046 8.5395 104.7057 45.8113 0.0000 172.5383 160 I 4.8785 7.4409 111.9220 58.7302 41.6045 173.7094 161 L 5.0573 8.8484 121.9910 52.8670 44.7728 175.8232 162 K 4.9909 9.4251 122.4519 54.6486 35.0259 175.4046 163 G 4.8533 8.9869 111.3267 43.7405 0.0000 171.7278 164 D 5.3762 9.0915 123.0252 52.4187 44.7401 174.5300 165 V 4.6860 8.7060 125.4708 60.3219 35.1725 173.7542 166 S 4.6247 8.6558 120.0980 57.5241 62.8727 172.8633 167 M 4.5677 8.2189 127.3079 53.8268 34.9973 174.8764 168 Y 5.3273 8.4806 117.5465 56.3865 42.2040 173.9973 169 L 4.5941 9.3067 127.1540 53.7309 43.9809 175.4304 170 L 4.7365 9.6324 127.3971 54.5142 43.2691 175.8743 171 L 4.6544 8.8444 124.0645 53.7095 42.7813 177.5953 172 K 3.7777 9.1415 125.1996 59.9288 32.0857 178.8212 173 D 4.5202 8.0093 114.6643 53.2341 39.0154 175.1730 174 G 3.8840 8.9559 111.2846 46.4976 0.0000 175.0752 175 G 4.0106 8.6443 104.7782 45.2018 0.0000 172.5581 176 R 5.1957 8.0310 117.2662 54.6889 33.0696 175.5458 177 Y 5.1097 8.7997 121.5208 56.2411 42.0139 174.0488 178 R 4.4835 9.3521 128.2446 55.6573 32.1125 174.6816 179 C 4.7958 8.4492 125.1713 57.7447 35.3189 172.0788 180 Q 4.5246 9.1016 128.1975 54.9149 30.4659 173.9659 181 F 5.0440 9.0882 125.8553 56.0758 41.6423 174.8996 182 D 5.0093 8.2685 121.2250 53.3982 44.5970 174.4876 183 T 4.9242 8.6326 120.3762 61.4260 72.4260 173.5813 184 V 4.5556 8.4188 124.2298 61.4387 34.2785 173.7180 185 Y 5.3409 9.6376 127.3537 56.4468 40.3789 174.9851 186 K 5.1649 9.5769 123.6440 54.2869 35.4379 175.7128 187 A 4.6511 9.9859 128.4472 51.7184 19.0843 178.5816 188 K 4.2559 8.4916 119.9570 58.3664 32.4174 177.4151 189 S 4.5517 7.4022 111.1935 55.9011 65.5014 173.4678 190 V 3.6389 8.3555 126.0777 62.3246 31.3745 174.0894 191 P 4.4415 0.0000 0.0000 62.3375 32.0439 176.7821 192 S 4.2327 8.5855 115.2406 60.2924 63.4675 174.4696 193 K 4.6592 7.6537 118.3720 54.7193 34.3064 175.3689 194 M 4.7989 8.1378 120.1838 52.9941 35.7203 173.6945 195 P 4.3734 0.0000 0.0000 62.6502 32.1836 175.7244 196 E 4.4237 8.2339 119.2993 54.7078 30.7051 176.3644 197 W 4.7419 8.3851 117.8052 57.7706 29.0353 175.1379 198 H 4.3869 9.4640 116.5216 54.9614 31.6424 171.6651 199 F 5.8101 9.3608 115.9471 56.2924 42.5754 174.8719 200 I 4.8994 9.0973 121.7137 59.8196 40.8462 174.3083 201 Q 5.0717 9.0548 126.2697 54.6877 31.1131 174.5545 202 H 5.3650 9.1370 119.9887 54.2556 33.1478 173.1564 203 K 5.0272 8.7532 121.2667 55.1415 33.6034 172.8177 204 L 5.1025 8.3357 126.1041 53.3542 43.5845 175.0401 205 L 5.2567 8.8360 125.2787 53.0291 45.9757 175.4198 206 R 5.2513 9.7959 121.4969 54.6743 33.5916 174.7415 207 E 4.5745 9.1818 122.7278 54.5956 32.2919 174.3473 208 D 4.8376 8.7803 124.4387 54.4228 42.2504 176.3419 209 R 4.7630 8.6876 120.1871 56.6657 32.8191 175.8188 210 S 4.5990 8.5167 115.5321 58.7931 62.9501 173.4660 211 D 4.7603 8.8467 120.5913 51.4278 42.1501 176.4109 212 A 4.0265 8.7615 121.8571 53.4051 18.2994 177.9036 213 K 4.5609 9.4082 115.5834 55.9434 33.9772 175.9097 214 N 4.2347 7.4715 114.5109 53.5715 41.9207 173.0329 215 Q 4.7557 8.1249 125.1896 54.9971 30.0536 174.2470 216 K 5.2231 8.3990 125.3872 55.2575 36.7342 174.8374 217 W 5.1304 8.4639 116.9847 56.0176 32.0404 172.6220 218 Q 5.0817 9.2273 121.9486 54.3478 31.4816 174.1774 219 L 5.4976 8.9506 124.7295 53.3234 46.0596 175.3526 220 T 5.1796 8.6272 114.9016 60.7089 71.3882 172.2037 221 E 5.4834 9.1503 126.8359 55.0908 34.1463 173.1999 222 H 5.6286 8.9655 124.7099 54.6084 33.3485 171.6505 223 A 5.1296 9.3973 127.1030 50.3453 22.9461 174.5857 224 I 4.4682 8.4677 121.5837 59.1353 40.8726 174.6752 225 A 4.4490 7.9596 129.3453 51.4984 19.3304 176.4598 226 F 5.1087 9.5222 119.9063 55.4303 44.1763 172.0393 227 P 4.9100 0.0000 0.0000 60.8024 33.6319 175.2329 228 S 4.3724 8.0764 114.7963 58.7665 62.6152 173.8300 229 A 4.3085 8.8851 130.7410 53.3564 18.0004 177.9055 230 L 4.2913 7.8341 124.1658 55.4033 41.0157 180.6517 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 4 S 8.32 4.39 0.00 3.84 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 5 K 7.34 4.57 0.00 2.26 1.87 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.48 7.81 6 H 9.23 4.53 0.00 3.33 3.41 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.99 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 0.00 0.00 0.00 8 L 8.06 4.81 0.00 1.87 1.58 0.67 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.13 4.99 0.00 1.83 1.75 0.00 1.73 0.00 0.00 2.02 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.56 7.81 10 E 8.76 3.99 0.00 2.15 2.17 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 2.29 2.27 0.00 11 E 7.97 4.94 0.00 2.28 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 2.22 2.18 0.00 12 M 8.93 5.22 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 13 T 8.59 5.28 