NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1972 8.2649 123.5808 53.4504 20.0230 176.0554 3 H 3.6782 8.5005 115.9502 55.2452 26.8972 173.8475 4 E 3.8959 8.6405 123.8100 59.5056 30.5981 177.1344 5 A 4.0223 7.8610 120.2439 55.1749 18.4429 179.5327 6 Q 4.0142 7.8875 116.1986 59.0749 28.9016 178.7805 7 K 4.1885 8.3784 119.4129 59.2954 31.8156 179.2538 8 A 4.0024 7.9487 120.4019 55.1861 18.6754 179.3138 9 I 3.7843 7.6910 117.5955 64.6684 37.2515 178.5575 10 A 4.0486 8.2933 121.3924 55.1375 17.9371 179.7105 11 R 3.9849 7.8530 115.5179 58.7453 30.1699 178.1215 12 N 4.5703 7.9007 115.0843 53.6314 39.2273 175.5925 13 S 4.7036 7.3951 115.5742 56.8722 64.4749 174.7595 14 L 3.9057 8.7588 123.9314 58.5369 41.3928 178.9813 15 L 3.8244 7.5387 118.4008 58.5730 42.3158 178.8366 16 I 3.8313 7.5134 118.8871 64.2187 36.8885 178.6086 17 R 3.9723 8.1832 118.5147 59.2463 29.9698 178.7611 18 S 4.3253 7.9914 113.5879 59.3886 62.9942 174.3310 19 L 4.4550 6.9630 121.8670 52.9594 42.4282 174.9594 20 P 4.4227 0.0000 0.0000 62.4413 31.9922 177.0541 21 E 3.9370 9.0810 121.2929 59.7675 29.0008 179.0759 22 Q 4.1015 8.0287 115.9316 57.9985 28.9893 176.6400 23 H 4.7845 8.3224 117.6058 55.8588 29.6463 176.6743 24 V 3.6115 7.4747 121.3742 66.1386 31.4209 177.5421 25 D 4.3313 8.0856 117.7723 57.4019 40.5365 178.4613 26 A 4.0341 7.9313 119.5128 55.0637 18.7040 179.0049 27 L 4.0500 7.7204 118.7656 58.2670 42.2697 179.1207 28 L 3.9857 8.1870 119.1166 57.8213 41.3200 179.3690 29 S 4.4702 8.1302 113.5737 60.2828 62.7865 174.8274 30 Q 4.4568 7.5993 119.2856 55.3666 28.8351 175.5875 31 A 4.1193 7.5398 120.3513 51.9149 19.1890 177.6028 32 V 4.2255 8.2650 120.5263 60.9659 33.1759 175.0440 33 W 4.9544 8.8403 127.9038 55.4279 30.5137 175.8817 34 R 4.7804 9.1861 122.9524 54.5505 34.0296 174.4299 35 S 5.3633 8.4588 117.1444 57.1721 65.6904 173.1826 36 Y 4.9460 8.8650 119.8104 56.2954 41.8244 175.1393 37 D 4.9149 9.3654 123.4921 53.5074 42.6207 175.9740 38 R 4.0073 8.5736 120.6001 58.3893 30.2467 177.0898 39 G 3.9506 9.1840 113.3482 45.3028 0.0000 172.9748 40 E 4.3579 8.1750 121.8836 55.8358 31.0457 175.8674 41 T 4.3490 8.5381 123.3760 64.0976 68.6958 174.2070 42 L 4.2729 8.5324 127.2924 56.7734 42.5955 176.7115 43 F 5.0024 6.9530 111.0574 56.0150 41.3057 172.5977 44 L 4.9804 9.2358 119.2008 52.3342 45.2286 176.1591 45 Q 4.3829 8.5411 122.5495 58.2402 29.3229 178.3926 46 E 4.1250 9.4343 123.1918 56.6525 28.9274 174.7892 47 E 4.3259 8.0842 118.5698 55.5714 30.2890 176.2286 48 K 4.0806 8.2857 119.8169 56.2793 32.6198 178.0015 49 A 3.3505 7.7497 126.4878 51.3144 17.1387 176.7864 50 Q 4.4987 8.1110 118.1553 56.4062 30.3196 174.7181 51 A 5.0293 7.5769 119.2175 50.8471 22.5489 175.4032 52 I 4.1678 8.4086 120.0440 59.8641 40.0673 174.7005 53 H 4.8582 8.1402 122.1637 