NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2680 7.8827 121.4544 61.2178 38.6513 173.7596 17 V 4.4095 8.8173 126.0775 61.8031 32.8535 174.6555 18 G 4.1255 8.5727 114.1123 46.6547 0.0000 173.5755 19 G 4.0865 7.5959 109.4476 44.7405 0.0000 172.5627 20 Y 4.9645 7.9094 116.6770 55.0794 42.1632 175.0037 21 T 4.2190 8.6331 117.2234 64.2945 68.3516 174.9624 22 C 4.2306 8.6200 125.5326 58.8788 35.8684 175.7110 23 G 3.9440 8.4296 105.1368 45.2420 0.0000 172.4409 24 A 4.3376 8.3142 124.7985 53.0167 18.6025 176.9904 25 N 4.2942 9.0083 118.7240 54.3173 36.1852 175.5628 26 T 4.0647 7.7553 108.9913 63.3542 69.6947 174.9862 27 V 4.0672 7.1135 121.9871 60.4587 31.2062 173.7318 28 P 4.4984 0.0000 0.0000 64.0684 32.1455 178.0995 29 Y 5.0438 6.8485 116.2670 56.9999 38.8772 174.7159 30 Q 4.5171 7.5110 123.7020 56.3171 29.5043 175.5676 31 V 4.8387 8.9613 119.2454 59.7089 35.8559 174.1870 32 S 4.9630 8.7208 117.1746 56.7393 64.4615 172.7839 33 L 4.7297 8.5607 127.5601 53.5106 43.4961 175.1875 34 N 5.6696 8.9395 121.3609 50.1821 42.2389 175.0452 *37 S 4.3118 8.6361 122.1805 58.3966 64.5257 173.8046 38 G 3.8161 7.8631 115.0974 47.0714 0.0000 174.2015 39 Y 4.7951 6.6224 116.3983 54.5919 41.2508 173.4827 40 H 4.4059 8.7781 120.6077 56.4606 30.2054 174.5885 41 F 5.1159 7.9796 119.7322 56.8950 39.7656 174.1708 42 C 4.7579 6.8168 115.0248 55.8287 44.6944 173.8569 43 G 4.1901 8.5325 109.8570 45.8195 0.0000 172.1802 44 G 4.8031 8.2085 105.3623 46.3661 0.0000 172.5533 45 S 5.4468 9.0036 115.9567 56.3419 66.4806 173.7080 46 L 4.8184 9.2170 127.7888 54.9961 42.3222 177.0957 47 I 4.4330 8.4243 119.7157 60.9615 39.0443 174.4359 48 N 4.6399 7.5555 117.2711 52.3638 39.5153 174.8960 49 S 4.2036 8.6581 112.0164 60.8463 63.1592 175.0800 50 Q 4.7028 8.2286 117.0008 55.2893 30.2356 174.7510 51 W 5.6622 8.3643 119.3313 55.3944 33.9030 174.2308 52 V 5.0104 9.1131 122.6922 61.2318 34.7203 174.1247 53 V 4.7871 9.0266 127.8857 62.0708 33.3068 174.8096 54 S 4.6468 8.9807 121.2328 57.5364 66.2321 172.0458 55 A 4.6877 8.7343 119.9424 50.0329 20.2707 178.4412 56 A 3.7918 8.3182 124.3821 55.3556 18.4086 179.3710 57 H 4.5138 8.5139 109.6672 57.5222 28.6055 175.3527 58 C 4.7108 7.7794 117.1655 57.2320 40.4535 173.2381 59 Y 4.2474 7.7372 122.3248 57.8730 38.7442 175.5341 60 K 4.1902 7.2640 124.8125 54.1760 36.3369 176.1645 61 S 4.0132 8.0142 116.0049 59.2989 63.7121 174.0779 62 G 3.7861 8.6230 109.4148 46.3958 0.0000 173.6888 63 I 3.9766 7.5178 120.0101 61.1054 38.6475 174.6266 64 Q 4.8197 8.9048 127.5714 54.3064 31.3721 174.2991 65 V 4.4066 8.6982 127.2534 62.0435 33.4819 174.7423 66 R 5.0377 8.9500 127.3543 54.7763 32.1029 175.2287 67 L 4.7029 9.1432 125.0122 52.8878 44.5561 177.9271 *69 G 4.0065 8.2868 107.0633 45.2250 0.0000 173.0018 70 E 4.2403 8.0500 119.6644 56.1501 29.2521 174.9556 71 D 4.9174 8.1615 118.7188 55.0018 44.5296 174.6579 72 N 5.0108 8.9494 125.2028 52.2448 38.5053 176.2401 73 I 3.8698 7.9612 119.8804 62.3247 37.7172 176.7209 74 N 4.6293 8.4082 117.5411 53.3774 38.9581 175.1228 75 V 4.2808 7.5958 118.1831 60.6443 34.1178 174.7842 76 V 3.8845 8.6088 127.6422 63.4141 31.5968 175.0670 77 E 4.5168 10.0421 126.3917 55.4757 31.3512 176.0679 78 G 3.6732 7.8425 106.9312 45.5237 0.0000 174.3941 79 N 4.7959 8.1630 116.4690 52.9644 39.1983 174.3206 80 E 4.5317 7.7989 117.9888 56.3903 30.8814 176.2500 81 Q 4.4872 9.2099 121.2104 54.3199 32.2226 174.3072 82 F 5.5393 8.7634 123.2777 56.1294 40.7403 175.5425 83 I 4.6790 9.0005 124.5004 59.2546 41.1490 175.2888 84 S 4.5132 8.7969 122.6532 58.5479 64.1387 173.3183 85 A 4.5137 8.4390 126.2913 52.1036 18.1345 177.7140 86 S 4.3920 8.9082 118.5690 60.0517 64.4431 175.0960 87 K 4.7527 7.7048 117.8889 54.3586 36.5597 175.8333 88 S 5.0747 8.8940 118.6413 57.1419 65.9348 173.7883 89 I 4.4658 9.4003 127.8658 59.4074 38.5752 175.6262 90 V 