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 1.23 0.00 0.00 14 M 8.72 5.09 0.00 2.13 1.88 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 2.67 2.74 0.00 15 K 8.28 4.97 0.00 1.64 1.80 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.03 7.81 16 Y 8.96 5.30 0.00 3.15 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 17 H 9.36 5.26 0.00 3.26 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 9.42 5.16 0.00 2.34 1.82 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 19 E 8.83 4.98 0.00 1.91 1.71 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 2.17 2.29 0.00 20 G 8.14 4.61 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 0.00 21 C 8.31 4.75 0.00 2.91 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 22 V 9.26 4.82 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 0.73 0.00 0.00 0.87 0.00 0.00 23 N 10.02 4.30 0.00 2.94 2.93 0.00 0.00 7.10 7.20 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 24 G 8.32 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 25 H 8.92 4.75 0.00 3.39 3.60 0.00 5.78 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.66 4.85 0.00 1.65 1.69 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.56 7.81 27 F 7.89 5.03 0.00 3.41 3.33 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 28 V 9.44 5.03 2.17 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 1.04 0.00 0.00 1.11 0.00 0.00 29 I 9.46 5.34 2.27 0.00 0.00 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 1.45 0.93 0.95 0.00 0.00 30 T 8.84 5.33 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 1.33 0.00 0.00 31 G 9.31 4.51 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 0.00 0.00 0.00 32 E 8.18 5.77 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 33 G 8.38 4.75 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 34 I 7.89 5.11 1.89 0.00 0.00 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 1.27 0.63 0.89 0.00 0.00 35 G 8.53 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 0.00 0.00 0.00 36 Y 8.92 5.62 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 3.99 0.00 1.38 1.49 0.00 3.95 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.90 0.00 38 F 8.23 4.36 0.00 3.15 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 39 K 8.91 4.34 0.00 2.00 1.97 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.60 7.81 40 G 8.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.17 5.50 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.63 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.45 1.70 7.81 42 Q 8.95 4.82 0.00 1.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 43 T 8.54 4.95 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 1.24 0.00 0.00 44 I 8.77 4.88 1.51 0.00 0.00 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 0.97 0.25 0.31 0.00 0.00 45 N 9.15 5.13 0.00 2.51 2.55 0.00 0.00 7.15 6.82 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 46 L 8.40 4.45 0.00 0.27 0.13 -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.99 4.74 0.00 2.83 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 48 V 8.56 4.30 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 0.93 0.00 0.00 1.21 0.00 0.00 49 I 8.36 4.05 1.94 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 1.39 0.96 0.96 0.00 0.00 50 E 8.60 4.50 0.00 2.01 1.88 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 2.28 2.32 0.00 51 G 9.47 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.67 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.53 0.00 2.07 1.99 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 54 L 8.96 3.68 0.00 0.66 0.13 0.48 0.73 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 55 P 0.00 4.34 0.00 2.13 2.07 0.00 3.10 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 56 F 6.23 4.93 0.00 2.70 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 57 S 8.42 3.93 0.00 3.80 3.63 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 58 E 8.25 3.53 0.00 1.16 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 1.62 1.78 0.00 59 D 8.12 4.48 0.00 2.48 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 60 I 7.27 4.43 2.22 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.21 0.74 0.00 0.00 61 L 8.13 3.87 0.00 2.15 1.87 1.08 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.34 4.45 0.00 4.55 4.28 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 63 A 8.37 4.39 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 64 G 8.57 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 0.00 0.00 0.00 0.00 65 F 7.99 4.54 0.00 3.23 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *69 D 7.83 4.69 0.00 3.14 3.12 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 0.00 0.00 0.00 70 R 8.35 3.77 0.00 0.67 0.66 0.00 3.11 0.00 0.00 2.76 