NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4179 8.3044 120.3450 55.0866 33.4127 173.6761 2 K 4.1596 8.7008 121.8635 56.3875 32.1020 175.7532 3 M 4.4378 8.7960 127.0068 56.8130 33.3619 177.6387 4 K 3.8449 8.2273 119.8631 59.9058 32.2078 178.3120 5 E 3.9960 8.2816 117.9652 59.2444 29.3967 178.8550 6 F 4.2969 8.4852 120.2189 61.5347 39.5065 177.0264 7 L 3.6130 8.7073 118.8263 57.6500 41.3695 179.2606 8 D 4.3616 8.6741 119.1704 57.3412 40.8270 178.4917 9 L 3.8833 8.2177 119.7398 57.9241 41.4751 179.4091 10 L 3.6888 7.8827 119.2159 58.3738 42.0360 178.6297 11 N 4.4395 8.4674 115.4141 55.4431 38.5693 176.3482 12 E 4.3629 8.2925 118.0286 55.5170 30.5451 176.3484 13 S 4.2746 7.4181 114.8957 58.0269 63.0634 174.3132 14 R 4.0920 8.5279 126.3285 58.6098 30.4686 176.8200 15 L 4.6163 8.3491 120.3796 53.9378 45.6686 174.9850 16 T 5.2789 8.6816 122.6012 61.6917 71.9276 173.3396 17 V 4.8923 9.0131 125.2965 60.0082 35.2505 174.4760 18 T 4.9930 8.7381 111.7425 59.9928 72.1176 172.4432 19 L 5.3242 8.9458 125.5984 53.6407 45.0436 175.3103 20 T 5.6314 8.7079 115.6472 59.2712 72.9020 173.3521 21 G 4.0867 8.0746 108.7822 44.2162 0.0000 172.7109 22 A 4.1592 8.0617 120.0046 54.2247 18.3525 180.3585 23 G 3.6316 8.3214 105.5667 48.5931 0.0000 175.5880 24 I 3.5457 7.6793 118.5107 62.8611 38.2337 176.9847 25 S 4.6753 7.8742 114.8189 59.0831 63.4765 175.8636 26 T 4.4482 7.2219 114.6577 63.9286 68.0485 174.2244 27 P 4.5174 0.0000 0.0000 64.1163 31.5024 177.5098 28 S 4.6132 7.7979 113.0067 58.2311 63.0887 174.7308 29 G 3.9037 8.4854 110.8314 45.1666 0.0000 173.2375 30 I 4.3603 7.4072 120.8533 58.4075 38.4437 173.5012 31 P 4.5523 0.0000 0.0000 62.4152 31.7924 176.5249 32 D 4.6568 8.3161 121.7646 52.5533 41.1821 175.7853 33 F 4.8224 8.5067 116.4344 59.4629 39.1958 176.1403 34 R 4.5192 7.2538 120.0898 53.7252 29.4712 174.3078 35 G 4.0496 7.9450 117.3465 44.9985 0.0000 170.4539 36 P 4.2466 0.0000 0.0000 64.5637 33.1309 177.2687 *46 N 4.0722 7.8213 116.2307 52.7714 39.5622 175.2269 47 V 2.7300 7.6068 117.7728 63.3455 31.8428 176.7179 48 F 4.9801 8.4553 118.5797 57.5324 39.1562 174.5727 49 D 5.3087 8.2392 122.4252 53.2206 42.8236 177.2120 50 I 3.1063 8.6428 124.0514 64.3685 37.8837 178.0940 51 D 4.4844 8.1101 119.2181 57.0868 40.6367 178.3884 52 F 3.9782 8.0499 120.8879 61.1031 39.6999 176.7817 53 F 3.8631 8.2020 120.2807 61.5561 38.8582 176.7786 54 Y 4.2015 7.3215 114.9150 61.0629 37.7012 178.1805 55 S 4.1266 8.0303 115.7688 60.6660 64.4415 174.6602 56 H 4.7352 7.8247 117.9630 52.7349 29.3259 172.4593 57 P 3.9780 0.0000 0.0000 65.0071 31.4881 178.4650 58 E 4.4160 8.0000 118.4756 58.7875 29.4940 178.9322 59 E 4.0538 8.1176 119.2098 59.1471 29.6380 178.5668 60 F 4.2158 8.2806 120.7758 61.8263 39.3181 176.8804 61 Y 4.1990 8.4321 116.3514 60.6899 36.8235 177.9256 62 R 3.9707 8.4561 120.2208 59.6128 30.1434 178.1547 63 F 4.0335 8.5092 120.3139 61.3279 39.2563 176.7027 64 A 3.2849 7.7481 120.4161 54.9476 17.6784 179.6529 65 K 4.1308 7.4724 118.1089 60.0349 32.1510 179.3643 66 E 4.2727 7.1405 114.1359 59.5717 30.2372 180.2999 67 G 3.5374 7.2614 103.8768 43.8985 0.0000 174.0779 68 I 4.3630 6.5833 119.3039 62.8567 39.1290 177.5735 69 F 4.6295 8.0559 118.5970 60.3426 38.9015 175.8733 70 P 4.4108 0.0000 0.0000 64.7560 31.1276 177.8901 71 M 4.2105 8.1809 118.1947 57.7795 31.5653 178.3493 72 L 4.1190 7.9808 119.1760 57.6497 41.9320 178.3170 73 Q 4.0897 7.9919 116.2998 57.6551 28.9267 176.5515 74 A 4.1874 7.6442 121.9984 51.7358 18.9790 176.8501 75 K 4.6214 8.2585 121.8500 53.4696 34.3548 174.8358 76 P 4.3169 0.0000 0.0000 62.9319 31.8823 175.0977 77 N 5.0159 8.5452 116.7948 50.6295 40.0971 174.9592 78 L 3.9215 8.4006 117.9527 58.1257 41.7964 178.7532 79 A 3.9837 8.1822 120.9696 55.3797 18.4004 179.1190 80 H 4.1339 8.2924 114.2948 59.1710 28.7972 177.9941 81 V 3.6124 7.9647 119.9539 65.8960 31.3871 177.7330 82 L 3.9990 8.5971 120.9181 58.2682 41.8113 179.0376 83 L 4.1327 8.1093 118.7359 57.5370 41.4560 179.3006 84 A 3.9983 8.1180 120.8291 55.2233 18.2846 179.8785 85 K 4.0662 8.4717 117.4137 59.5435 32.0289 179.6951 86 L 3.9828 8.5342 119.7429 57.6056 41.5520 179.0227 87 E 4.1950 8.7546 121.2031 58.7588 29.3827 178.7264 