4.1268 8.3418 127.4985 62.3454 32.6008 175.1886 91 H 3.4585 8.6855 126.8129 55.8902 29.8944 174.4331 92 P 4.2646 0.0000 0.0000 65.3407 31.2121 177.0391 93 S 4.6066 7.9616 112.8491 57.9586 62.8365 173.1940 94 Y 4.2336 7.9548 123.3923 58.2683 38.8115 174.7522 95 N 4.4878 8.4130 126.1315 51.3174 39.4425 175.1201 96 S 3.8352 7.5945 120.5994 59.9943 63.3809 175.4715 97 N 4.3825 8.2404 118.9696 55.2374 38.4133 175.8598 98 T 4.1203 7.6148 104.7364 60.2837 70.1094 174.4226 99 L 3.7558 7.9537 120.7183 55.4485 40.0616 174.0125 100 N 4.4000 7.7449 117.6610 54.8527 39.5815 174.5670 101 N 4.9726 8.6558 120.1120 53.8635 36.4218 175.6806 102 D 4.6808 7.6330 118.3925 52.7980 40.2620 174.5904 103 I 4.9172 7.0315 120.8176 59.3994 42.3482 172.9560 104 M 5.4940 9.0726 126.5266 54.1894 36.2948 173.2304 105 L 5.3995 9.4877 124.8577 53.1101 45.1225 175.3268 106 I 4.8744 9.1428 124.4359 59.4275 39.9181 174.5478 107 K 3.5791 8.3864 129.1309 54.9561 33.4982 175.4869 108 L 4.4546 8.0598 127.9192 53.9749 41.8518 176.6338 109 K 4.0169 9.0230 126.4535 59.0620 32.4485 176.9086 110 S 4.6674 7.7447 110.8451 55.6700 66.0492 173.2162 111 A 4.3235 8.4297 123.6879 51.9326 18.6710 177.4519 112 A 4.2427 9.0965 124.1133 52.1562 19.6294 177.8389 113 S 4.5335 8.9937 116.7771 57.1014 63.1631 174.5517 114 L 4.4565 8.4436 125.8582 54.5430 42.2144 176.6551 115 N 4.8631 8.9460 119.4640 52.2658 39.7768 174.9111 116 S 4.1786 8.7133 111.6896 61.1393 63.2155 175.0064 117 R 4.2712 7.8829 117.8766 56.3261 30.8626 176.2652 118 V 4.4215 7.6945 116.7958 60.8939 33.0318 173.4132 119 A 5.1865 8.5733 128.3961 49.9379 22.7787 175.3687 120 S 4.9799 8.8019 114.8460 58.1451 64.6416 173.0170 121 I 4.4101 8.2494 121.6267 59.0232 39.2212 175.6244 122 S 4.3592 8.4693 124.5614 58.6069 63.9686 173.8969 123 L 4.3023 8.3035 122.5270 53.3635 42.5520 175.3460 124 P 4.4598 0.0000 0.0000 63.0493 31.5111 176.7062 125 T 4.2942 8.2327 108.9886 61.8663 69.7767 174.0509 *127 S 4.2434 7.5437 115.3994 58.1937 64.0653 174.0605 128 C 4.4096 8.3826 117.7613 56.7088 40.6421 173.5295 129 A 4.4437 8.0102 124.6173 51.3477 19.7631 177.0678 130 S 4.5051 8.0373 113.6117 56.3227 65.6231 173.1970 *132 A 4.3298 8.2043 123.2513 53.4421 19.2312 177.1272 133 G 3.9992 9.2920 110.7473 45.4364 0.0000 174.4603 134 T 3.9477 7.5930 117.1611 63.8279 69.4766 173.3124 135 Q 4.6360 8.5731 127.1180 55.6930 30.2385 175.3405 136 C 5.3112 9.2973 122.8467 55.0659 45.9111 172.5181 137 L 5.1562 8.9875 123.5094 53.7518 43.5641 175.0607 138 I 5.3935 9.0471 127.8445 58.8919 39.8576 175.0107 139 S 4.8628 8.6563 119.4358 56.3554 66.5177 173.2399 140 G 3.7209 7.3882 108.0328 46.2526 0.0000 172.8513 141 W 4.5531 8.4693 117.0263 56.2632 29.2299 176.9182 142 G 4.1363 8.4260 109.3667 44.4865 0.0000 173.4043 143 N 4.0218 9.0078 118.5416 54.2656 39.0073 174.5947 144 T 5.1311 8.1778 112.8748 60.5292 69.5487 174.3369 145 K 4.5969 7.7766 121.8172 54.7171 34.6269 176.4185 146 S 4.2960 8.6510 117.7554 60.3130 63.5228 174.5271 147 S 4.3056 8.0861 114.6716 56.6949 62.5210 172.2955 148 G 3.9818 7.5228 111.7650 43.1916 0.0000 170.1133 149 T 4.5245 7.9511 116.0242 61.7038 71.6294 174.4386 150 S 4.3253 9.0664 122.2662 57.3913 65.4562 172.1070 151 Y 5.0628 8.5571 125.7191 56.1061 39.0364 174.1657 152 P 4.7276 0.0000 0.0000 62.1352 33.2290 176.1474 153 D 4.5043 8.8448 119.7947 57.3583 41.0908 177.1133 154 V 5.4080 7.4041 109.6913 58.7306 34.1147 175.7624 155 L 3.1500 8.6657 124.5899 55.1614 42.9366 175.9014 156 K 4.8877 8.1406 125.3007 55.0148 34.9677 174.6937 157 C 5.1914 8.5398 119.3970 55.1634 43.4487 173.0284 158 L 4.9770 8.6175 122.8399 53.7745 45.5106 174.6049 159 K 5.1499 9.0408 125.6114 55.2912 33.5380 175.8734 160 A 4.9171 9.2383 126.6338 49.7351 23.1016 173.5329 161 P 4.9942 0.0000 0.0000 61.8228 33.7956 175.3823 162 I 4.3842 8.3267 122.4125 61.6784 37.9454 175.5906 