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.00 71 I 8.55 3.68 1.66 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.36 1.13 0.00 0.00 72 F 7.69 4.58 0.00 3.29 3.13 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 73 T 7.15 4.83 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 0.87 0.00 0.00 74 E 8.84 4.46 0.00 2.22 1.71 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 2.32 2.59 0.00 75 Y 8.51 4.92 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.51 0.00 2.37 2.18 0.00 3.69 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 2.04 0.00 77 Q 8.76 4.01 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 78 D 8.16 4.45 0.00 2.76 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 79 I 7.11 4.37 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 1.11 0.62 0.89 0.00 0.00 80 V 8.26 3.49 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 0.64 0.00 0.00 0.87 0.00 0.00 81 D 7.89 3.47 0.00 2.17 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 0.00 0.00 0.00 0.00 82 Y 7.51 3.62 0.00 2.45 1.72 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 83 F 6.93 3.88 0.00 3.00 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 84 K 8.45 3.78 0.00 1.54 1.56 0.00 1.19 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.21 1.71 7.81 85 N 7.64 4.38 0.00 2.40 2.70 0.00 0.00 7.01 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 86 S 7.49 4.44 0.00 4.11 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 87 C 7.18 4.80 0.00 3.05 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 88 P 0.00 4.59 0.00 2.39 2.31 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 89 A 7.98 3.93 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 90 G 10.57 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 0.00 0.00 0.00 0.00 91 Y 7.94 4.82 0.00 3.49 3.15 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 92 T 8.91 5.51 4.26 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 1.23 0.00 0.00 93 W 7.97 5.75 0.00 3.42 3.44 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 94 G 9.11 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.07 5.18 0.00 1.88 1.93 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 96 S 8.60 5.26 0.00 3.92 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 97 F 10.03 4.74 0.00 2.78 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 98 L 8.56 4.83 0.00 1.50 1.57 0.89 0.85 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 99 F 8.91 4.82 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 0.00 100 E 9.08 4.21 0.00 2.17 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 2.55 2.55 0.00 101 D 8.51 4.92 0.00 2.89 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.01 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 0.00 0.00 0.00 103 A 7.49 4.07 0.11 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 0.00 104 V 8.62 5.00 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 1.01 0.00 0.00 0.99 0.00 0.00 105 C 9.36 5.34 0.00 2.54 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 0.00 0.00 0.00 106 I 8.72 5.27 1.75 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 1.10 0.65 0.90 0.00 0.00 107 C 9.48 5.15 0.00 3.12 3.06 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 0.00 0.00 0.00 0.00 108 N 8.58 5.11 0.00 2.66 2.44 0.00 0.00 6.37 7.01 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 0.00 109 V 8.11 4.65 0.74 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 0.79 0.00 0.00 -0.14 0.00 0.00 110 D 8.86 4.77 0.00 2.65 2.43 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 0.00 111 I 8.60 4.92 1.86 0.00 0.00 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 1.01 0.22 1.14 0.00 0.00 112 T 9.02 4.74 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 113 V 8.59 4.04 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 0.77 0.00 0.00 0.97 0.00 0.00 114 S 9.21 3.92 0.00 4.52 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 0.00 115 V 9.07 3.24 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 0.81 0.00 0.00 0.97 0.00 0.00 116 K 8.39 4.28 0.00 1.89 1.94 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 117 E 7.73 4.22 0.00 2.19 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 2.36 2.32 0.00 118 N 7.97 4.21 0.00 3.03 2.85 0.00 0.00 6.40 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 0.00 119 C 7.77 5.21 0.00 2.85 2.58 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 0.00 0.00 0.00 120 I 8.94 4.31 1.91 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 1.23 0.63 0.97 0.00 0.00 121 Y 8.80 4.96 0.00 3.03 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 0.00 122 H 8.81 5.40 0.00 3.28 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 9.25 5.08 0.00 1.64 1.69 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.49 7.81 124 S 9.07 