88 E 3.9999 8.1132 116.4285 59.2149 29.6665 178.4172 89 K 4.3014 8.1085 116.7883 56.0743 32.3570 177.7259 90 G 3.9070 7.9084 107.5943 45.9121 0.0000 174.5512 91 L 4.3687 8.1793 119.8705 54.9717 42.3295 176.6710 92 I 4.7269 7.2915 111.6345 59.1321 40.5978 175.8810 93 E 4.2563 9.7447 126.1367 58.8515 30.3335 175.9694 94 A 4.6458 7.6497 118.1755 51.0365 23.1361 175.1447 95 V 5.0011 9.0308 120.2023 60.6228 33.7137 174.5936 96 I 4.5684 9.2423 130.7055 60.3988 38.7998 174.9032 97 T 4.9855 9.3174 122.0837 60.5305 70.5313 174.0783 98 Q 3.9821 8.8771 125.5156 56.5023 29.4203 176.1004 99 N 4.5696 8.4224 118.4135 52.7920 40.0377 175.6890 100 I 4.6762 8.4575 113.2505 59.9295 38.0981 176.2936 101 D 4.5868 7.9685 119.1116 53.1487 40.1381 176.8921 102 R 4.4070 7.8856 117.2203 56.9445 27.8606 177.9095 103 L 3.9002 8.6203 121.4191 57.7224 41.3032 179.0773 104 H 4.2141 7.9973 116.1448 58.8954 28.6940 177.6173 105 Q 4.2513 7.9109 120.7165 58.5868 28.4466 178.8048 106 R 3.9630 7.9992 117.8874 58.8658 30.1250 178.3268 107 A 4.2774 7.7094 119.0857 52.5642 18.7749 178.0652 108 G 4.0602 7.7076 104.6965 45.1073 0.0000 174.4198 109 S 4.4228 8.5321 117.2925 58.5912 63.5621 174.7816 110 K 4.1531 9.8780 126.9782 58.8136 32.9554 178.6156 111 K 4.3952 8.5690 127.2670 53.5627 31.2563 175.5706 112 V 4.6855 7.9732 124.6308 60.5306 34.0272 174.3217 113 I 4.1866 8.9969 130.0029 59.8936 38.6350 175.1327 114 E 4.4545 8.5693 128.5168 54.9762 28.9845 177.0924 115 L 3.7191 8.6037 126.3993 56.4522 42.4183 178.0671 116 Y 4.8595 7.2826 115.1478 57.4204 39.3758 176.8380 117 G 4.2445 8.9620 108.9958 46.1199 0.0000 172.6841 118 N 4.8025 8.1204 115.8471 52.6024 39.8767 175.0056 119 V 4.1388 8.3248 110.4579 61.5611 31.9334 177.1248 120 E 4.5644 8.6856 121.7492 57.8334 30.8754 176.0068 121 E 5.1728 7.9015 118.9373 54.9036 32.1521 174.9523 122 Y 5.2825 9.3282 120.4289 56.9463 43.0920 173.5865 123 Y 5.6906 9.3440 118.7024 56.0598 42.1792 173.5105 124 C 4.7578 9.8686 122.9067 59.5136 32.0440 174.8165 125 V 3.7518 9.2573 127.2423 64.9448 30.7322 177.4043 126 R 4.1293 7.7206 120.0252 58.1399 29.8563 176.4974 127 C 4.3433 7.9827 111.4118 58.1422 30.6670 174.5883 128 E 4.2819 8.5636 118.9647 56.7881 27.1383 174.0138 129 K 4.0957 7.5829 122.1249 56.8155 33.0717 176.2617 130 K 4.9917 8.6644 127.0212 56.7247 32.9828 175.9211 131 Y 4.8678 9.6668 121.3754 56.3804 42.5943 175.3517 132 T 4.9656 9.0172 112.4276 60.5597 70.6515 176.1922 133 V 3.4026 8.5747 122.9100 65.4355 31.0553 178.5445 134 E 3.7884 8.0743 118.4402 58.5237 29.2913 178.6210 135 D 4.3522 8.1127 119.3336 57.5641 40.9019 179.0860 136 V 3.2921 7.5203 118.2992 65.8462 31.1796 177.9625 137 I 3.3418 7.3338 121.2048 64.7493 37.1817 178.8149 138 K 4.0607 7.9754 124.3738 59.8004 31.5607 180.8189 139 K 4.0384 8.2183 120.5093 59.3657 31.8095 179.1207 140 L 4.8011 7.7252 118.3316 56.2679 41.5698 178.7181 141 E 4.1729 8.1084 118.6153 58.0190 29.5172 177.3868 142 S 4.6537 7.9887 111.0012 57.8993 65.5175 173.7539 143 S 4.7521 7.9538 114.8784 55.9640 65.3264 174.2371 144 D 4.5159 8.6020 123.7529 55.5158 39.7077 176.6099 145 V 4.5043 7.2989 111.0210 58.4366 35.7203 172.8523 146 P 4.4038 0.0000 0.0000 62.4675 32.6243 174.8523 147 L 5.1609 8.0664 122.5214 52.4771 44.7164 175.8761 148 C 4.1201 9.3318 123.9356 60.2202 32.1762 174.3569 149 D 4.5980 9.7642 124.6393 56.1940 41.0693 177.5328 150 D 4.6361 8.2935 118.6056 56.2571 41.8509 177.0836 151 C 4.6185 7.9165 110.5992 57.0430 30.1701 173.5880 152 N 4.3320 8.1413 115.2606 53.8199 37.2148 173.6992 153 S 4.6310 7.3460 112.1963 57.0395 65.2215 173.0240 154 L 4.3701 8.3851 122.9986 55.4900 42.9274 175.5028 155 I 4.9153 8.4157 127.6247 60.3634 38.3094 175.3852 156 R 5.3121 9.5001 122.9400 52.3573 32.8741 173.1574 157 P 3.9251 0.0000 0.0000 61.8762 32.5474 175.7460 158 N 5.1167 8.5811 121.3505 53.7275 37.4432 173.6451 159 I 4.8068 7.2305 111.9910 59.0786 41.2675 176.5083 160 V 4.2069 8.1847 123.7537 62.2375 31.9029 175.8640 161 F 4.4575 9.8368 127.4978 56.3218 40.8918 175.4975 162 F 4.2914 9.0892 120.3821 59.5593 39.1237 176.9512 163 G 4.1138 9.3075 113.1668 45.1759 0.0000 173.0473 164 E 4.6828 7.6700 118.5866 54.6700 31.3114 175.7206 165 N 4.6777 8.4107 