NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.3565 8.2876 116.7526 55.6832 31.6025 175.9233 13 L 4.1653 8.1342 117.2771 56.6742 40.7571 176.8948 14 N 4.2103 8.6626 120.1370 57.2337 39.4471 177.7567 15 L 4.0826 7.6484 119.6413 57.2635 41.7107 179.2308 16 I 3.7608 6.7288 118.0316 64.5773 37.1108 177.6063 17 C 3.8463 7.7637 118.6570 62.5364 31.1164 174.9300 18 D 4.5238 7.5170 117.3748 57.4966 40.9152 177.7047 19 F 4.1431 8.9368 120.4821 61.4560 39.2778 176.6684 20 F 4.5662 9.0435 115.7040 59.0345 38.8622 177.6863 21 S 4.2154 8.4622 114.5242 60.1574 63.9480 174.4655 22 N 4.6404 7.3237 121.6134 51.9725 36.7994 174.9046 *24 E 4.4086 7.7180 118.7838 55.7849 32.2476 176.6882 25 R 4.6658 7.7801 115.0626 54.6774 33.9557 174.7165 26 Q 4.8917 8.6656 117.7677 55.6537 29.4688 175.1024 27 G 3.6102 7.4233 105.9244 43.3527 0.0000 171.2211 28 P 3.7250 0.0000 0.0000 61.2633 31.0851 176.9247 29 G 3.9272 7.2262 108.9679 45.8590 0.0000 171.0630 30 S 4.3310 7.3935 111.4852 55.8127 66.2360 174.3002 31 P 4.2747 0.0000 0.0000 65.8338 31.0599 178.6993 32 E 3.9297 8.2089 116.9433 59.5286 29.3493 179.5669 33 V 3.7866 7.9261 118.1381 66.2673 31.6989 178.1268 34 T 4.3036 8.2296 115.5513 67.0295 68.3688 176.6144 35 L 3.9904 8.2494 120.9110 57.3765 41.3386 179.4773 36 K 3.7190 8.0135 118.9781 59.2193 32.4244 178.3871 37 A 4.4005 8.2668 121.1501 55.3053 18.2319 179.3564 38 L 4.2079 8.3265 119.0291 58.2743 41.8924 179.1036 39 S 4.0852 7.7398 113.0125 60.2988 62.8836 175.3593 40 F 4.8268 7.7124 119.7031 56.6047 39.1418 175.2612 41 I 3.5377 7.4085 121.0966 59.8114 37.2703 174.8812 42 D 4.8771 8.3804 123.9887 53.1444 39.5328 176.6073 43 N 4.7899 7.9477 116.6886 54.0911 39.6338 175.3140 44 L 4.4048 7.6824 118.1533 54.3393 42.8585 175.6808 45 T 4.6882 8.7540 111.2652 59.9804 71.9039 174.2278 46 E 4.0288 8.6341 120.1107 58.1011 29.5907 177.7696 47 K 4.4779 7.7615 116.0891 56.5420 32.8533 177.0101 48 S 4.5877 8.0149 116.8297 58.6300 64.2215 173.0452 49 L 5.0381 9.5048 123.5791 53.0961 44.0684 175.5882 50 I 5.1299 8.7688 123.7561 59.3662 41.1293 174.3172 51 A 5.1481 8.8639 127.1056 50.0547 22.4906 174.4930 52 D 5.3044 9.2329 121.6007 52.7656 43.4760 174.7146 53 I 4.3403 8.9922 128.1271 60.0275 38.5599 176.3873 54 G 3.8956 8.7220 115.8670 46.8920 0.0000 174.4715 55 C 4.3654 8.1721 114.3274 58.3686 31.2643 174.8681 56 G 3.6724 8.4341 110.2352 47.0352 0.0000 175.1582 57 T 4.3069 8.4845 111.8249 62.4250 69.2421 176.1260 58 G 4.3435 8.4719 111.4212 46.0479 0.0000 176.0196 59 G 3.8164 8.6449 109.0963 47.6223 0.0000 175.9446 60 Q 4.1577 8.0941 118.4920 58.8391 29.2380 178.5785 61 T 4.0979 7.5339 114.3717 63.9033 67.9218 176.4473 *63 V 3.9267 7.9824 122.3743 62.9621 33.4096 176.9006 64 L 3.6728 7.9797 120.9066 58.3019 41.6856 178.8469 65 A 4.0173 8.3034 120.9126 55.0771 18.0508 179.5704 66 G 3.7274 7.7424 102.7803 46.7612 0.0000 174.0154 67 H 4.7810 7.9026 116.1549 55.3773 29.5541 174.0253 68 V 4.5426 7.3070 110.9844 59.8933 35.0655 175.5422 69 T 4.3222 8.2774 109.8673 61.7914 69.8384 174.9185 70 G 4.0883 7.6801 109.1418 45.6068 0.0000 172.6030 71 Q 4.8159 8.4611 118.3687 54.7924 30.8757 175.5095 72 V 4.8427 8.9223 122.8652 61.4151 34.8966 174.1206 73 T 5.0617 9.1423 124.9601 61.8357 71.0841 173.4045 74 G 4.0626 9.0194 114.9915 44.8080 0.0000 172.0679 75 L 5.3022 8.8984 126.0254 53.1389 45.3074 174.6851 76 D 5.0209 8.6549 123.9556 52.6793 44.7307 175.9132 77 F 4.2482 9.0390 124.5459 59.8145 40.1003 175.7126 78 L 4.4364 8.4777 122.1719 53.0226 42.4253 177.3371 79 S 4.2316 8.6287 120.7578 61.4709 62.6973 176.6418 80 G 3.6552 8.0011 108.7185 47.6971 0.0000 175.5286 81 F 4.7358 8.0552 119.6590 60.6573 38.9626 177.7402 82 I 3.8561 7.8551 119.0979 64.3120 36.7780 178.1837 83 D 4.4336 8.6021 120.3214 57.4981 40.6043 178.9590 84 I 3.7840 7.7788 120.4090 64.1592 37.0310 178.0042 85 F 4.4323 8.5944 123.3010 61.0341 39.1345 177.1018 86 N 4.5417 8.8476 