5.68 0.00 3.74 3.81 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 0.00 125 I 7.99 5.05 1.81 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 1.30 0.89 0.89 0.00 0.00 126 F 9.21 5.14 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.55 5.51 0.00 2.50 2.57 0.00 0.00 6.27 7.50 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 0.00 128 G 9.14 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 M 8.98 5.09 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 130 N 8.72 4.35 0.00 2.88 3.01 0.00 0.00 6.79 8.13 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 0.00 131 F 8.27 4.56 0.00 3.30 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.21 0.00 2.20 2.03 0.00 3.72 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 133 A 8.82 4.03 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 0.00 134 D 8.02 4.86 0.00 2.65 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 0.00 135 G 7.78 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 0.00 136 P 0.00 4.18 0.00 1.87 2.06 0.00 3.27 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.54 0.00 137 V 7.29 3.35 1.76 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 0.12 0.00 0.00 0.75 0.00 0.00 138 M 7.81 4.04 0.00 2.01 2.33 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 2.73 2.73 0.00 139 K 8.09 4.23 0.00 1.71 1.76 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.59 7.81 140 K 7.59 3.65 0.00 1.72 1.69 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.42 7.81 141 M 8.13 4.58 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 142 T 7.72 4.89 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 1.09 0.00 0.00 143 T 8.54 4.39 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 1.18 0.00 0.00 144 N 7.58 4.85 0.00 2.65 2.80 0.00 0.00 6.97 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 0.00 145 W 8.67 4.79 0.00 3.20 3.12 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 0.00 0.00 0.00 146 E 9.59 4.44 0.00 2.08 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 2.36 2.31 0.00 147 A 8.66 4.53 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.93 4.69 0.00 3.83 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 0.00 149 C 8.49 5.09 0.00 2.82 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 0.00 150 E 10.05 4.83 0.00 2.02 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 2.46 0.00 151 K 8.87 5.04 0.00 2.10 1.71 0.00 1.51 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.33 7.81 152 I 9.14 5.20 1.53 0.00 0.00 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 1.31 0.71 0.95 0.00 0.00 153 M 9.43 5.30 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 154 P 0.00 4.52 0.00 2.11 2.20 0.00 3.83 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 2.05 2.21 0.00 155 V 8.80 4.34 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 0.98 0.00 0.00 0.93 0.00 0.00 156 P 0.00 4.43 0.00 2.22 2.07 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 157 K 8.99 4.06 0.00 1.96 2.03 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.45 7.81 158 Q 7.73 4.42 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 159 G 8.54 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 0.00 0.00 0.00 160 I 7.44 4.88 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 1.05 0.00 0.00 161 L 8.85 5.06 0.00 1.20 1.73 0.22 0.21 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 0.00 162 K 9.43 4.99 0.00 1.62 1.68 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.49 7.81 163 G 8.99 4.85 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 0.00 164 D 9.09 5.38 0.00 2.70 2.48 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 0.00 165 V 8.71 4.69 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 0.63 0.00 0.00 0.71 0.00 0.00 166 S 8.66 4.62 0.00 3.81 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 0.00 167 M 8.22 4.57 0.00 1.49 1.25 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.66 0.00 168 Y 8.48 5.33 0.00 3.00 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 0.00 169 L 9.31 4.59 0.00 1.20 1.58 -0.20 0.31 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 0.00 170 L 9.63 4.74 0.00 1.71 1.57 0.96 0.55 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 0.00 171 L 8.84 4.65 0.00 1.77 1.55 0.94 0.93 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 0.00 172 K 9.14 3.78 0.00 1.70 1.87 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.36 7.81 173 D 8.01 4.52 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 0.00 174 G 8.96 3.88 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 0.00 0.00 0.00 175 G 8.64 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 0.00 0.00 0.00 176 R 8.03 5.20 0.00 1.83 2.14 0.00 2.59 0.00 0.00 2.78 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 177 Y 8.80 5.11 