163 L 4.9347 8.7855 127.2741 52.9504 43.5912 176.9585 164 S 4.2569 8.5186 115.7481 58.4135 63.7561 175.0036 165 D 4.4814 8.9592 122.9723 57.8309 40.4557 179.5149 166 S 4.1721 8.0327 114.1364 61.6085 63.0840 176.6268 167 S 4.0992 8.0977 118.8902 61.2402 62.6511 175.8904 168 C 4.3092 8.3375 121.1273 59.8219 41.1803 175.8734 169 K 4.0039 8.5337 120.5207 59.4154 31.3426 179.3794 170 S 4.0940 8.1461 112.7742 61.3038 62.3911 175.8102 171 A 3.9852 7.8481 122.6063 53.9031 19.6587 177.3259 172 Y 4.9698 7.6997 113.4769 55.4499 38.5278 172.8544 173 P 4.6769 0.0000 0.0000 63.3714 32.2652 177.7010 174 G 4.0055 8.9908 110.5818 45.9542 0.0000 173.7142 175 Q 4.3288 8.1970 117.2494 55.8966 29.6520 175.4979 176 I 4.4157 7.8019 119.2931 59.8338 38.0393 175.4814 177 T 4.4834 8.2324 116.6485 59.9787 70.5192 175.4895 178 S 4.3715 8.5202 114.8507 60.3303 63.2905 174.3239 179 N 4.9686 8.2336 118.6901 53.3914 38.4507 173.8841 180 M 5.5863 7.9564 116.9911 53.6851 35.9260 174.6997 181 F 5.1352 8.7806 115.4941 55.7468 42.2332 172.5894 182 C 5.9327 9.2451 116.1414 55.0997 42.2216 172.6647 183 A 5.0901 9.1349 122.0482 50.4934 22.2626 174.5172 184A G 4.0863 7.0805 108.0804 44.6868 0.0000 174.3861 184 Y 4.5149 8.3915 122.7728 56.1334 41.0335 175.9428 185 L 4.0738 8.6489 125.9834 57.6351 41.9467 179.0564 186 E 4.0692 8.2054 116.2446 57.0461 29.5967 177.4295 187 G 3.8755 7.7487 106.1127 45.0587 0.0000 172.9723 188A G 3.9793 9.9274 106.3453 44.7848 0.0000 173.4672 188 K 4.8346 7.4235 117.3156 55.3767 35.4101 175.1006 189 D 4.7988 8.9501 123.7356 53.2138 45.4074 174.7942 190 S 4.9112 8.1537 115.1964 58.6368 64.7245 171.6811 191 C 4.7709 9.2038 118.9486 55.5109 43.1873 172.5009 192 Q 4.4049 8.5364 119.8218 57.7193 28.5291 177.9243 193 G 4.4869 9.3059 110.6511 45.5882 0.0000 173.9248 194 D 4.7033 8.4105 118.6016 55.1693 41.8096 176.6927 195 S 4.4424 8.0772 115.0468 60.4624 63.3713 175.5547 196 G 4.0090 8.9780 113.0209 46.3037 0.0000 173.6315 197 G 4.3128 7.8837 107.6862 44.6412 0.0000 171.4125 198 P 4.9145 0.0000 0.0000 62.5132 33.3334 175.7906 199 V 4.5032 8.6566 121.2136 61.4459 34.1772 174.0524 200 V 4.8181 8.7231 128.8409 61.3418 34.0868 173.8608 201 C 5.0735 9.1017 124.6030 55.7912 44.2395 174.5959 202 S 3.6872 9.8125 120.8162 59.7071 60.1449 173.1079 203 G 3.9192 8.3495 103.4608 45.7888 0.0000 173.6525 204 K 4.6579 7.6101 117.9987 53.0375 34.9447 175.4838 *209 L 4.4289 8.2680 123.4401 55.4381 41.9151 175.6123 210 Q 4.5027 8.8974 125.7077 56.4749 30.7464 175.8370 211 G 5.3227 8.0832 104.6154 45.5483 0.0000 171.3973 212 I 5.2931 8.2030 120.1251 58.7739 41.1407 175.3213 213 V 3.7458 8.8448 126.9390 64.1771 31.8059 174.2181 214 S 4.8140 8.4236 120.9498 58.2862 64.1109 173.7357 215 W 4.9296 7.5843 113.9272 55.7468 31.9993 172.3599 216 G 3.9086 8.3953 105.6963 46.0773 0.0000 173.2240 217 S 4.6251 8.7922 116.0085 56.9271 62.6748 173.0816 *219 G 4.2947 8.0617 117.8650 45.6602 0.0000 171.1279 220 C 4.9639 8.0776 115.3389 56.3286 41.6927 173.9645 221A A 3.7513 9.3191 125.0594 53.1108 16.5969 177.2388 221 Q 4.4659 7.4319 116.3571 56.1577 29.5357 175.8713 222 K 4.0753 8.4774 121.9847 57.9986 32.5983 175.8739 223 N 4.2032 9.1497 123.1816 54.4307 38.3161 174.8059 224 K 4.3003 7.5634 113.2610 53.5426 32.4075 173.7278 225 P 4.6422 0.0000 0.0000 61.9249 33.2717 177.8786 226 G 3.5739 8.5190 106.3831 46.2826 0.0000 172.6676 227 V 4.3759 7.8217 122.3822 60.6544 34.0996 174.0759 228 Y 4.8885 8.2105 124.3501 55.9466 42.1317 174.9925 229 T 4.2833 8.6652 120.8277 63.8234 69.9915 174.1101 230 K 5.1616 9.4782 128.2520 55.3446 31.3323 177.2227 231 V 3.9387 8.9062 126.2837 65.8836 31.4463 174.9005 232 C 4.3772 8.3119 112.4081 58.1289 41.5023 174.6350 233 N 4.3576 7.9631 117.0057 54.1183 38.4601 174.7590 234 Y 4.8929 8.0121 117.0274 56.9385 40.1207 177.4839 235 V 3.7218 7.9331 121.6004 65.9815 