118.4253 52.9020 39.4578 175.4369 166 L 4.3911 8.2291 121.0733 53.3138 42.8737 175.7820 167 P 4.4015 0.0000 0.0000 63.7357 32.2210 177.8194 168 Q 4.0376 8.8079 124.5277 60.4365 27.9825 175.4983 169 D 4.5170 8.0039 120.0306 57.0202 40.9835 178.4822 170 A 3.9287 7.8938 120.8024 55.0547 18.3915 179.2809 171 L 3.8851 7.9718 121.1842 59.0195 42.1416 179.9211 172 R 3.9591 8.3604 121.0269 61.4537 29.1777 180.1776 173 E 4.0802 8.5537 120.0456 58.9927 29.5882 178.8228 174 A 3.9142 8.1516 120.9489 55.1687 18.4671 179.5779 175 I 3.6950 8.1393 118.8812 64.6216 37.2932 178.9875 176 G 3.6582 8.3941 106.8097 47.7469 0.0000 175.7967 177 L 4.0503 8.3111 121.7114 57.5185 41.6741 179.7246 178 S 4.1905 8.5058 116.9129 61.0711 62.5676 176.9105 179 S 4.2095 8.2227 117.5605 60.7510 62.8163 176.1668 180 R 4.1591 7.8037 119.7317 56.4739 30.6065 177.0061 181 A 4.1644 7.6177 123.2302 52.4264 18.9003 178.1084 182 S 4.4891 8.6205 116.4809 59.7570 64.8712 173.5903 183 L 5.1584 8.3643 123.6937 53.8561 45.6097 173.9706 184 M 5.1331 9.5490 126.3551 53.7789 35.2075 174.1734 185 I 5.1476 9.4003 127.7284 59.6654 39.9374 174.5770 186 V 4.6439 9.0925 128.3105 61.5991 33.4694 174.5937 187 L 5.2517 8.7044 127.4952 53.2449 45.2085 177.0329 188 G 3.8477 9.1985 113.6949 46.7584 0.0000 172.9718 189 S 4.8391 7.8128 111.8730 55.9920 65.5700 173.6991 190 S 4.2661 8.7671 120.4273 58.8073 63.7093 173.6862 191 L 3.6589 7.7245 119.9932 56.6887 38.8517 175.1211 192 V 4.3374 7.8086 108.4701 60.8219 33.9621 176.2019 193 V 4.3321 7.5933 121.0209 61.4597 32.0613 174.4812 194 Y 4.3516 8.7392 125.4304 57.0076 38.8053 173.8125 195 P 4.7495 0.0000 0.0000 63.2072 32.5249 177.6337 196 A 3.8378 7.8691 121.0245 55.3686 17.9509 179.4468 197 A 3.8564 7.9373 118.7845 54.9624 18.6017 178.8602 198 E 4.0375 8.0541 115.6724 57.2026 29.7862 178.7083 199 L 3.8727 7.6217 120.4188 57.4003 41.7556 177.4953 200 P 4.1373 0.0000 0.0000 65.3392 31.1815 178.4360 201 L 3.8985 7.1899 118.7908 57.8623 42.0651 178.7389 202 I 3.6682 7.7333 119.9118 64.7025 36.9941 178.4564 203 T 4.5934 7.6115 117.6814 66.2358 68.2927 176.9607 204 V 4.0268 7.6804 121.3345 65.7101 31.3986 178.2604 205 R 3.9620 8.2393 116.8604 59.2426 29.9909 178.5953 206 S 4.4294 8.0824 113.7376 58.6086 62.8438 175.3066 207 G 4.1581 7.7730 108.9931 44.9652 0.0000 174.1060 208 G 4.2594 8.6246 108.2083 44.6621 0.0000 173.2531 209 K 4.7421 9.3194 120.3354 54.6382 35.0683 175.4971 210 L 5.1953 8.3561 123.3756 53.3205 45.3261 175.0074 211 V 5.0441 9.5626 126.6672 61.2017 34.5303 174.0162 212 I 4.8558 8.9505 128.3162 59.4346 40.3902 174.6684 213 V 4.4505 9.0456 127.3877 61.5853 33.6501 173.6695 214 N 4.8415 8.7384 124.7576 52.9844 42.2958 175.5132 215 L 3.9107 8.8334 125.5978 57.4576 42.0933 177.8214 216 G 3.9802 7.5209 105.8914 43.8434 0.0000 172.9040 217 E 4.3423 8.4283 118.6668 56.4361 30.2830 176.7592 218 T 4.8547 8.8254 110.9565 59.0813 71.7385 173.2953 219 P 4.1595 0.0000 0.0000 64.3593 31.4777 177.1524 220 F 4.9659 7.6519 115.6382 56.2659 39.6223 176.8231 221 D 4.4633 8.0908 123.7923 57.5218 41.0312 178.8699 222 D 4.3688 8.1948 118.3221 55.5787 39.5555 177.3475 223 I 4.3381 7.6380 110.6616 60.2717 38.2096 175.5464 224 A 4.3533 7.4453 125.2694 52.4563 18.9046 178.0638 225 T 4.1919 8.9289 120.0911 66.0721 69.3261 175.3561 226 L 4.8076 7.8876 119.6891 52.6755 46.2471 175.5103 227 K 4.9171 8.4838 123.4401 54.8037 35.0641 174.6240 228 Y 4.2633 9.4059 126.0263 56.5034 39.5376 174.8236 229 N 5.7981 8.8747 124.2698 50.9098 36.9435 174.2141 230 M 4.7477 7.7068 117.6488 53.6624 34.7605 174.6895 231 D 4.4279 8.6919 119.3701 54.4038 42.1382 177.6203 232 V 3.6635 8.5251 119.4597 64.6027 31.4723 179.0170 233 V 3.5673 8.0224 118.0205 65.9503 31.3359 177.7886 234 E 3.9468 8.3794 118.6912 58.9922 29.5641 178.2963 235 F 3.9653 8.6311 120.9897 61.1411 39.4680 176.8146 236 A 3.7444 8.2293 120.5171 55.1521 18.1392 179.4628 237 R 3.7660 8.1480 117.4293 59.6360 30.0501 178.8441 238 R 3.7910 8.0869 118.0646 59.2912 29.9956 179.1265 239 V 3.3298 7.6572 118.1608 66.2011 31.2870 178.0340 240 M 3.9948 7.9542 118.2659 58.2779 31.6697 178.6006 241 E 4.0825 8.4248 119.0457 59.6954 29.5189 179.4235 242 E 4.1396 8.3323 117.3353 