116.2283 56.1149 38.2339 177.4175 87 R 3.8953 8.3092 120.3961 59.6595 30.2126 178.4044 88 N 4.2809 8.6069 116.4073 56.1398 38.4986 177.2843 89 A 3.8921 8.1580 122.4996 55.1609 18.4503 179.9763 90 R 4.0941 8.2354 116.7014 59.5943 29.9524 179.2470 91 Q 4.0171 8.1720 117.0269 58.9224 28.8013 178.4764 92 S 4.4281 7.9677 113.6927 58.0820 63.1594 174.5551 93 G 4.0325 7.8069 109.5701 46.4172 0.0000 174.3584 94 L 4.5426 8.2128 118.1756 54.0219 42.1721 178.6073 95 Q 4.2954 7.7396 117.5987 58.0842 28.7295 177.4653 96 N 4.6697 8.0594 114.7551 54.6730 39.0837 175.4005 97 R 4.7100 7.7602 111.6749 55.4579 32.6477 174.3366 98 V 5.0099 8.4904 121.2572 61.7011 34.4448 174.3113 99 T 4.9371 9.1952 123.9999 61.8325 72.8402 172.9841 100 G 3.8792 9.4230 113.4094 44.2817 0.0000 172.9693 101 I 4.7232 8.5417 117.5998 58.7343 41.3247 174.4786 102 V 4.3089 8.2247 124.0737 62.6278 32.4281 175.1710 103 G 3.8677 8.3174 113.6300 46.2109 0.0000 171.7185 104 S 5.0980 8.0609 114.6873 58.0580 63.0064 175.0039 *106 D 4.7772 8.6511 119.9661 52.8125 41.2489 176.0550 107 D 4.7936 7.9898 117.8898 53.6087 41.9886 175.1196 108 L 3.9110 7.5446 120.6318 54.1517 42.6945 176.0418 109 P 4.3474 0.0000 0.0000 62.9516 31.8343 176.3101 110 F 4.6779 6.7925 117.9387 57.1412 39.5413 175.2465 111 R 4.5068 9.4746 119.9181 55.0700 30.5621 175.8621 112 N 4.4973 8.7158 116.4011 55.1968 38.8579 174.7745 113 E 4.1159 8.8743 120.8099 56.4741 27.8449 175.8283 114 E 4.1907 8.0810 120.8806 58.0822 30.3920 176.3270 115 L 4.7996 8.1267 118.4924 53.4105 43.6790 177.5285 116 D 4.9298 9.2008 122.1054 55.9706 42.6692 176.3331 117 L 5.1485 7.7159 120.1549 54.0221 45.8666 173.8540 118 I 4.8763 9.1159 127.7045 59.3951 39.6891 174.3135 119 W 5.2007 9.5305 135.0000 56.0580 33.4864 175.2112 120 S 4.9067 8.6810 120.3278 58.0007 65.1275 172.7245 121 E 4.5129 9.1072 127.7532 54.7854 31.1359 176.5018 122 G 4.1776 8.6344 114.1520 45.8143 0.0000 173.9668 123 A 4.3725 7.7324 119.4225 51.1298 22.1922 178.9866 124 I 3.7811 7.8572 115.4480 63.9208 36.6835 177.2213 125 Y 3.9444 7.8642 118.1674 59.8142 37.1987 178.0323 126 N 4.2280 7.1371 117.6642 55.1418 38.5636 175.9182 127 I 4.2674 7.0545 115.3677 59.1591 40.0923 176.1482 128 G 4.1264 8.0085 108.1401 45.3963 0.0000 173.6767 129 F 4.0553 9.0100 125.9475 61.7136 39.3664 177.5802 130 E 3.6563 8.8853 118.0188 59.1180 29.2902 179.4299 131 R 3.8584 7.8528 118.3898 59.2418 30.1464 178.5641 132 G 2.4735 7.9106 105.7399 47.3936 0.0000 175.2686 133 L 3.6699 7.1395 120.8540 57.5932 41.7528 179.3275 134 N 4.5009 7.9913 115.8836 56.3620 38.3911 177.5626 135 E 3.9968 8.4260 119.1230 59.0244 29.8897 178.9716 136 W 5.0128 8.5792 118.6978 58.9435 29.3620 178.3691 137 R 4.1905 8.0606 120.6002 58.5928 29.3433 178.4696 138 K 3.9625 7.8915 117.1379 59.4590 32.9804 177.9652 139 Y 4.5751 7.8387 116.7197 59.3153 38.3508 174.8534 140 L 4.9837 7.7229 120.6531 53.3580 43.4527 176.7835 141 K 4.1111 9.1496 122.7431 56.2799 33.4804 176.5760 142 K 3.9877 8.5546 122.2098 58.1913 32.2228 177.6431 143 G 3.8011 9.0700 113.0191 45.2838 0.0000 173.5007 144 G 4.1051 8.0961 108.2092 46.0554 0.0000 172.2247 145 Y 5.4398 9.0614 116.5638 55.9385 41.9578 174.8261 146 L 5.2415 9.2847 124.5371 53.3156 45.0604 174.9867 147 A 5.1983 9.3069 127.6214 50.3541 21.6560 175.0426 148 V 5.3733 9.2779 114.7708 59.1919 36.1965 175.1215 149 S 4.7784 7.9618 118.1533 56.6740 64.9623 172.8990 150 E 4.3710 8.4498 122.3854 54.3024 33.3568 173.9697 151 C 4.7713 8.1167 120.0243 58.4653 30.8143 172.9411 152 S 4.6804 8.8327 116.8449 56.4216 66.9731 173.5289 153 W 5.0730 8.6128 123.3751 57.0845 29.7186 177.0231 154 F 5.3082 9.3080 121.7879 58.4172 39.5152 175.4884 155 T 4.8400 7.9398 107.0935 60.0895 71.9020 173.1999 156 D 4.5712 8.6232 120.4348 55.3697 41.4693 176.7866 157 E 4.5863 7.6481 115.0516 54.5565 32.6254 174.3669 158 R 4.0381 7.6491 114.6772 53.1405 32.1924 173.3653 159 P 4.1735 0.0000 