NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2852 7.8827 121.4461 61.1574 38.8190 173.7773 17 V 4.3130 8.5919 125.4264 61.5793 33.1153 174.2197 18 G 3.8413 9.0371 115.0392 46.6378 0.0000 172.9557 19 G 4.3037 7.8583 110.5035 43.6975 0.0000 172.4252 20 Y 4.9703 7.8855 116.5985 55.1225 42.2383 174.7965 21 T 4.3076 8.5960 116.8979 63.9515 68.4446 175.1992 22 C 4.2803 8.7581 125.4785 61.2036 37.2450 174.4282 23 G 4.1865 8.6352 105.6015 43.4566 0.0000 172.9846 24 A 4.0968 8.6810 124.7109 53.8074 18.6294 177.2868 25 N 4.2021 8.7494 120.6257 54.4760 36.3535 175.1989 26 T 4.2698 7.4700 106.9026 62.2550 70.1730 175.1537 27 V 4.0599 7.0002 122.3260 60.1555 31.3792 173.6729 28 P 4.4358 0.0000 0.0000 64.5267 32.0337 178.1954 29 Y 5.1919 6.9105 115.5248 56.5096 38.7050 174.5440 30 Q 4.6232 7.3410 123.3545 56.2920 29.6745 175.3886 31 V 4.8940 9.0028 118.5913 59.6415 36.3102 174.1733 32 S 4.8843 8.8002 116.8936 56.5824 65.0744 172.5798 33 L 4.7808 8.4527 127.2755 53.1555 43.6295 174.9805 34 N 5.9755 9.0505 122.1565 50.0058 42.2294 174.9136 *37 S 4.3280 8.4561 120.4015 58.4397 64.1514 174.4817 38 G 3.9405 9.4746 108.8522 46.2114 0.0000 172.9216 39 Y 4.5156 6.3930 115.2731 56.2160 40.0621 172.6346 40 H 4.7651 8.8401 121.4889 56.0920 30.4006 174.7337 41 F 5.0944 7.8372 119.6079 56.7841 39.5208 173.7365 42 C 4.7824 6.8874 115.0602 56.2637 44.7430 173.1139 43 G 4.3739 8.7120 109.2894 45.4044 0.0000 172.2767 44 G 4.4825 8.1347 105.7604 46.3233 0.0000 172.5773 45 S 5.4478 8.8368 115.3910 56.4493 66.9913 173.5609 46 L 4.6971 9.1217 127.0974 54.6633 42.4667 177.0895 47 I 4.4152 8.4306 119.6046 61.0734 38.9991 174.6390 48 N 4.5232 7.7109 117.2169 51.9969 39.2963 175.1700 49 S 4.1636 8.5244 112.9548 60.8775 62.9077 175.6628 50 Q 4.4759 8.1850 117.3677 55.2187 30.1362 174.5594 51 W 5.5166 8.0913 118.0751 54.7889 33.5866 174.4214 52 V 5.1780 9.1037 122.2702 61.1019 34.8048 174.4417 53 V 4.9592 8.8131 125.9150 60.4845 33.8361 174.8510 54 S 5.0954 8.9907 116.6709 57.7724 66.1136 172.0278 55 A 4.6766 8.5198 120.4734 50.6384 20.5337 178.4809 56 A 3.8463 8.2730 124.1990 55.2458 18.4780 179.1880 57 H 4.5515 8.4392 109.4679 57.2834 28.6513 175.2480 58 C 4.7649 7.8185 117.1947 56.9298 40.4916 173.2478 59 Y 4.2589 7.6817 122.2910 57.8798 38.7158 175.3231 60 K 3.8956 7.2456 124.0987 55.4263 36.2520 174.9804 61 S 4.4320 7.9199 116.2149 58.1017 65.1212 174.0101 62 G 3.5615 8.4376 108.6252 46.4052 0.0000 173.4909 63 I 4.6423 7.1666 118.6410 59.5017 40.4335 176.2545 64 Q 4.8015 8.6892 127.0972 54.2328 31.9380 174.0910 65 V 4.4999 8.9688 126.6669 61.6500 33.7659 174.5844 66 R 5.2444 8.9729 126.8128 54.6772 32.7883 174.8871 67 L 4.7808 9.1807 124.7335 52.7013 44.8181 177.2091 *69 G 4.4624 8.2343 106.1659 46.3354 0.0000 172.7275 70 E 4.6876 8.4474 118.7728 55.1721 30.6027 174.2478 71 D 4.7683 7.9770 117.0923 55.2150 43.5406 174.2906 72 N 4.8708 8.4611 116.2637 53.1669 39.7382 175.8703 73 I 4.0662 8.6125 119.5252 61.9547 37.9722 176.0769 74 N 4.8046 8.8572 118.0544 53.0178 39.1914 174.6660 75 V 4.2997 7.3575 116.8857 60.7932 34.3233 175.0137 76 V 4.1366 8.4464 126.9472 62.4642 30.9130 175.2333 77 E 4.3302 9.1911 127.5566 55.7595 29.9706 177.0168 78 G 4.0370 7.9744 106.8197 45.4292 0.0000 174.4794 79 N 4.8988 8.2427 115.5703 53.0713 39.9276 174.5106 80 E 5.4120 7.8296 118.1364 55.4245 31.2050 175.9630 81 Q 4.3471 8.3902 119.5005 54.2740 33.0170 173.9479 82 F 5.6243 8.8324 122.6771 55.9895 41.1605 174.9471 83 I 4.6934 8.9140 125.0138 59.4126 40.9063 175.7269 84 S 4.6682 8.6535 121.6398 58.1874 64.3659 173.1799 85 A 4.6999 8.2691 124.5088 51.8384 18.7366 177.6516 86 S 4.6291 8.9022 115.9839 59.5549 64.7811 174.4927 87 K 4.6827 7.4791 117.0689 55.8504 35.4740 174.9095 88 S 5.3144 8.7094 116.7245 57.0045 66.8834 173.7655 89 I 4.6340 9.1088 123.7120 59.7444 40.3997 174.8628 90 V 4.3065 8.4844 127.2819 61.7017 