0.00 3.03 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 0.00 178 R 9.35 4.48 0.00 2.04 1.65 0.00 3.20 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.00 179 C 8.45 4.80 0.00 2.85 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 0.00 180 Q 9.10 4.52 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 181 F 9.09 5.04 0.00 2.86 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 0.00 182 D 8.27 5.01 0.00 2.56 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 0.00 0.00 0.00 0.00 183 T 8.63 4.92 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 184 V 8.42 4.56 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 1.01 0.00 0.00 0.89 0.00 0.00 185 Y 9.64 5.34 0.00 2.94 3.26 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 0.00 186 K 9.58 5.16 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 187 A 9.99 4.65 0.90 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 0.00 188 K 8.49 4.26 0.00 1.82 1.92 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.47 7.81 189 S 7.40 4.55 0.00 3.82 3.63 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 0.00 190 V 8.36 3.64 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 0.95 0.00 0.00 191 P 0.00 4.44 0.00 2.45 1.81 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 192 S 8.59 4.23 0.00 3.98 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 0.00 193 K 7.65 4.66 0.00 1.68 1.70 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.32 7.81 194 M 8.14 4.80 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 195 P 0.00 4.37 0.00 2.18 2.21 0.00 3.75 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 1.95 1.88 0.00 196 E 8.23 4.42 0.00 1.87 1.79 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 2.27 2.25 0.00 197 W 8.39 4.74 0.00 3.44 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 H 9.46 4.39 0.00 3.33 3.27 0.00 5.20 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 9.36 5.81 0.00 3.30 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 0.00 200 I 9.10 4.90 1.83 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 1.12 0.98 0.62 0.00 0.00 201 Q 9.05 5.07 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 202 H 9.14 5.36 0.00 2.99 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.75 5.03 0.00 1.89 1.71 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 204 L 8.34 5.10 0.00 1.77 1.74 1.05 1.23 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 0.00 205 L 8.84 5.26 0.00 1.68 1.55 0.97 0.70 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 0.00 206 R 9.80 5.25 0.00 1.83 1.77 0.00 3.00 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 207 E 9.18 4.57 0.00 2.05 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 2.22 2.29 0.00 208 D 8.78 4.84 0.00 2.64 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 0.00 209 R 8.69 4.76 0.00 1.71 1.86 0.00 3.43 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 210 S 8.52 4.60 0.00 3.90 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 0.00 211 D 8.85 4.76 0.00 2.77 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 0.00 212 A 8.76 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 9.41 4.56 0.00 1.65 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.42 7.81 214 N 7.47 4.23 0.00 2.88 2.68 0.00 0.00 6.68 8.14 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 0.00 215 Q 8.12 4.76 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 216 K 8.40 5.22 0.00 1.80 1.78 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.56 1.50 7.81 217 W 8.46 5.13 0.00 3.46 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 Q 9.23 5.08 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 219 L 8.95 5.50 0.00 1.51 1.56 1.04 0.66 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 0.00 220 T 8.63 5.18 4.28 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 1.26 0.00 0.00 221 E 9.15 5.48 0.00 2.09 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 2.29 2.18 0.00 222 H 8.97 5.63 0.00 3.28 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 A 9.40 5.13 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 0.00 224 I 8.47 4.47 1.58 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 1.16 0.51 -0.32 0.00 0.00 225 A 7.96 4.45 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 0.00 226 F 9.52 5.11 0.00 3.02 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 0.00 227 P 0.00 4.91 0.00 1.99 1.95 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 228 S 8.08 4.37 0.00 4.02 3.70 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 0.00 229 A 8.89 4.31 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 0.00 230 L 7.83 4.29 0.00 1.70 1.44 0.92 0.85 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 * Residues marked with a * may have inaccurate shift predictions.