31.4934 177.8804 236 S 4.0891 8.0826 112.6276 61.0320 62.2878 175.5748 237 W 4.2393 8.3896 130.6375 60.5849 30.3204 177.7857 238 I 3.1867 8.1252 119.5588 64.2232 36.5927 178.3460 239 K 3.6923 7.8344 119.1639 59.8308 31.8108 179.4674 240 Q 3.8874 8.1864 118.2723 59.0065 28.3600 178.8607 241 T 3.5102 7.3434 116.4121 66.2563 68.4765 176.5501 242 I 2.6620 7.1308 121.6086 64.0522 36.8595 178.4104 243 A 3.9348 7.6328 119.8951 54.5858 18.2253 178.6218 244 S 4.4864 7.3662 108.9381 58.8644 62.8209 173.7000 245 N 4.6734 7.8791 123.4435 54.3343 39.6087 173.9582 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 4.27 1.80 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 1.38 0.89 0.86 0.00 0.00 17 V 8.82 4.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 18 G 8.57 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 19 G 7.60 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 20 Y 7.91 4.96 0.00 3.04 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 8.63 4.22 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 1.22 0.00 0.00 22 C 8.62 4.23 0.00 2.74 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 23 G 8.43 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 24 A 8.31 4.34 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 25 N 9.01 4.29 0.00 2.90 2.94 0.00 0.00 7.16 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 26 T 7.76 4.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 27 V 7.11 4.07 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.50 0.00 2.37 2.38 0.00 3.65 0.00 0.00 3.88 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 6.85 5.04 0.00 3.29 3.45 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 30 Q 7.51 4.52 0.00 1.75 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 1.76 2.46 0.00 31 V 8.96 4.84 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 32 S 8.72 4.96 0.00 3.05 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 33 L 8.56 4.73 0.00 0.46 1.08 0.77 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.94 5.67 0.00 2.44 2.47 0.00 0.00 6.79 7.12 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 *37 S 8.64 4.31 0.00 3.64 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 38 G 7.86 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 39 Y 6.62 4.80 0.00 2.99 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 40 H 8.78 4.41 0.00 2.87 3.17 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 7.98 5.12 0.00 3.15 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 42 C 6.82 4.76 0.00 1.89 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 43 G 8.53 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 44 G 8.21 4.80 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 45 S 9.00 5.45 0.00 3.80 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 46 L 9.22 4.82 0.00 1.88 1.82 1.11 1.09 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 47 I 8.42 4.43 1.90 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 1.57 0.91 1.00 0.00 0.00 48 N 7.56 4.64 0.00 2.94 3.00 0.00 0.00 6.01 8.02 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 49 S 8.66 4.20 0.00 4.22 4.21 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 50 Q 8.23 4.70 0.00 1.83 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 51 W 8.36 5.66 0.00 3.17 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 52 V 9.11 5.01 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 1.11 0.00 0.00 0.99 0.00 0.00 53 V 9.03 4.79 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 1.01 0.00 0.00 1.02 0.00 0.00 54 S 8.98 4.65 0.00 3.90 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 55 A 8.73 4.69 1.26 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 0.00 0.00 56 A 8.32 3.79 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.51 4.51 0.00 3.36 3.58 0.00 5.55 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.78 