32.9520 175.2806 91 H 3.5266 8.4846 126.0632 55.4268 30.0950 174.4786 92 P 4.2536 0.0000 0.0000 65.4619 30.9212 177.0439 93 S 4.7133 7.7918 112.6202 58.0308 62.9494 173.2405 94 Y 4.3329 8.0014 122.8848 57.6447 39.0982 174.5112 95 N 4.5733 8.0992 125.3088 51.3177 40.0408 175.1095 96 S 3.9049 7.7034 120.4408 59.9548 63.5934 175.5243 97 N 4.3522 8.2906 119.2172 55.7943 38.3659 176.1162 98 T 4.0021 7.6795 104.9397 60.6830 69.9235 174.7427 99 L 3.7744 7.7369 120.9059 55.6015 39.7061 173.8988 100 N 4.4884 7.6428 117.5714 54.5550 39.7299 174.4526 101 N 4.6212 8.6683 119.8211 54.1789 35.7082 175.8890 102 D 4.6720 7.8215 117.8765 52.8417 39.9394 175.0695 103 I 4.8068 7.1221 120.9080 59.5325 42.2214 172.7295 104 M 5.4290 9.1593 126.1678 54.3689 36.3426 173.1587 105 L 5.4424 9.1901 123.1536 53.1013 45.2845 175.5298 106 I 5.0187 9.0992 123.3020 59.4736 40.7535 174.2652 107 K 3.8368 8.7094 128.6893 54.4348 33.9098 175.4000 108 L 4.5839 7.9144 126.8876 54.0319 42.1563 177.4575 109 K 4.1384 8.9400 122.2300 58.8756 32.5060 177.7232 110 S 4.6416 7.7345 113.2190 56.1418 66.7514 173.3014 111 A 4.4402 8.3434 124.1436 51.8385 18.9468 177.4106 112 A 4.3684 8.7516 123.3615 51.8282 19.9674 177.2325 113 S 4.6575 8.9797 116.1966 56.9530 63.9635 174.6338 114 L 4.5193 8.5310 125.6354 54.2821 42.6936 176.1623 115 N 4.8640 8.8398 118.7436 52.2422 39.7793 174.8700 116 S 4.1410 8.7253 111.6901 61.4950 63.0832 175.2896 117 R 4.1788 8.7725 118.8700 56.6722 30.5439 176.3580 118 V 4.4277 7.8404 117.5029 60.9125 33.4524 173.7566 119 A 5.1935 8.5181 128.0744 50.4362 23.1228 174.7574 120 S 5.1539 8.6699 113.7347 57.2313 65.4460 173.0470 121 I 4.4967 8.2176 120.4137 59.1588 39.7929 175.3983 122 S 4.4386 8.3633 123.0028 58.0565 63.7584 173.8302 123 L 4.4118 8.0680 123.1276 53.0900 42.6861 175.1827 124 P 4.5369 0.0000 0.0000 62.9478 32.2011 176.2006 125 T 4.1340 8.2317 108.7368 62.5466 69.9941 174.5797 *127 S 4.3384 7.5538 114.4951 58.1065 64.0633 173.5538 128 C 4.5036 8.3596 117.2556 56.1789 40.9472 173.5819 129 A 4.4952 7.9439 124.8007 51.1764 19.9047 177.7334 130 S 4.1439 8.0946 115.8792 58.0494 63.9022 173.6460 *132 A 4.1434 8.2102 124.7233 53.4574 19.2637 177.1208 133 G 3.9946 8.8749 110.2370 45.3640 0.0000 174.4516 134 T 4.0456 7.5757 117.1466 63.7019 69.4861 173.7668 135 Q 4.7714 8.5353 124.5109 55.3836 30.3733 175.5026 136 C 5.2339 9.1711 119.6082 55.1409 46.7875 172.3003 137 L 5.2059 9.0021 122.0392 53.5167 44.2012 174.9507 138 I 5.2255 9.1837 127.3081 58.7472 40.0149 174.8547 139 S 4.9571 8.7967 119.6077 56.3356 66.6444 173.0937 140 G 3.8281 7.5635 108.8294 46.1279 0.0000 172.7859 141 W 4.8335 8.6802 117.3611 56.3088 29.5027 177.1365 142 G 4.1196 8.2753 108.6299 43.8909 0.0000 173.6347 143 N 3.6246 8.1492 117.8997 54.3740 38.9096 174.4210 144 T 5.1215 8.1320 112.6011 60.3875 69.3785 174.0475 145 K 4.6335 7.7053 120.9324 54.8965 34.9275 176.4104 146 S 4.2746 8.8320 119.4697 61.1268 63.0307 174.8977 147 S 4.5223 8.9678 116.9379 55.3521 62.7183 173.8330 148 G 4.1472 7.1813 111.2262 44.0978 0.0000 169.3969 149 T 4.7501 7.7893 115.9264 61.7933 71.9754 174.3687 150 S 4.4413 9.4887 122.1363 57.6876 65.7282 172.0990 151 Y 4.8884 8.7253 125.8712 55.6438 39.2458 174.4606 152 P 4.7050 0.0000 0.0000 62.6723 32.8705 175.2657 153 D 4.9678 8.6660 116.5742 54.4885 43.2287 176.7486 154 V 5.3393 7.7385 110.1121 58.2713 34.7537 175.4442 155 L 3.2722 8.2990 123.9290 54.9841 42.9756 175.9174 156 K 4.9317 8.1679 124.8257 54.8132 35.2655 174.5530 157 C 5.2764 8.5804 119.8945 55.2033 42.0938 172.9622 158 L 4.9333 8.5259 122.3657 53.9658 45.5342 174.3207 159 K 5.1711 8.9448 125.4437 55.1361 33.8548 175.6776 160 A 4.8348 9.1551 125.0986 50.1349 23.1618 173.6558 161 P 5.0609 0.0000 0.0000 61.7175 34.0672 175.0655 162 I 4.3122 8.3107 122.1482 61.3556 38.1799 175.6904 163 L 4.9124 8.4712 126.4805 52.9764 43.7366 176.8176 164 