0.0000 62.3875 33.1901 177.5542 160 A 3.8692 8.3610 122.6176 55.1377 18.3731 179.7876 161 E 3.7837 7.9241 117.3248 59.5984 29.8850 178.8469 162 I 3.6368 6.8517 117.9541 63.5957 37.8287 177.0679 163 N 4.4281 7.5878 117.1186 56.9244 38.8653 176.2518 164 D 4.5157 8.3606 119.2848 57.1820 41.1853 178.1906 165 F 4.2547 8.2101 121.1110 60.9092 39.5691 178.2205 166 W 4.2472 8.2069 118.8459 56.5868 28.7231 177.9656 *168 D 4.3478 8.0946 119.1219 54.2188 42.5916 176.0710 169 A 3.9599 7.5542 120.4772 54.7631 18.9633 177.3876 170 Y 4.9457 8.2714 116.2426 56.3909 40.4516 172.7211 171 P 4.3474 0.0000 0.0000 64.2445 31.8027 177.7369 172 E 3.8036 6.8729 118.3090 56.7231 29.8358 176.0965 173 I 3.3602 6.2506 118.3506 62.6114 38.4499 174.0575 174 D 4.9002 7.7826 126.2365 53.1453 45.3235 173.9590 175 T 4.9199 8.4279 110.7696 60.7819 70.1737 176.0046 176 I 3.8701 8.6403 123.3406 64.2688 37.2096 176.8867 177 P 4.3452 0.0000 0.0000 65.7500 31.1589 178.3989 178 N 4.4114 7.9218 113.9689 56.4231 38.4232 177.5619 179 Q 4.0275 8.2452 119.5708 58.8693 28.7555 178.8213 180 V 3.7724 8.5001 119.6263 65.9398 31.4746 177.9425 181 A 4.0651 8.1625 120.6763 55.1163 18.1841 179.8096 182 K 3.9517 8.1069 117.1154 59.3755 32.1743 179.6220 183 I 3.5380 7.9175 120.2677 64.5908 37.0922 177.8508 184 H 4.6297 8.1899 120.2340 58.8497 29.5470 177.2674 185 K 3.9943 8.2374 119.8333 59.0458 32.0810 177.7059 186 A 4.3148 7.7155 118.8149 52.2750 18.3635 177.6117 187 G 3.8315 8.4714 106.3062 45.3321 0.0000 172.5689 188 Y 4.9421 7.7687 115.3443 55.4073 42.0188 174.8488 189 L 4.3796 8.9717 126.2045 54.3464 43.3217 174.6072 190 P 4.8376 0.0000 0.0000 62.0410 29.4006 175.7969 191 V 3.9280 8.2616 127.9860 66.5258 32.6558 175.6083 192 A 4.4432 8.1319 120.4322 50.9044 22.8544 175.7543 193 T 4.8775 8.2100 117.7101 61.8981 72.2993 173.3948 194 F 5.0261 8.5347 120.9732 55.1747 41.8275 173.7792 195 I 4.5683 8.4866 121.7695 60.8928 37.9863 175.7299 196 L 4.5400 8.9290 127.4095 53.9746 42.3356 175.7158 197 P 4.5734 0.0000 0.0000 62.2786 32.3289 176.8972 198 E 4.3437 9.1575 121.2012 59.7953 29.4503 178.9372 199 N 4.8416 8.2695 117.3462 55.1473 37.5287 176.7284 200 C 4.4702 8.3854 120.8496 61.5792 28.1054 175.5677 201 W 3.9419 8.4214 120.8313 59.4475 28.8798 177.3620 202 T 4.6265 8.2363 109.4464 63.1943 68.2479 176.1380 203 D 4.3880 8.2502 123.7929 56.6357 41.5220 177.5672 204 H 4.7306 8.0621 112.6738 56.0923 29.2286 174.3357 205 Y 4.7039 7.2352 119.4718 58.1812 41.6437 176.8177 206 F 4.2152 8.9313 118.5069 60.6852 38.9568 178.0973 207 T 3.9149 8.3244 115.6311 66.3537 68.2756 175.0300 208 P 4.2231 0.0000 0.0000 65.3027 31.2459 178.6167 209 K 3.7598 8.0087 118.7499 59.3117 32.0690 179.0422 210 V 3.7398 7.9801 118.4026 65.9521 31.5045 177.8980 211 A 3.9479 7.7844 120.4432 55.1088 18.1411 179.4735 212 A 3.7604 8.0583 119.4702 54.9979 18.2318 179.5836 213 Q 3.8719 8.0676 118.4950 59.3700 29.1669 178.7503 214 K 4.0133 8.0301 119.4021 59.5969 32.0381 179.4448 215 I 3.7113 7.6243 119.5508 64.1802 36.9481 178.2440 216 F 4.2598 8.4766 121.7387 61.5496 38.9358 177.3038 217 L 4.1155 8.6293 118.6658 57.6803 41.0868 179.7752 218 T 3.9203 7.8342 116.2423 66.3535 68.2518 176.7546 219 K 3.7731 7.9450 120.3644 58.8002 32.3654 177.8440 220 Y 4.6653 7.7349 116.0310 55.9902 39.1613 175.2593 221 A 4.1465 6.3850 122.1796 53.4489 18.6908 179.3295 222 G 3.9148 9.0204 111.2962 45.6250 0.0000 173.2917 223 N 4.5898 8.3048 119.5457 52.8078 39.7281 175.5321 224 K 4.0124 8.6999 128.2543 59.4356 32.2479 179.3877 225 I 3.6910 8.0219 119.9788 64.4381 37.0917 178.3099 226 A 4.2374 8.1654 121.0583 55.3218 17.9758 179.3473 227 E 4.1489 8.4827 118.9010 60.0530 29.5584 179.8956 228 E 4.1632 8.1137 117.6084 61.1296 30.2974 180.6467 229 F 4.4852 8.3548 122.0886 61.1841 39.2313 178.4290 230 S 4.2690 8.3558 110.4845 58.7690 62.2976 175.5471 *232 L 4.2666 7.9800 121.6938 54.2191 43.1700 179.3031 233 Q 3.9022 