53.7834 31.4035 173.3618 54 V 4.6389 7.7325 121.2490 60.8210 34.6403 174.4401 55 V 4.0323 8.7749 129.2628 63.3347 31.8203 176.4386 56 I 4.1476 8.7690 129.0744 63.2393 38.5363 175.7076 57 D 4.4839 8.0896 119.1714 54.4026 44.8196 176.2941 58 G 4.1679 9.0401 110.2066 45.2323 0.0000 171.2371 59 W 5.2363 8.8550 117.2236 54.8167 32.8415 174.9756 60 V 4.9683 9.2267 124.7639 60.8783 34.0001 174.2218 61 K 5.0938 8.9844 126.7192 55.2368 35.5087 174.8503 62 L 5.3043 8.9941 122.7065 53.1658 44.3986 175.4672 63 F 5.4584 8.5914 117.0529 54.5718 41.7029 174.2846 64 R 5.2354 9.1226 116.1012 55.9586 32.2921 177.5144 *66 T 4.4141 8.4711 107.7188 60.6137 69.5428 172.8652 67 P 4.3884 0.0000 0.0000 65.4178 31.5759 178.2314 68 T 3.8679 7.8522 113.7985 65.1180 68.3759 175.0493 69 G 3.9611 8.1918 109.5763 45.1412 0.0000 173.3578 70 S 4.6315 7.7541 115.1342 57.2453 64.2991 174.0447 71 E 4.4106 8.7251 122.9921 56.2714 30.0884 176.2552 72 A 4.5250 9.0636 128.6723 50.1145 20.3749 176.2794 73 V 4.1033 8.4037 122.9526 64.0907 31.5624 175.7896 74 V 4.1895 8.8379 128.0474 64.8058 32.9602 175.7186 75 S 4.5655 7.5018 113.0542 57.6761 67.2501 174.5138 76 V 4.9144 7.9839 114.2334 59.7252 34.7895 175.1766 77 F 5.1160 9.3256 122.4293 56.3215 43.2744 174.2681 78 T 4.5530 9.3466 114.8077 59.3306 70.9837 172.7005 79 R 4.0121 8.1714 117.4563 58.2032 29.4931 176.6794 80 G 3.9109 9.3193 109.1468 45.4624 0.0000 172.0387 81 E 5.0002 7.9470 119.0982 54.2472 32.5537 175.4794 82 S 5.2060 8.5258 118.0473 57.1526 65.8504 172.7080 83 F 4.5999 8.7085 115.2699 56.8756 41.4718 175.0268 84 G 3.9951 9.1489 106.2268 46.1855 0.0000 175.2690 85 E 3.8531 8.1916 119.8338 59.2640 29.4328 178.8733 86 A 3.9963 7.9684 120.3036 55.3240 18.6067 179.9715 87 V 3.5129 7.7753 116.8685 64.6513 31.3680 178.3142 88 A 3.8359 7.6976 120.9135 54.9870 18.3052 179.3356 89 L 4.0359 7.8292 116.4030 57.4861 41.8011 179.2530 90 R 4.0306 8.1223 116.6480 55.9455 30.8010 175.6426 91 N 3.9781 7.5957 116.6533 54.7341 37.8482 173.2552 92 T 4.5432 7.2944 105.0132 58.7952 71.6494 172.4524 93 P 4.3941 0.0000 0.0000 62.1775 32.1957 176.3416 94 Y 4.2511 8.3732 119.8759 58.2005 38.0888 175.7246 95 P 4.7040 0.0000 0.0000 63.7859 32.2630 175.6466 96 V 4.6185 7.4544 110.7935 60.1859 36.1308 174.4991 97 S 4.6283 8.2706 117.8683 57.0713 65.4323 173.2875 98 A 4.8355 7.6732 122.6734 50.0770 22.0354 174.8940 99 E 4.9754 8.8908 121.4694 54.1182 33.9864 174.2694 100 A 4.2968 8.9965 128.9096 52.3976 18.8545 178.3026 101 V 4.0735 9.1080 123.6049 64.1326 32.7815 175.4492 102 T 4.8563 7.8055 108.1946 58.4393 72.2639 172.0364 103 P 4.6544 0.0000 0.0000 63.6107 32.3411 175.6018 104 C 5.4085 9.4064 120.4721 58.0667 32.6674 172.6832 105 E 5.1616 9.0146 120.6872 54.9386 32.2051 175.1358 106 V 4.8074 8.7528 124.9148 61.0361 