S 4.3613 7.9600 113.8595 58.1864 63.8894 175.4019 165 D 4.4703 8.6844 122.0451 57.3314 40.5276 179.1678 166 S 4.1677 8.0739 114.8789 61.6161 62.8671 176.6984 167 S 4.1594 7.9019 118.1931 60.8280 62.8445 175.7272 168 C 4.3255 7.9895 121.8018 59.6992 43.2787 175.7988 169 K 4.0043 8.3828 119.0293 59.4767 31.6610 179.3401 170 S 4.2772 8.1491 114.7077 61.1911 62.7652 176.1608 171 A 4.0379 7.6231 123.2046 53.6242 19.6700 177.3229 172 Y 4.8194 7.6283 114.4980 55.0732 38.0714 172.4863 173 P 4.5589 0.0000 0.0000 63.8250 32.2609 176.9376 174 G 4.0071 9.0263 109.8730 46.3183 0.0000 173.7959 175 Q 4.5807 8.2487 116.9104 55.2530 30.6566 175.6118 176 I 4.4273 7.8641 119.3664 60.0006 38.4636 175.1064 177 T 4.6561 8.1751 114.8116 59.4696 71.2014 174.8271 178 S 4.3712 8.5596 114.5628 60.1731 63.2160 174.2868 179 N 4.9532 8.2844 118.9850 53.3779 38.4960 173.8443 180 M 5.5764 7.8069 117.2295 53.8966 36.3300 174.4428 181 F 5.0798 8.6016 114.5330 56.0240 42.1026 172.3988 182 C 5.6032 9.0759 116.3312 55.5718 41.5563 172.7492 183 A 5.0118 9.4062 122.1925 50.8234 22.4344 175.7202 184A G 3.4696 6.9076 107.1129 44.7626 0.0000 172.8733 184 Y 4.6425 8.3500 120.1117 55.9937 41.0014 176.3611 185 L 4.2022 8.6607 125.4022 57.5444 42.0736 179.3898 186 E 4.0639 8.2076 117.3997 57.5934 29.8691 176.9877 187 G 3.7689 7.9579 105.0890 44.4292 0.0000 171.8994 188A G 4.1387 8.9717 106.7197 44.6778 0.0000 174.2749 188 K 4.8784 7.1904 117.5540 54.6536 35.1843 175.5691 189 D 4.6166 8.7422 123.1345 53.9625 45.7524 174.8459 190 S 4.8589 8.7171 116.8554 58.0185 65.4425 172.7151 191 C 4.7144 9.0912 118.5238 55.5639 47.6687 172.1613 192 Q 4.3167 8.5168 121.6240 57.8871 28.7962 176.6797 193 G 4.2900 9.2774 112.6180 45.9275 0.0000 174.1277 194 D 4.6956 8.4985 118.5774 55.2662 41.7563 176.6754 195 S 4.4477 8.0659 115.0875 60.4360 63.2577 175.6021 196 G 4.0897 8.9078 112.7715 46.3799 0.0000 173.6663 197 G 4.3371 7.8889 107.6397 44.9957 0.0000 171.2407 198 P 5.1654 0.0000 0.0000 62.3294 33.5859 175.7155 199 V 4.6061 8.4618 120.5714 61.4541 34.4520 174.0713 200 V 4.8897 8.7201 128.7670 61.2574 34.0830 173.6720 201 C 5.1235 8.7985 124.5661 55.7960 43.9702 174.5938 202 S 3.7195 9.8114 119.6373 59.7199 60.1717 173.1542 203 G 3.9201 8.3676 103.8190 45.7467 0.0000 173.7639 204 K 4.7085 7.6247 117.6374 52.9172 35.4409 175.5074 *209 L 4.2877 8.2726 122.3084 55.4799 42.3416 175.9505 210 Q 4.5981 8.8290 125.5676 56.4106 31.1564 175.7049 211 G 5.3433 7.9903 104.6370 45.8744 0.0000 171.4731 212 I 5.2000 8.1820 119.3466 58.9254 41.3584 175.2133 213 V 3.6837 8.9243 127.2284 63.9818 31.7982 174.3418 214 S 4.8138 8.4727 120.9749 58.8177 64.2341 174.3501 215 W 4.9792 7.4401 114.5134 56.7278 31.7542 172.1079 216 G 3.7460 8.1048 105.6074 47.0283 0.0000 172.3605 217 S 4.7285 8.2769 114.5083 56.4794 63.4311 172.3790 *219 G 4.4766 8.0767 118.6999 45.6255 0.0000 171.1406 220 C 4.9462 8.2069 116.6228 56.5761 42.9377 173.7706 221A A 3.9916 9.1410 125.7562 53.1851 16.2156 177.1727 221 Q 4.5501 7.3086 117.5898 56.3817 29.7803 175.9487 222 K 4.1770 8.4082 121.5504 57.8311 32.7631 176.0691 223 N 4.2775 9.1854 121.5677 54.1969 37.0599 175.3927 224 K 4.3944 7.4820 114.3866 54.0033 32.5240 174.1131 225 P 4.5889 0.0000 0.0000 61.9373 33.0623 177.1963 226 G 3.7071 8.1837 105.1138 46.0418 0.0000 172.7103 227 V 4.4418 7.6754 121.3454 60.6649 34.1154 174.0461 228 Y 4.9698 8.1942 124.7843 55.9404 41.6436 175.2039 229 T 4.3148 8.5809 119.9885 63.6971 70.0946 174.2936 230 K 5.0924 9.2239 128.0961 55.0786 31.1179 177.0530 231 V 3.9702 8.7655 125.5264 65.9226 31.4080 174.7871 232 C 4.3829 8.3537 112.4188 58.1424 41.4745 174.7926 233 N 4.2542 7.9929 117.2545 54.3708 38.5800 175.0621 234 Y 4.8430 7.9507 117.6886 57.6067 39.1097 177.5465 235 V 3.6838 8.0793 121.5827 66.3461 31.5063 178.0773 236 S 4.1168 8.1017 114.2888 61.2871 62.6724 176.3137 237 W 4.1416 8.2754 