7.4031 117.4003 58.7710 28.5081 178.6314 234 S 4.1682 7.8513 116.1337 61.4503 62.7671 176.6659 235 I 3.6311 7.3019 121.8134 64.2510 36.9392 177.8124 236 E 3.8233 7.8071 119.0366 59.4540 29.4779 178.6521 237 E 2.7123 7.9175 118.6454 58.6580 29.7677 178.2697 238 E 3.8985 7.8902 118.5406 59.4902 29.4555 179.4133 239 L 4.1286 7.9419 118.9280 57.7845 41.6313 178.9627 240 Y 4.2365 7.8256 120.4983 60.6631 38.5872 177.8352 241 H 4.2297 7.9190 115.7030 58.6674 28.7981 177.3737 242 K 3.9488 7.6770 120.2204 58.3514 32.1763 177.0434 243 Y 5.1711 7.9550 114.7497 57.4010 39.0539 177.4019 244 K 2.9507 7.7986 122.0412 59.1512 32.3726 178.8123 245 E 3.9322 8.0162 118.0417 58.5604 29.6244 176.9245 246 Y 4.7301 8.2498 116.1741 58.5087 39.1863 174.6225 247 Y 4.4992 6.8840 116.4136 55.8957 41.7460 173.5041 248 G 4.2541 7.4250 106.4389 46.9161 0.0000 171.7314 249 Y 5.6507 9.2089 118.9879 56.6754 41.9511 175.0776 250 T 4.7146 8.6895 118.4992 61.6971 72.8042 172.5495 251 F 4.5733 8.6548 128.2326 56.6713 41.2517 174.2132 252 F 5.1120 9.6265 125.1719 55.7945 41.6818 174.3042 253 I 5.0026 9.2575 125.1399 59.4975 39.6610 174.6445 254 A 5.2159 9.5315 128.8363 50.0122 22.5865 174.2295 255 K 4.3351 8.8956 124.0267 54.1640 34.5190 175.2486 256 K 4.2958 9.0550 130.1424 56.4595 32.9889 175.4421 257 I 4.8208 7.8709 120.3309 58.9744 40.3730 177.2208 258 R 3.9041 8.6337 123.4147 59.2551 30.2227 178.8712 259 L 4.0661 7.8525 116.3040 56.8488 41.8071 177.4107 260 L 4.3850 7.9004 120.9747 54.9144 41.8708 177.1726 261 E 4.1703 8.1079 121.2072 56.0946 30.5139 177.8010 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 12 E 8.29 4.36 0.00 1.91 1.91 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 2.21 1.88 0.00 13 L 8.13 4.17 0.00 1.93 1.92 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.66 4.21 0.00 2.82 2.80 0.00 0.00 7.19 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 15 L 7.65 4.08 0.00 1.29 1.62 0.77 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 I 6.73 3.76 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 1.03 0.00 0.00 17 C 7.76 3.85 0.00 2.70 2.87 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 18 D 7.52 4.52 0.00 3.07 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 19 F 8.94 4.14 0.00 2.49 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 20 F 9.04 4.57 0.00 3.72 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.46 4.22 0.00 4.23 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 22 N 7.32 4.64 0.00 2.51 2.74 0.00 0.00 6.95 7.54 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 *24 E 7.72 4.41 0.00 2.08 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 2.30 2.35 0.00 25 R 7.78 4.67 0.00 1.80 1.91 0.00 3.34 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 26 Q 8.67 4.89 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 1.91 2.53 0.00 27 G 7.42 3.61 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 28 P 0.00 3.73 0.00 0.49 0.49 0.00 2.61 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 29 G 7.23 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 30 S 7.39 4.33 0.00 3.86 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.27 0.00 2.18 2.14 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 2.14 2.19 0.00 32 E 8.21 3.93 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 33 V 7.93 3.79 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 1.16 0.00 0.00 34 T 8.23 4.30 4.49 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 1.28 0.00 0.00 35 L 8.25 3.99 0.00 1.61 1.60 0.75 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.68 4.40 0.00 1.63 1.59 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.75 4.69 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 46 E 8.63 4.03 0.00 2.02 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 2.29 0.00 47 K 7.76 4.48 0.00 1.81 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 48 S 8.01 4.59 