4.71 0.00 3.20 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 59 Y 7.74 4.25 0.00 2.98 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 60 K 7.26 4.19 0.00 1.33 1.23 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.86 7.81 61 S 8.01 4.01 0.00 3.92 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 62 G 8.62 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 0.00 0.00 0.00 63 I 7.52 3.98 1.84 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 1.43 0.90 0.90 0.00 0.00 64 Q 8.90 4.82 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 65 V 8.70 4.41 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 0.86 0.00 0.00 0.89 0.00 0.00 66 R 8.95 5.04 0.00 1.44 1.61 0.00 2.56 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 67 L 9.14 4.70 0.00 1.66 1.66 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.29 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 70 E 8.05 4.24 0.00 2.16 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 2.45 2.00 0.00 71 D 8.16 4.92 0.00 2.79 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 72 N 8.95 5.01 0.00 2.84 2.86 0.00 0.00 7.15 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 73 I 7.96 3.87 1.38 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.11 -0.63 0.00 0.00 74 N 8.41 4.63 0.00 2.85 2.89 0.00 0.00 6.64 8.53 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 75 V 7.60 4.28 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 0.76 0.00 0.00 0.95 0.00 0.00 76 V 8.61 3.88 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 0.77 0.00 0.00 0.93 0.00 0.00 77 E 10.04 4.52 0.00 1.93 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 2.25 2.50 0.00 78 G 7.84 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 79 N 8.16 4.80 0.00 2.76 2.83 0.00 0.00 7.18 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 80 E 7.80 4.53 0.00 1.59 1.97 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 2.77 2.49 0.00 81 Q 9.21 4.49 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 82 F 8.76 5.54 0.00 2.83 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 83 I 9.00 4.68 1.87 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 1.25 0.89 0.95 0.00 0.00 84 S 8.80 4.51 0.00 3.74 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 85 A 8.44 4.51 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 86 S 8.91 4.39 0.00 3.79 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 7.70 4.75 0.00 1.65 1.72 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.31 7.81 88 S 8.89 5.07 0.00 4.05 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 89 I 9.40 4.47 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 1.14 0.00 0.00 90 V 8.34 4.13 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 0.67 0.00 0.00 0.81 0.00 0.00 91 H 8.69 3.46 0.00 2.67 3.01 0.00 5.65 0.00 0.00 0.00 0.00 6.70 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 4.26 0.00 2.21 2.22 0.00 2.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.02 0.00 93 S 7.96 4.61 0.00 3.92 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 94 Y 7.95 4.23 0.00 2.98 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 95 N 8.41 4.49 0.00 2.59 2.48 0.00 0.00 6.53 7.08 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 96 S 7.59 3.84 0.00 3.95 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 97 N 8.24 4.38 0.00 2.76 2.79 0.00 0.00 6.81 7.22 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 98 T 7.61 4.12 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 1.11 0.00 0.00 99 L 7.95 3.76 0.00 1.54 1.86 0.64 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.74 4.40 0.00 2.77 2.66 0.00 0.00 7.23 6.65 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 0.00 101 N 8.66 4.97 0.00 2.93 2.61 0.00 0.00 7.21 8.06 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 0.00 102 D 7.63 4.68 0.00 3.23 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 0.00 103 I 7.03 4.92 1.39 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 1.35 1.16 -0.01 0.00 0.00 104 M 9.07 5.49 0.00 2.16 1.83 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 2.70 2.68 0.00 105 L 9.49 5.40 0.00 1.69 1.89 0.