130.5316 60.4499 30.4752 177.8135 238 I 2.9634 8.2816 120.0505 64.2501 36.4605 178.5041 239 K 3.7481 8.0840 119.3351 59.5764 31.6174 179.5285 240 Q 3.8814 7.8258 117.3031 59.1007 28.8064 178.5238 241 T 3.7444 7.5538 117.1533 66.4504 68.0242 176.9327 242 I 2.4530 7.3192 115.0227 63.2141 37.1925 177.8793 243 A 4.0693 7.3739 121.2136 53.7647 18.2763 178.5894 244 S 4.6772 7.2274 111.8187 58.2625 63.3912 173.9852 245 N 4.7023 7.8631 125.0291 53.5775 39.4367 174.1150 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 16 I 7.88 4.29 1.79 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 1.49 0.64 0.91 0.00 0.00 17 V 8.59 4.31 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 1.03 0.00 0.00 0.88 0.00 0.00 18 G 9.04 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 19 G 7.86 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 0.00 0.00 0.00 0.00 20 Y 7.89 4.97 0.00 2.99 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 21 T 8.60 4.31 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 1.23 0.00 0.00 22 C 8.76 4.28 0.00 2.74 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 23 G 8.64 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 0.00 0.00 0.00 24 A 8.68 4.10 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 25 N 8.75 4.20 0.00 2.82 2.88 0.00 0.00 7.27 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 26 T 7.47 4.27 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 1.31 0.00 0.00 27 V 7.00 4.06 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 0.30 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.44 0.00 2.36 2.39 0.00 3.60 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 2.17 1.99 0.00 29 Y 6.91 5.19 0.00 3.23 3.36 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 30 Q 7.34 4.62 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.50 0.00 0.00 0.00 0.00 0.00 1.87 2.49 0.00 31 V 9.00 4.89 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 0.91 0.00 0.00 1.01 0.00 0.00 32 S 8.80 4.88 0.00 3.02 3.34 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 33 L 8.45 4.78 0.00 0.38 1.03 0.79 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.05 5.98 0.00 2.45 2.49 0.00 0.00 6.55 8.09 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 *37 S 8.46 4.33 0.00 3.69 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 38 G 9.47 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 39 Y 6.39 4.52 0.00 3.06 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 40 H 8.84 4.77 0.00 2.86 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.84 5.09 0.00 3.07 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 42 C 6.89 4.78 0.00 2.24 2.85 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 43 G 8.71 4.37 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 44 G 8.13 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 45 S 8.84 5.45 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.12 4.70 0.00 1.87 1.80 1.08 1.14 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 47 I 8.43 4.42 1.90 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 1.57 0.92 1.01 0.00 0.00 48 N 7.71 4.52 0.00 2.93 2.97 0.00 0.00 6.27 8.21 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 49 S 8.52 4.16 0.00 4.04 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 0.00 50 Q 8.19 4.48 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 51 W 8.09 5.52 0.00 3.12 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 52 V 9.10 5.18 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 1.18 0.00 0.00 0.98 0.00 0.00 53 V 8.81 4.