0.00 3.87 3.80 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 49 L 9.50 5.04 0.00 1.50 1.53 1.00 0.74 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 50 I 8.77 5.13 1.97 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 1.19 0.81 0.98 0.00 0.00 51 A 8.86 5.15 0.78 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 0.00 0.00 52 D 9.23 5.30 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.99 4.34 1.43 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.38 0.65 0.00 0.00 54 G 8.72 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 55 C 8.17 4.37 0.00 3.33 3.48 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 56 G 8.43 3.67 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 57 T 8.48 4.31 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 58 G 8.47 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 59 G 8.64 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 0.00 0.00 0.00 60 Q 8.09 4.16 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.15 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 61 T 7.53 4.10 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 1.38 0.00 0.00 *63 V 7.98 3.93 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 0.89 0.00 0.00 0.95 0.00 0.00 64 L 7.98 3.67 0.00 1.33 1.59 0.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.30 4.02 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 66 G 7.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.90 4.78 0.00 2.99 3.25 0.00 5.80 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 68 V 7.31 4.54 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 0.68 0.00 0.00 0.92 0.00 0.00 69 T 8.28 4.32 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 6.73 7.93 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 87 R 8.31 3.90 0.00 2.03 2.14 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 88 N 8.61 4.28 0.00 2.80 2.73 0.00 0.00 6.96 6.95 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 89 A 8.16 3.89 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 90 R 8.24 4.09 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 91 Q 8.17 4.02 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 92 S 7.97 4.43 0.00 3.92 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 93 G 7.81 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 94 L 8.21 4.54 0.00 1.73 1.64 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.75 2.80 0.00 0.00 7.00 7.66 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 0.00 113 E 8.87 4.12 0.00 2.09 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 2.44 2.18 0.00 114 E 8.08 4.19 0.00 2.12 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 0.00 2.33 2.33 0.00 115 L 8.13 4.80 0.00 1.65 1.43 0.04 0.83 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 0.00 116 D 9.20 4.93 0.00 2.71 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 0.00 117 L 7.72 5.15 0.00 1.88 1.56 1.34 1.21 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 0.00 118 I 9.12 4.88 1.99 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 0.91 0.59 0.75 0.00 0.00 119 W 9.53 5.20 0.00 3.46 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 0.00 120 S 8.68 4.91 0.00 4.07 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 0.00 121 E 9.11 4.51 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.62 0.00 122 G 8.63 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 0.00 123 A 7.73 4.37 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.86 3.78 1.88 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.97 0.00 0.00 125 Y 7.86 3.94 0.00 1.43 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 0.00 126 N 7.14 4.23 0.00 2.53 2.68 0.00 0.00 6.75 7.11 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 0.00 127 I 7.05 4.27 1.89 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 1.41 0.87 0.81 0.00 0.00 128 G 8.