35.6822 173.2359 *108 H 4.7608 8.6817 113.9884 55.8969 30.6111 172.3954 109 I 4.4702 8.1848 124.5518 58.7310 39.0114 173.8536 110 P 4.6043 0.0000 0.0000 62.5192 32.1535 177.4663 111 S 4.1608 9.0134 120.0830 61.5882 62.7484 175.6417 112 P 4.2918 0.0000 0.0000 65.1845 31.0296 178.8565 113 V 3.5731 7.6832 117.2285 65.7743 31.1906 177.8870 114 F 4.5715 8.0363 118.8901 61.3302 39.5368 176.9934 115 V 3.4692 7.9095 117.2561 65.9252 31.5834 177.8317 116 S 4.2519 8.3170 114.2737 61.0794 62.8671 175.9625 117 L 3.9000 7.2810 120.2924 56.3345 41.9788 178.4482 *119 R 4.2855 7.8704 116.5893 55.9331 31.9294 177.0382 120 R 4.0777 8.0501 116.3324 58.4104 30.4364 176.6923 121 D 4.5738 7.9937 117.1510 51.0011 42.4810 173.5198 122 P 4.3530 0.0000 0.0000 64.4287 31.6757 177.8680 123 E 3.9800 8.1351 119.2754 59.2747 29.2383 179.2764 124 I 3.7090 7.8097 120.3268 64.5623 37.1921 177.9552 125 C 4.1002 7.9581 119.0281 62.3411 31.3955 175.3581 126 I 3.7363 7.9650 121.6318 64.5332 36.6970 178.5812 127 S 4.1639 8.1489 115.8582 61.6278 62.6642 176.7705 128 I 3.9822 7.8516 123.8338 63.8880 36.7996 178.3235 129 L 3.9677 8.6835 122.6590 57.2620 41.8523 178.7108 130 A 4.1709 8.2669 120.9642 55.6496 18.3636 179.7517 131 T 3.8863 7.9591 114.3762 67.0674 68.2683 177.1129 132 T 3.9792 8.1483 111.7507 64.6764 68.7894 176.7314 133 F 4.4610 8.5439 121.1075 60.4501 38.9535 177.8712 134 G 3.7031 8.3718 105.4719 47.9776 0.0000 175.3282 135 H 4.3332 8.5169 120.6402 59.0120 29.8225 177.2823 136 L 3.9704 8.4422 121.2441 58.2850 41.4832 179.1959 137 H 4.1173 8.4677 116.0462 58.9834 28.5921 177.8312 138 S 4.1575 8.3202 114.8604 61.4146 62.1705 176.2592 139 L 4.0303 8.2253 121.8638 57.6481 41.1178 179.5972 140 V 3.5683 7.9460 117.4811 65.9638 31.7733 177.6614 141 A 4.1674 8.2349 120.5495 55.2534 18.2404 179.6157 142 Q 3.9900 8.3466 116.6895 59.1573 28.6119 179.0251 143 L 4.1167 8.0407 118.7354 57.1582 41.6677 178.5821 144 E 4.1105 7.7966 117.9901 57.0926 29.9990 176.2881 145 Q 4.3794 7.3495 118.0467 53.9899 29.9764 175.2542 146 L 3.8456 8.5436 123.8919 55.5771 42.3545 176.0247 147 K 4.3615 8.5942 126.9226 55.2456 33.1257 175.6509 148 A 4.6674 8.3481 126.8238 51.8229 20.9936 176.4203 149 Q 4.2374 8.0648 115.0329 56.3208 29.3244 177.3340 150 T 4.3431 9.1028 113.6302 60.7007 71.1929 175.9958 151 G 3.7772 8.6680 107.6100 48.2716 0.0000 175.4683 152 A 3.9739 8.0243 123.0439 54.9069 18.4049 179.5725 153 Q 4.1169 7.9959 116.0492 59.2579 28.7896 179.2569 154 R 3.9690 8.3071 119.5069 59.1356 30.0244 179.3357 155 V 3.6214 7.8307 117.9536 65.6658 31.4260 177.7359 156 A 3.9907 8.1656 120.7614 55.3338 18.1840 179.2052 157 E 3.8939 8.3946 117.6226 59.3168 29.7192 178.7121 158 F 4.1521 8.3946 120.6047 61.4201 39.4290 177.0075 159 L 3.9499 8.5629 118.9324 57.8549 41.2070 179.5470 