58.5881 29.6449 178.6716 243 G 3.9215 8.2107 103.7850 43.9860 0.0000 174.1763 244 G 3.9498 7.4656 108.5225 47.4017 0.0000 175.1105 245 I 4.0098 7.7824 121.5809 62.1696 37.5944 176.2951 246 S 4.3520 8.8881 122.6739 58.4917 63.0269 173.7168 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 1 M 8.30 4.42 0.00 2.19 2.57 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 2 K 8.70 4.16 0.00 1.84 1.83 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.68 1.68 7.81 3 M 8.80 4.44 0.00 2.06 2.10 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 2.68 2.73 0.00 4 K 8.23 3.84 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.58 7.81 5 E 8.28 4.00 0.00 2.25 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 0.00 2.45 2.48 0.00 6 F 8.49 4.30 0.00 3.43 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 7 L 8.71 3.61 0.00 1.83 1.67 0.94 1.19 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 8 D 8.67 4.36 0.00 2.86 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 9 L 8.22 3.88 0.00 1.72 1.67 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.88 3.69 0.00 0.94 1.55 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.47 4.44 0.00 2.83 2.82 0.00 0.00 7.05 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.29 4.36 0.00 1.90 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 2.26 2.32 0.00 13 S 7.42 4.27 0.00 3.87 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 14 R 8.53 4.09 0.00 1.83 1.96 0.00 3.23 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 15 L 8.35 4.62 0.00 1.65 1.52 0.91 0.73 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 16 T 8.68 5.28 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 1.22 0.00 0.00 17 V 9.01 4.89 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 0.79 0.00 0.00 0.96 0.00 0.00 18 T 8.74 4.99 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 1.25 0.00 0.00 19 L 8.95 5.32 0.00 1.62 1.45 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.71 5.63 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 1.21 0.00 0.00 21 G 8.07 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 22 A 8.06 4.16 1.15 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 23 G 8.32 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 0.00 0.00 0.00 24 I 7.68 3.55 1.83 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 1.28 0.77 0.92 0.00 0.00 25 S 7.87 4.68 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 26 T 7.22 4.45 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 1.36 0.00 0.00 27 P 0.00 4.52 0.00 2.04 2.15 0.00 3.74 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 1.99 2.16 0.00 28 S 7.80 4.61 0.00 4.05 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 29 G 8.49 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 30 I 7.41 4.36 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.91 0.00 0.00 31 P 0.00 4.55 0.00 2.14 2.05 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 32 D 8.32 4.66 0.00 2.76 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 33 F 8.51 4.82 0.00 3.05 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 34 R 7.25 4.52 0.00 1.84 1.88 0.00 3.38 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 35 G 7.94 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 0.00 0.00 0.00 36 P 0.00 4.25 0.00 2.20 2.20 0.00 3.58 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 *46 N 7.82 4.07 0.00 2.46 2.51 0.00 0.00 7.23 7.71 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 47 V 7.61 2.73 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.48 0.00 0.00 48 F 8.46 4.98 0.00 3.60 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.24 5.31 0.00 2.98 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 50 I 8.64 3.11 1.99 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 1.03 0.00 0.00 51 D 8.11 4.48 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.05 3.98 0.00 3.21 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 53 F 8.20 3.86 0.00 2.52 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 54 Y 7.32 4.20 0.00 2.94 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 55 S 8.03 4.13 0.00 3.51 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.82 4.74 0.00 1.99 