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 9.01 4.06 0.00 3.18 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 0.00 130 E 8.89 3.66 0.00 2.09 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 2.22 2.33 0.00 131 R 7.85 3.86 0.00 1.80 2.06 0.00 3.16 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 132 G 7.91 2.47 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 0.00 133 L 7.14 3.67 0.00 1.43 1.60 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.99 4.50 0.00 2.82 2.80 0.00 0.00 7.09 7.02 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 0.00 135 E 8.43 4.00 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 136 W 8.58 5.01 0.00 3.54 3.30 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 0.00 137 R 8.06 4.19 0.00 2.26 1.90 0.00 2.77 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.06 0.00 138 K 7.89 3.96 0.00 1.75 1.86 0.00 1.07 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.85 0.38 7.81 139 Y 7.84 4.58 0.00 3.23 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 0.00 140 L 7.72 4.98 0.00 1.85 1.64 1.18 0.77 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 0.00 141 K 9.15 4.11 0.00 1.70 1.76 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.61 7.81 142 K 8.55 3.99 0.00 1.63 1.74 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 143 G 9.07 3.80 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 0.00 0.00 0.00 144 G 8.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 9.06 5.44 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 9.28 5.24 0.00 1.56 1.34 0.61 1.27 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 0.00 147 A 9.31 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 9.28 5.37 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 0.91 0.00 0.00 1.01 0.00 0.00 149 S 7.96 4.78 0.00 3.34 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.45 4.37 0.00 1.86 1.56 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 1.47 1.87 0.00 151 C 8.12 4.77 0.00 2.50 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 0.00 152 S 8.83 4.68 0.00 3.79 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 0.00 153 W 8.61 5.07 0.00 3.20 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 0.00 154 F 9.31 5.31 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 T 7.94 4.84 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 1.32 0.00 0.00 156 D 8.62 4.57 0.00 2.68 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 0.00 157 E 7.65 4.59 0.00 1.90 1.77 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 2.14 2.25 0.00 158 R 7.65 4.04 0.00 1.05 1.44 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.06 0.00 159 P 0.00 4.17 0.00 1.78 1.98 0.00 2.40 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 160 A 8.36 3.87 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 0.00 161 E 7.92 3.78 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 162 I 6.85 3.64 0.68 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 1.74 1.36 0.50 0.00 0.00 163 N 7.59 4.43 0.00 2.48 2.84 0.00 0.00 7.26 8.22 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 0.00 164 D 8.36 4.52 0.00 2.85 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 0.00 165 F 8.21 4.25 0.00 2.98 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 0.00 166 W 8.21 4.25 0.00 3.69 3.04 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 *168 D 8.09 4.35 0.00 2.65 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 0.00 169 A 7.55 3.96 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 170 Y 8.27 4.95 0.00 2.92 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 0.00 171 P 0.00 4.35 0.00 2.13 2.13 0.00 3.81 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 1.92 1.92 0.00 172 E 6.87 3.80 0.00 1.