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.14 4.87 1.93 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 1.19 0.83 0.88 0.00 0.00 107 K 8.39 3.58 0.00 0.79 1.03 0.00 1.29 0.00 0.00 1.35 0.00 0.00 2.63 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.78 0.21 7.81 108 L 8.06 4.45 0.00 1.47 1.58 0.96 0.83 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 0.00 109 K 9.02 4.02 0.00 1.76 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 110 S 7.74 4.67 0.00 3.93 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 0.00 111 A 8.43 4.32 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 0.00 112 A 9.10 4.24 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 0.00 113 S 8.99 4.53 0.00 3.75 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 0.00 114 L 8.44 4.46 0.00 1.66 1.63 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.95 4.86 0.00 2.79 2.93 0.00 0.00 6.50 7.35 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 0.00 116 S 8.71 4.18 0.00 4.02 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 7.88 4.27 0.00 1.84 2.18 0.00 3.33 0.00 0.00 3.16 7.34 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.54 4.24 0.00 3.99 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 0.00 128 C 8.38 4.41 0.00 2.93 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 0.00 129 A 8.01 4.44 1.03 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 0.00 130 S 8.04 4.51 0.00 3.95 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 *132 A 8.20 4.33 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 0.00 133 G 9.29 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 0.00 134 T 7.59 3.95 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 1.16 0.00 0.00 135 Q 8.57 4.64 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 136 C 9.30 5.31 0.00 2.87 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 0.00 137 L 8.99 5.16 0.00 1.77 1.60 1.05 1.14 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 0.00 138 I 9.05 5.39 1.88 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.62 1.02 0.00 0.00 139 S 8.66 4.86 0.00 3.55 3.58 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 0.00 140 G 7.39 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.47 4.55 0.00 3.08 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 0.00 142 G 8.43 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 0.00 143 N 9.01 4.02 0.00 2.43 2.67 0.00 0.00 7.12 7.69 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 0.00 144 T 8.18 5.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 145 K 7.78 4.60 0.00 1.88 1.68 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.32 7.81 146 S 8.65 4.30 0.00 4.09 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 0.00 147 S 8.09 4.31 0.00 3.78 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 0.00 148 G 7.52 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 0.00 149 T 7.95 4.52 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 1.11 0.00 0.00 150 S 9.07 4.33 0.00 3.80 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.56 5.06 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.73 0.00 2.47 2.10 0.00 4.25 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 153 D 8.84 4.50 0.00 2.83 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 0.00 154 V 7.40 5.41 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 1.13 0.00 0.00 0.97 0.00 0.00 155 L 8.67 3.15 0.00 1.66 1.25 0.52 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.14 4.89 0.00 1.71 1.51 