2.76 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.98 0.00 2.19 1.66 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.68 0.00 58 E 8.00 4.42 0.00 2.24 2.37 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 2.39 2.22 0.00 59 E 8.12 4.05 0.00 2.28 2.34 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 2.39 2.31 0.00 60 F 8.28 4.22 0.00 3.45 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 61 Y 8.43 4.20 0.00 3.29 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 62 R 8.46 3.97 0.00 2.07 2.20 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 63 F 8.51 4.03 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.75 3.28 0.42 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 65 K 7.47 4.13 0.00 1.70 1.98 0.00 1.88 0.00 0.00 2.11 0.00 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.81 1.71 7.81 66 E 7.14 4.27 0.00 2.08 1.85 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 2.22 2.18 0.00 67 G 7.26 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 6.58 4.36 1.51 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.89 1.12 0.00 0.00 69 F 8.06 4.63 0.00 3.00 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 70 P 0.00 4.41 0.00 2.14 2.25 0.00 3.67 0.00 0.00 3.94 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 71 M 8.18 4.21 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.62 0.00 72 L 7.98 4.12 0.00 1.70 1.77 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.99 4.09 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 74 A 7.64 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.26 4.62 0.00 1.74 1.72 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.53 7.81 76 P 0.00 4.32 0.00 2.18 2.19 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 77 N 8.55 5.02 0.00 2.95 3.01 0.00 0.00 5.68 6.67 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 78 L 8.40 3.92 0.00 1.77 1.71 0.91 1.06 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 79 A 8.18 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.29 4.13 0.00 3.40 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.96 3.61 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 0.98 0.00 0.00 1.02 0.00 0.00 82 L 8.60 4.00 0.00 1.74 1.84 0.91 0.04 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 83 L 8.11 4.13 0.00 1.95 1.73 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.12 4.00 1.45 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 0.00 0.00 85 K 8.47 4.07 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.62 7.81 86 L 8.53 3.98 0.00 1.81 1.75 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.75 4.20 0.00 2.10 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 2.30 2.18 0.00 88 E 8.11 4.00 0.00 2.15 2.29 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 2.46 2.35 0.00 89 K 8.11 4.30 0.00 1.73 1.88 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.59 7.81 90 G 7.91 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 91 L 8.18 4.37 0.00 1.71 1.69 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.29 4.73 1.88 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 1.33 0.96 0.95 0.00 0.00 93 E 9.74 4.26 0.00 1.88 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 94 A 7.65 4.65 1.20 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 0.00 0.00 95 V 9.03 5.00 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 0.48 0.00 0.00 0.86 0.00 0.00 96 I 9.24 4.57 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 0.77 0.00 0.00 97 T 9.32 4.99 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 1.25 0.00 0.00 98 Q 8.88 3.98 0.00 1.93 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.67 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 99 N 8.42 4.57 0.00 2.63 2.81 0.00 0.00 6.44 7.59 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 0.00 100 I 8.46 4.68 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.70 0.92 0.00 0.00 101 D 7.97 4.59 0.00 2.77 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 0.00 102 R 7.89 4.41 0.00 2.03 2.06 0.00 3.76 0.00 0.00 3.47 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 103 L 8.62 3.90 0.00 1.53 1.12 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.00 4.21 0.00 3.18 