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 173 I 6.25 3.36 1.13 0.00 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.19 0.00 0.00 174 D 7.78 4.90 0.00 2.76 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 8.43 4.92 4.36 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 1.38 0.00 0.00 176 I 8.64 3.87 1.97 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 1.75 0.81 0.97 0.00 0.00 177 P 0.00 4.35 0.00 2.20 2.14 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 178 N 7.92 4.41 0.00 3.06 3.01 0.00 0.00 7.03 7.31 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 0.00 179 Q 8.25 4.03 0.00 2.31 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 1.87 2.35 0.00 180 V 8.50 3.77 2.19 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 1.10 0.00 0.00 1.22 0.00 0.00 181 A 8.16 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 K 8.11 3.95 0.00 2.12 1.85 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.65 7.81 183 I 7.92 3.54 2.11 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.98 0.00 0.00 184 H 8.19 4.63 0.00 3.31 3.52 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 K 8.24 3.99 0.00 1.86 2.04 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.45 7.81 186 A 7.72 4.31 1.51 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 0.00 187 G 8.47 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 0.00 188 Y 7.77 4.94 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.97 4.38 0.00 1.76 1.56 0.97 0.81 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 0.00 190 P 0.00 4.84 0.00 2.20 2.18 0.00 3.91 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 191 V 8.26 3.93 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 0.95 0.00 0.00 1.15 0.00 0.00 192 A 8.13 4.44 0.17 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 0.00 193 T 8.21 4.88 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 0.82 0.00 0.00 194 F 8.53 5.03 0.00 3.08 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 0.00 195 I 8.49 4.57 1.91 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 1.41 0.54 1.07 0.00 0.00 196 L 8.93 4.54 0.00 1.91 1.82 1.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 197 P 0.00 4.57 0.00 2.31 2.08 0.00 3.81 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 198 E 9.16 4.34 0.00 2.20 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 0.00 2.66 2.76 0.00 199 N 8.27 4.84 0.00 3.12 3.18 0.00 0.00 6.75 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 0.00 200 C 8.39 4.47 0.00 3.16 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 W 8.42 3.94 0.00 3.33 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 T 8.24 4.63 4.45 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 1.57 0.00 0.00 203 D 8.25 4.39 0.00 2.83 2.71 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 0.00 204 H 8.06 4.73 0.00 3.42 3.40 0.00 5.79 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 0.00 205 Y 7.24 4.70 0.00 2.69 2.54 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 0.00 206 F 8.93 4.22 0.00 3.14 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 0.00 207 T 8.32 3.91 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 1.23 0.00 0.00 208 P 0.00 4.22 0.00 2.12 2.09 0.00 3.70 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 2.21 2.14 0.00 209 K 8.01 3.76 0.00 1.70 1.83 0.00 1.58 0.00 0.00 0.98 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.33 7.81 210 V 7.98 3.74 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 0.97 0.00 0.00 0.99 0.00 0.00 211 A 7.78 3.95 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 0.00 212 A 8.06 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 Q 8.07 3.87 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 214 K 8.03 4.01 0.00 1.94 1.86 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.64 7.81 215 I 7.62 3.71 1.99 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 1.39 0.69 0.95 0.00 0.00 216 F 8.48 4.26 0.00 3.09 3.32 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 0.00 217 L 8.63 4.12 0.00 1.87 1.79 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 