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.48 7.81 157 C 8.54 5.19 0.00 1.48 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 0.00 0.00 0.00 158 L 8.62 4.98 0.00 1.71 1.46 0.99 0.70 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 9.04 5.15 0.00 1.82 1.83 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.65 7.81 160 A 9.24 4.92 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 0.00 161 P 0.00 4.99 0.00 2.01 2.07 0.00 3.10 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 162 I 8.33 4.38 1.90 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.91 0.77 0.00 0.00 163 L 8.79 4.93 0.00 1.55 1.60 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.52 4.26 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 8.96 4.48 0.00 2.74 2.82 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 0.00 166 S 8.03 4.17 0.00 4.05 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 0.00 167 S 8.10 4.10 0.00 4.08 3.95 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 0.00 168 C 8.34 4.31 0.00 3.19 3.31 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 0.00 169 K 8.53 4.00 0.00 1.93 1.90 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.62 7.81 170 S 8.15 4.09 0.00 3.86 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 0.00 171 A 7.85 3.99 0.94 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 0.00 172 Y 7.70 4.97 0.00 3.32 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 0.00 173 P 0.00 4.68 0.00 2.09 2.05 0.00 3.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 174 G 8.99 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 8.20 4.33 0.00 2.53 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 176 I 7.80 4.42 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.99 1.01 0.00 0.00 177 T 8.23 4.48 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 1.26 0.00 0.00 178 S 8.52 4.37 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 0.00 179 N 8.23 4.97 0.00 2.95 3.14 0.00 0.00 6.62 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 0.00 180 M 7.96 5.59 0.00 1.88 2.12 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 181 F 8.78 5.14 0.00 3.16 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 0.00 182 C 9.25 5.93 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 9.13 5.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184A G 7.08 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 0.00 184 Y 8.39 4.51 0.00 3.06 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 0.00 185 L 8.65 4.07 0.00 1.72 1.72 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.21 4.07 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 187 G 7.75 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 188A G 9.93 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 0.00 188 K 7.42 4.83 0.00 1.32 1.61 0.00 0.85 0.00 0.00 0.78 0.00 0.00 2.56 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.17 7.81 189 D 8.95 4.80 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.15 4.91 0.00 4.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.20 4.77 0.00 2.96 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 0.00 192 Q 8.54 4.40 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.14 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 193 G 9.31 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 0.00 0.00 0.00 0.00 194 D 8.41 4.70 0.00 3.00 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 0.00 195 S 8.08 4.44 0.00 3.98 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 0.00 196 G 8.98 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 0.00 0.00 0.00 197 G 7.88 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 0.00 0.00 0.00 0.00 198 P 0.00 4.91 0.00 2.35 2.40 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 199 V 8.66 4.50 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.58 