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.02 0.00 0.00 54 S 8.99 5.10 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.52 4.68 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 56 A 8.27 3.85 0.23 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 57 H 8.44 4.55 0.00 3.35 3.55 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.82 4.76 0.00 3.22 3.35 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 59 Y 7.68 4.26 0.00 2.95 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 60 K 7.25 3.90 0.00 1.35 1.23 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.85 7.81 61 S 7.92 4.43 0.00 3.74 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 62 G 8.44 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 63 I 7.17 4.64 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.94 0.00 0.00 64 Q 8.69 4.80 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 65 V 8.97 4.50 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 0.92 0.00 0.00 0.90 0.00 0.00 66 R 8.97 5.24 0.00 1.70 1.85 0.00 2.69 0.00 0.00 2.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.25 0.00 67 L 9.18 4.78 0.00 1.59 1.61 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.23 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 70 E 8.45 4.69 0.00 2.21 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 2.38 2.10 0.00 71 D 7.98 4.77 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 72 N 8.46 4.87 0.00 2.83 2.79 0.00 0.00 7.24 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 73 I 8.61 4.07 1.44 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 -0.42 0.00 0.00 74 N 8.86 4.80 0.00 2.79 2.87 0.00 0.00 6.61 7.96 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 75 V 7.36 4.30 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 0.73 0.00 0.00 0.99 0.00 0.00 76 V 8.45 4.14 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 0.79 0.00 0.00 1.03 0.00 0.00 77 E 9.19 4.33 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 2.31 2.48 0.00 78 G 7.97 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 79 N 8.24 4.90 0.00 2.79 2.80 0.00 0.00 7.16 7.65 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 80 E 7.83 5.41 0.00 1.32 1.63 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 2.68 2.29 0.00 81 Q 8.39 4.35 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 82 F 8.83 5.62 0.00 2.78 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 83 I 8.91 4.69 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 1.24 0.80 0.95 0.00 0.00 84 S 8.65 4.67 0.00 3.75 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 85 A 8.27 4.70 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.90 4.63 0.00 3.75 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 87 K 7.48 4.68 0.00 1.85 1.89 0.00 1.46 0.00 0.00 1.94 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.51 7.81 88 S 8.71 5.31 0.00 3.95 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 89 I 9.11 4.63 2.09 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 1.26 0.91 1.16 0.00 0.00 90 V 8.48 4.31 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 0.61 0.00 0.00 0.78 0.00 0.00 91 H 8.48 3.53 0.00 2.73 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 2.14 2.17 0.00 2.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 93 S 7.79 4.71 0.00 3.92 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 94 Y 8.00 4.33 0.00 2.97 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 95 N 8.10 4.57 0.00 2.58 2.43 0.00 0.00 6.63 7.56 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 96 S 7.70 3.90 0.00 3.97 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 97 N 8.29 4.35 0.00 2.79 2.79 0.00 0.00 6.81 7.16 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 98 T 7.68 4.00 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 1.10 0.00 0.00 99 L 7.74 3.77 0.00 1.50 1.91 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.64 4.49 0.00 2.77 2.65 0.00 0.00 7.28 6.57 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 0.00 101 N 8.67 4.62 0.00 3.07 2.61 0.00 0.00 7.24 8.26 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 0.00 102 D 7.82 4.67 0.00 3.08 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.12 4.81 1.53 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 1.40 1.26 0.09 0.00 0.00 104 M 9.16 5.43 0.00 2.13 1.84 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 2.79 2.66 0.00 105 L 9.19 5.44 0.00 1.75 1.83 0.