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.91 4.25 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 106 R 8.00 3.96 0.00 1.85 1.97 0.00 3.13 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 107 A 7.71 4.28 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 0.00 108 G 7.71 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 0.00 0.00 0.00 109 S 8.53 4.42 0.00 3.94 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 0.00 110 K 9.88 4.15 0.00 1.91 1.84 0.00 1.70 0.00 0.00 2.01 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.50 7.81 111 K 8.57 4.40 0.00 1.42 1.72 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.25 7.81 112 V 7.97 4.69 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 0.94 0.00 0.00 0.91 0.00 0.00 113 I 9.00 4.19 1.78 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 1.29 0.81 0.85 0.00 0.00 114 E 8.57 4.45 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 115 L 8.60 3.72 0.00 0.42 0.85 0.59 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.28 4.86 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.96 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 0.00 0.00 0.00 0.00 118 N 8.12 4.80 0.00 3.09 3.04 0.00 0.00 5.93 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 0.00 119 V 8.32 4.14 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 0.86 0.00 0.00 1.10 0.00 0.00 120 E 8.69 4.56 0.00 2.22 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 2.42 2.39 0.00 121 E 7.90 5.17 0.00 2.06 1.92 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 2.31 2.44 0.00 122 Y 9.33 5.28 0.00 3.16 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 0.00 123 Y 9.34 5.69 0.00 3.23 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 0.00 124 C 9.87 4.76 0.00 3.25 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 0.00 125 V 9.26 3.75 2.29 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 0.89 0.00 0.00 1.12 0.00 0.00 126 R 7.72 4.13 0.00 1.82 1.99 0.00 3.30 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 127 C 7.98 4.34 0.00 3.20 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 0.00 128 E 8.56 4.28 0.00 2.20 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 2.35 2.33 0.00 129 K 7.58 4.10 0.00 2.15 1.95 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.19 1.36 7.81 130 K 8.66 4.99 0.00 1.67 1.77 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.51 7.81 131 Y 9.67 4.87 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.02 4.97 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 1.27 0.00 0.00 133 V 8.57 3.40 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 1.04 0.00 0.00 1.07 0.00 0.00 134 E 8.07 3.79 0.00 1.99 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 2.31 2.36 0.00 135 D 8.11 4.35 0.00 3.08 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 0.00 136 V 7.52 3.29 1.57 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 0.80 0.00 0.00 0.48 0.00 0.00 137 I 7.33 3.34 1.71 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.28 0.75 0.00 0.00 138 K 7.98 4.06 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 139 K 8.22 4.04 0.00 1.72 1.75 0.00 1.31 0.00 0.00 1.39 0.00 0.00 2.93 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.37 1.53 7.81 140 L 7.73 4.80 0.00 1.79 1.78 1.19 1.19 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 0.00 141 E 8.11 4.17 0.00 2.05 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 2.32 2.50 0.00 142 S 7.99 4.65 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 0.00 143 S 7.95 4.75 0.00 3.80 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 0.00 144 D 8.60 4.52 0.00 2.90 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 0.00 145 V 7.30 4.50 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 0.87 0.00 0.00 0.93 0.00 0.00 146 P 0.00 4.40 0.00 1.74 1.77 0.00 3.25 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.96 0.00 147 L 8.07 5.16 0.00 1.45 1.54 0.97 0.88 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 0.00 148 C 9.33 4.12 0.00 3.12 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 0.00 149 D 9.76 4.60 0.00 2.82 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 0.00 150 D 8.29 4.64 0.00 2.73 