0.00 0.00 200 V 8.72 4.82 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 0.86 0.00 0.00 0.65 0.00 0.00 201 C 9.10 5.07 0.00 2.74 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 0.00 202 S 9.81 3.69 0.00 3.93 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 0.00 203 G 8.35 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 7.61 4.66 0.00 1.84 1.65 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *209 L 8.27 4.43 0.00 1.49 1.65 1.00 0.78 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 0.00 210 Q 8.90 4.50 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.45 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 211 G 8.08 5.32 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 0.00 212 I 8.20 5.29 1.93 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 0.89 0.97 0.00 0.00 213 V 8.84 3.75 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 0.89 0.00 0.00 1.17 0.00 0.00 214 S 8.42 4.81 0.00 3.89 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 0.00 215 W 7.58 4.93 0.00 3.35 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 0.00 216 G 8.40 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 0.00 217 S 8.79 4.63 0.00 4.34 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 *219 G 8.06 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 0.00 220 C 8.08 4.96 0.00 2.95 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 221A A 9.32 3.75 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 Q 7.43 4.47 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 222 K 8.48 4.08 0.00 1.72 1.72 0.00 1.93 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.56 7.81 223 N 9.15 4.20 0.00 2.78 2.78 0.00 0.00 6.99 6.61 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 0.00 224 K 7.56 4.30 0.00 1.83 1.91 0.00 1.78 0.00 0.00 2.01 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.26 7.81 225 P 0.00 4.64 0.00 2.25 2.10 0.00 3.50 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 226 G 8.52 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 7.82 4.38 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 0.40 0.00 0.00 -0.76 0.00 0.00 228 Y 8.21 4.89 0.00 1.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.67 4.28 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 1.24 0.00 0.00 230 K 9.48 5.16 0.00 2.13 1.93 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.60 7.81 231 V 8.91 3.94 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 1.23 0.00 0.00 1.14 0.00 0.00 232 C 8.31 4.38 0.00 3.16 3.22 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 0.00 233 N 7.96 4.36 0.00 2.46 2.24 0.00 0.00 6.75 7.61 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 0.00 234 Y 8.01 4.89 0.00 3.27 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 0.00 235 V 7.93 3.72 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 1.05 0.00 0.00 1.09 0.00 0.00 236 S 8.08 4.09 0.00 3.96 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 0.00 237 W 8.39 4.24 0.00 3.56 3.58 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 0.00 238 I 8.13 3.19 2.03 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 1.63 1.02 0.78 0.00 0.00 239 K 7.83 3.69 0.00 1.94 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.55 7.81 240 Q 8.19 3.89 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 241 T 7.34 3.51 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 0.70 0.00 0.00 242 I 7.13 2.66 1.57 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.20 0.59 0.00 0.00 243 A 7.63 3.93 1.26 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 0.00 0.00 244 S 7.37 4.49 0.00 4.07 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 0.00 245 N 7.88 4.67 0.00 3.13 2.96 0.00 0.00 6.78 7.42 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 * Residues marked with a * may have inaccurate shift predictions.