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.10 5.02 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.89 0.00 0.00 107 K 8.71 3.84 0.00 0.79 1.07 0.00 1.37 0.00 0.00 1.35 0.00 0.00 2.64 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.68 0.21 7.81 108 L 7.91 4.58 0.00 1.50 1.55 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.94 4.14 0.00 1.65 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.56 7.81 110 S 7.73 4.64 0.00 3.77 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 0.00 111 A 8.34 4.44 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.75 4.37 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 0.00 113 S 8.98 4.66 0.00 3.73 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 0.00 114 L 8.53 4.52 0.00 1.65 1.69 0.95 1.06 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 0.00 115 N 8.84 4.86 0.00 2.88 2.92 0.00 0.00 6.62 7.44 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 0.00 116 S 8.73 4.14 0.00 4.01 4.06 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 0.00 117 R 8.77 4.18 0.00 1.92 2.03 0.00 3.20 0.00 0.00 3.15 7.38 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.55 4.34 0.00 4.00 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 0.00 128 C 8.36 4.50 0.00 2.94 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 0.00 129 A 7.94 4.50 1.06 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 0.00 0.00 130 S 8.09 4.14 0.00 3.84 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 *132 A 8.21 4.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.87 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 0.00 134 T 7.58 4.05 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 1.14 0.00 0.00 135 Q 8.54 4.77 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 136 C 9.17 5.23 0.00 2.73 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 0.00 137 L 9.00 5.21 0.00 1.75 1.56 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.18 5.23 1.88 0.00 0.00 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 0.76 1.35 0.99 0.00 0.00 139 S 8.80 4.96 0.00 3.50 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 0.00 140 G 7.56 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.68 4.83 0.00 3.25 2.96 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 0.00 142 G 8.28 4.12 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 0.00 0.00 0.00 143 N 8.15 3.62 0.00 2.09 2.57 0.00 0.00 7.35 7.62 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 0.00 144 T 8.13 5.12 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 1.26 0.00 0.00 145 K 7.71 4.63 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.27 1.33 7.81 146 S 8.83 4.27 0.00 3.86 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 0.00 147 S 8.97 4.52 0.00 3.81 3.78 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 0.00 148 G 7.18 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 0.00 149 T 7.79 4.75 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 1.47 0.00 0.00 150 S 9.49 4.44 0.00 3.81 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 0.00 151 Y 8.73 4.89 0.00 2.96 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 0.00 152 P 0.00 4.71 0.00 2.44 2.10 0.00 4.05 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 153 D 8.67 4.97 0.00 2.67 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 5.34 2.15 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 1.02 0.00 0.00 0.98 0.00 0.00 155 L 8.30 3.27 0.00 1.34 1.25 -0.80 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.17 4.93 0.00 1.69 1.50 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 157 C 8.58 5.28 0.00 1.57 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 0.00 0.00 0.00 158 L 8.53 4.93 0.00 1.71 1.45 1.04 0.72 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 0.00 159 K 8.94 5.17 0.00 1.81 1.81 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.62 7.81 160 A 9.16 4.