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 0.00 151 C 7.92 4.62 0.00 3.10 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 0.00 152 N 8.14 4.33 0.00 2.84 2.90 0.00 0.00 7.37 7.63 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 0.00 153 S 7.35 4.63 0.00 4.00 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 0.00 154 L 8.39 4.37 0.00 1.81 1.65 1.05 0.77 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 0.00 155 I 8.42 4.92 1.84 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.53 1.01 0.00 0.00 156 R 9.50 5.31 0.00 1.00 2.01 0.00 2.85 0.00 0.00 2.95 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 157 P 0.00 3.93 0.00 1.83 1.91 0.00 2.96 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 158 N 8.58 5.12 0.00 3.08 2.82 0.00 0.00 6.92 7.77 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 0.00 159 I 7.23 4.81 1.73 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.01 0.87 0.00 0.00 160 V 8.18 4.21 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 0.74 0.00 0.00 1.03 0.00 0.00 161 F 9.84 4.46 0.00 2.91 3.14 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 0.00 162 F 9.09 4.29 0.00 3.32 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 0.00 163 G 9.31 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 0.00 164 E 7.67 4.68 0.00 2.14 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 2.37 2.49 0.00 165 N 8.41 4.68 0.00 2.75 2.79 0.00 0.00 7.00 7.85 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 0.00 166 L 8.23 4.39 0.00 1.69 1.65 1.10 1.11 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 0.00 167 P 0.00 4.40 0.00 2.25 2.20 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 168 Q 8.81 4.04 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 169 D 8.00 4.52 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.89 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 0.00 171 L 7.97 3.89 0.00 1.79 1.81 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.36 3.96 0.00 1.82 1.93 0.00 3.32 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 173 E 8.55 4.08 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 2.27 2.30 0.00 174 A 8.15 3.91 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 0.00 175 I 8.14 3.69 1.98 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 1.44 0.61 0.90 0.00 0.00 176 G 8.39 3.66 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 0.00 0.00 0.00 177 L 8.31 4.05 0.00 1.70 1.69 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.51 4.19 0.00 3.96 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 0.00 179 S 8.22 4.21 0.00 3.96 4.10 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 0.00 180 R 7.80 4.16 0.00 1.90 2.01 0.00 3.16 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 181 A 7.62 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.49 0.00 3.90 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 0.00 183 L 8.36 5.16 0.00 1.72 1.48 1.00 0.55 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 0.00 184 M 9.55 5.13 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 185 I 9.40 5.15 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 0.95 0.00 0.00 186 V 9.09 4.64 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 0.95 0.00 0.00 0.89 0.00 0.00 187 L 8.70 5.25 0.00 1.56 1.43 0.91 0.61 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 0.00 188 G 9.20 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 0.00 0.00 0.00 189 S 7.81 4.84 0.00 3.87 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 0.00 190 S 8.77 4.27 0.00 4.05 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 0.00 191 L 7.72 3.66 0.00 2.05 2.02 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.81 4.