218 T 7.83 3.92 4.38 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 1.18 0.00 0.00 219 K 7.94 3.77 0.00 1.54 1.63 0.00 1.59 0.00 0.00 1.40 0.00 0.00 2.54 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 1.06 7.81 220 Y 7.73 4.67 0.00 2.80 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 0.00 221 A 6.39 4.15 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 0.00 222 G 9.02 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 0.00 0.00 0.00 223 N 8.30 4.59 0.00 2.84 2.88 0.00 0.00 7.08 7.89 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 0.00 224 K 8.70 4.01 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.50 7.81 225 I 8.02 3.69 1.93 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 1.46 1.01 0.90 0.00 0.00 226 A 8.17 4.24 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 0.00 227 E 8.48 4.15 0.00 2.17 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 2.43 2.59 0.00 228 E 8.11 4.16 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 229 F 8.35 4.49 0.00 3.15 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 0.00 230 S 8.36 4.27 0.00 4.45 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 *232 L 7.98 4.27 0.00 1.68 1.66 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 233 Q 7.40 3.90 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 234 S 7.85 4.17 0.00 3.80 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 0.00 235 I 7.30 3.63 2.00 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 1.38 0.94 0.83 0.00 0.00 236 E 7.81 3.82 0.00 2.21 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 2.86 2.62 0.00 237 E 7.92 2.71 0.00 1.32 1.59 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 1.89 1.47 0.00 238 E 7.89 3.90 0.00 2.16 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 2.28 2.52 0.00 239 L 7.94 4.13 0.00 1.61 1.66 -0.17 0.72 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 0.00 240 Y 7.83 4.24 0.00 3.27 2.92 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 0.00 241 H 7.92 4.23 0.00 3.12 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 K 7.68 3.95 0.00 1.61 1.50 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.99 7.81 243 Y 7.96 5.17 0.00 3.47 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 0.00 244 K 7.80 2.95 0.00 0.91 0.74 0.00 1.26 0.00 0.00 1.39 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 1.15 7.81 245 E 8.02 3.93 0.00 1.36 1.78 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 2.17 2.26 0.00 246 Y 8.25 4.73 0.00 3.44 3.11 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 0.00 247 Y 6.88 4.50 0.00 3.02 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 0.00 248 G 7.43 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 Y 9.21 5.65 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 T 8.69 4.71 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 0.50 0.00 0.00 251 F 8.65 4.57 0.00 1.99 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 F 9.63 5.11 0.00 3.03 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 0.00 253 I 9.26 5.00 1.91 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 1.37 0.50 1.12 0.00 0.00 254 A 9.53 5.22 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 0.00 255 K 8.90 4.34 0.00 1.35 1.53 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.09 0.68 7.81 256 K 9.05 4.30 0.00 1.81 1.73 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 1.09 7.81 257 I 7.87 4.82 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 1.17 0.74 0.89 0.00 0.00 258 R 8.63 3.90 0.00 1.86 1.98 0.00 3.10 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 259 L 7.85 4.07 0.00 1.61 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 260 L 7.90 4.38 0.00 1.54 1.52 0.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 261 E 8.11 4.17 0.00 2.09 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 2.11 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.