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 5.06 0.00 2.02 2.08 0.00 3.16 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 162 I 8.31 4.31 1.72 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.52 0.71 0.00 0.00 163 L 8.47 4.91 0.00 1.57 1.60 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.96 4.36 0.00 4.00 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 0.00 165 D 8.68 4.47 0.00 2.73 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 0.00 166 S 8.07 4.17 0.00 4.05 4.14 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 0.00 0.00 0.00 167 S 7.90 4.16 0.00 4.04 4.17 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 0.00 168 C 7.99 4.33 0.00 3.19 3.38 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 0.00 169 K 8.38 4.00 0.00 1.84 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.65 7.81 170 S 8.15 4.28 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 0.00 171 A 7.62 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.63 4.82 0.00 3.22 3.20 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 0.00 173 P 0.00 4.56 0.00 2.08 2.04 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 174 G 9.03 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 0.00 175 Q 8.25 4.58 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 176 I 7.86 4.43 1.98 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 1.87 0.95 0.99 0.00 0.00 177 T 8.18 4.66 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 1.28 0.00 0.00 178 S 8.56 4.37 0.00 4.01 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 0.00 179 N 8.28 4.95 0.00 3.08 3.10 0.00 0.00 6.63 8.03 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 0.00 180 M 7.81 5.58 0.00 1.75 1.97 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 181 F 8.60 5.08 0.00 3.06 3.08 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 0.00 182 C 9.08 5.60 0.00 2.97 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 0.00 183 A 9.41 5.01 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 0.00 0.00 0.00 0.00 0.00 184A G 6.91 3.47 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 0.00 184 Y 8.35 4.64 0.00 3.06 2.86 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 0.00 185 L 8.66 4.20 0.00 1.73 1.90 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.21 4.06 0.00 2.02 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 2.37 2.29 0.00 187 G 7.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A G 8.97 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 188 K 7.19 4.88 0.00 1.36 1.74 0.00 0.96 0.00 0.00 1.37 0.00 0.00 2.17 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.48 1.19 7.81 189 D 8.74 4.62 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.72 4.86 0.00 4.00 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 0.00 191 C 9.09 4.71 0.00 2.94 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 0.00 192 Q 8.52 4.32 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 5.44 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 193 G 9.28 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 0.00 0.00 0.00 0.00 194 D 8.50 4.70 0.00 2.99 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 0.00 195 S 8.07 4.45 0.00 3.98 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 0.00 196 G 8.91 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 0.00 197 G 7.89 4.34 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 0.00 198 P 0.00 5.17 0.00 2.30 2.34 0.00 3.70 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 2.23 2.25 0.00 199 V 8.46 4.61 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.74 