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 193 V 7.59 4.33 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 1.08 0.00 0.00 1.22 0.00 0.00 194 Y 8.74 4.35 0.00 3.16 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 0.00 195 P 0.00 4.75 0.00 2.28 2.40 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 196 A 7.87 3.84 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 0.00 197 A 7.94 3.86 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 0.00 198 E 8.05 4.04 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 199 L 7.62 3.87 0.00 1.57 1.61 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.14 0.00 1.67 1.96 0.00 3.25 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 201 L 7.19 3.90 0.00 1.46 1.52 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 202 I 7.73 3.67 1.99 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 1.50 0.88 0.88 0.00 0.00 203 T 7.61 4.59 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 1.24 0.00 0.00 204 V 7.68 4.03 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 1.36 0.00 0.00 1.04 0.00 0.00 205 R 8.24 3.96 0.00 1.97 2.00 0.00 3.40 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 206 S 8.08 4.43 0.00 4.05 3.97 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 0.00 207 G 7.77 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 G 8.62 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 9.32 4.74 0.00 1.67 1.74 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 210 L 8.36 5.20 0.00 1.73 1.50 0.93 0.77 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 0.00 211 V 9.56 5.04 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.20 0.00 0.00 212 I 8.95 4.86 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 1.13 0.89 0.90 0.00 0.00 213 V 9.05 4.45 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 0.45 0.00 0.00 -0.59 0.00 0.00 214 N 8.74 4.84 0.00 2.72 2.55 0.00 0.00 6.86 6.25 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 0.00 215 L 8.83 3.91 0.00 1.67 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 216 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 0.00 217 E 8.43 4.34 0.00 1.96 1.87 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 2.30 2.28 0.00 218 T 8.83 4.85 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 1.28 0.00 0.00 219 P 0.00 4.16 0.00 0.92 1.76 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 220 F 7.65 4.97 0.00 3.16 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 0.00 221 D 8.09 4.46 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 D 8.19 4.37 0.00 2.82 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 0.00 223 I 7.64 4.34 1.94 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 1.48 0.90 0.99 0.00 0.00 224 A 7.45 4.35 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 T 8.93 4.19 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 226 L 7.89 4.81 0.00 1.74 1.46 1.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.48 4.92 0.00 1.66 1.57 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.43 7.81 228 Y 9.41 4.26 0.00 2.51 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 0.00 229 N 8.87 5.80 0.00 2.60 2.77 0.00 0.00 7.08 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 0.00 230 M 7.71 4.75 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 231 D 8.69 4.43 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 V 8.53 3.66 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 0.68 0.00 0.00 0.94 0.00 0.00 233 V 8.02 3.57 2.29 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 1.05 0.00 0.00 0.96 0.00 0.00 234 E 8.38 3.95 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 235 F 8.63 3.97 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.23 3.74 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 R 8.15 3.77 0.00 1.97 2.03 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 238 R 8.09 3.79 0.00 1.74 1.80 0.00 3.31 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 239 V 7.66 3.33 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 1.11 0.00 0.00 -0.27 0.00 0.00 240 M 7.95 3.99 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 241 E 8.42 4.08 0.00 1.89 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 2.47 2.46 0.00 242 E 8.33 4.14 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 243 G 8.21 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 0.00 244 G 7.47 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 0.00 0.00 0.00 245 I 7.78 4.01 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.90 0.00 0.00 246 S 8.89 4.35 0.00 3.74 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 * Residues marked with a * may have inaccurate shift predictions.