0.00 0.00 200 V 8.72 4.89 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 0.80 0.00 0.00 0.61 0.00 0.00 201 C 8.80 5.12 0.00 2.79 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 0.00 202 S 9.81 3.72 0.00 3.91 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 0.00 203 G 8.37 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 0.00 0.00 0.00 204 K 7.62 4.71 0.00 1.71 1.64 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.40 7.81 *209 L 8.27 4.29 0.00 1.51 1.64 1.02 0.75 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 0.00 210 Q 8.83 4.60 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.35 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 7.99 5.34 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 0.00 212 I 8.18 5.20 1.92 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 1.30 0.81 1.01 0.00 0.00 213 V 8.92 3.68 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 0.94 0.00 0.00 1.23 0.00 0.00 214 S 8.47 4.81 0.00 3.90 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 0.00 215 W 7.44 4.98 0.00 3.30 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 0.00 216 G 8.10 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 0.00 217 S 8.28 4.73 0.00 4.25 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 *219 G 8.08 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 0.00 220 C 8.21 4.95 0.00 2.95 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 221A A 9.14 3.99 1.38 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 0.00 0.00 221 Q 7.31 4.55 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.16 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 222 K 8.41 4.18 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.54 7.81 223 N 9.19 4.28 0.00 2.79 2.80 0.00 0.00 6.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 K 7.48 4.39 0.00 1.73 1.78 0.00 1.72 0.00 0.00 1.33 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 225 P 0.00 4.59 0.00 2.24 2.11 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 226 G 8.18 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.68 4.44 0.67 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 0.25 0.00 0.00 -0.68 0.00 0.00 228 Y 8.19 4.97 0.00 1.43 2.31 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 0.00 229 T 8.58 4.31 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 1.25 0.00 0.00 230 K 9.22 5.09 0.00 2.11 1.89 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.67 7.81 231 V 8.77 3.97 2.35 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 1.15 0.00 0.00 1.12 0.00 0.00 232 C 8.35 4.38 0.00 3.17 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 7.99 4.25 0.00 2.39 2.38 0.00 0.00 6.90 7.56 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 0.00 234 Y 7.95 4.84 0.00 3.15 3.28 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 0.00 235 V 8.08 3.68 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 1.12 0.00 0.00 1.09 0.00 0.00 236 S 8.10 4.12 0.00 3.98 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 0.00 237 W 8.28 4.14 0.00 3.49 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 0.00 238 I 8.28 2.96 1.98 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 1.50 0.99 0.72 0.00 0.00 239 K 8.08 3.75 0.00 1.77 1.78 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.61 7.81 240 Q 7.83 3.88 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 241 T 7.55 3.74 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 242 I 7.32 2.45 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 -0.49 0.00 0.00 243 A 7.37 4.07 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 0.00 244 S 7.23 4.68 0.00 3.74 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 0.00 245 N 7.86 4.70 0.00 3.03 3.00 0.00 0.00 6.92 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 * Residues marked with a * may have inaccurate shift predictions.