160 L 3.9822 8.0414 118.1264 57.8241 41.6364 178.8956 161 E 4.0325 8.0785 118.2209 59.2399 29.6191 178.6341 162 L 3.9540 7.4741 118.1549 56.5518 42.0127 177.1199 163 C 4.5746 7.3180 115.9114 56.3727 41.0416 173.6051 164 D 4.3457 8.7694 124.1278 57.4041 40.6306 176.7869 165 C 4.5384 7.7408 114.5835 59.0047 29.5702 172.8643 166 D 4.8414 8.4210 118.6374 54.6989 41.5363 176.2693 167 T 4.5234 7.5383 107.7670 60.7773 71.9701 173.4402 168 G 3.7711 8.6930 108.1549 44.1991 0.0000 172.3873 169 A 5.2366 7.9633 119.4403 51.6144 19.5358 177.6345 170 C 4.9313 9.3227 118.3624 55.3466 47.8209 172.4803 171 E 5.2186 8.6869 124.1243 54.6260 32.3546 174.7034 172 V 4.6854 8.6295 120.2058 59.5773 34.8805 175.0865 173 T 4.7604 8.7458 115.7576 61.6254 69.6503 173.8206 174 L 4.8807 8.5580 124.1855 51.8731 45.4952 174.8263 175 P 4.2423 0.0000 0.0000 62.6039 31.9226 176.3248 176 Y 4.4208 8.5758 122.0971 60.0514 38.8186 175.8628 177 D 4.5545 7.9254 120.1136 53.0982 41.0096 176.9976 178 K 4.1745 8.0336 131.3086 56.0933 30.6013 178.1124 *180 L 4.1978 7.6263 121.2117 54.8661 44.3879 180.2110 181 I 3.4905 7.3295 118.5817 63.9127 36.7686 178.0833 182 A 3.8859 7.6820 120.9594 54.9980 18.5202 179.3574 183 G 3.7653 7.9788 103.7229 48.2096 0.0000 175.5814 184 R 3.8752 7.4582 119.8442 58.5480 30.1524 177.5963 185 L 4.4338 7.6792 115.9412 52.9740 42.8978 176.1677 186 G 3.6488 7.4003 110.5847 45.7179 0.0000 173.4651 *188 K 4.0268 7.6605 122.3647 55.4796 34.9894 173.9195 189 P 4.1784 0.0000 0.0000 66.0903 31.3315 178.8094 190 E 4.0214 8.0650 115.4432 59.2564 29.6642 179.1571 191 S 4.0332 7.8314 115.8154 61.3303 62.9475 176.0257 192 L 3.6126 7.8033 122.9764 58.1382 41.7178 179.3068 193 S 4.2211 7.8246 114.8787 61.6086 62.6990 176.7324 194 R 3.9024 8.0798 120.5477 59.1684 29.8030 178.8716 195 A 3.8998 7.9209 120.3601 55.3279 18.1572 179.6242 196 F 4.3900 7.6794 114.8471 60.7332 39.3477 177.6481 197 S 4.2450 8.2008 112.6362 61.6124 62.4237 176.1780 198 R 3.9763 8.2119 120.9911 59.5482 29.9209 178.6399 199 L 3.7691 7.8137 117.1074 55.8600 41.6189 179.0918 200 K 4.2452 8.0942 120.4461 58.9345 31.8881 178.7934 201 A 4.2417 7.8343 118.2297 54.2783 18.2696 178.4026 202 A 4.6342 7.5884 117.6407 51.7451 19.3748 177.6160 203 G 3.8629 8.3535 107.3221 45.7509 0.0000 172.9174 204 V 4.8075 7.5655 119.7028 61.2253 33.8166 174.4570 205 T 4.6486 8.8340 124.7609 61.7237 71.2830 173.0105 206 V 4.1215 8.1597 126.5539 61.3757 32.8235 175.0901 207 K 4.6349 8.5629 130.9862 55.1745 35.3492 176.3572 208 R 3.7674 8.5632 116.3785 59.6594 29.4524 173.3191 209 N 5.4557 7.8441 113.1975 52.5486 40.8024 173.4720 210 H 5.2434 7.7976 112.9544 54.8866 31.8183 172.2265 211 A 5.0354 9.1100 121.4460 50.1756 22.1762 175.2329 212 E 5.0062 9.2588 120.3213 54.6512 32.7004 175.1556 213 I 4.7247 8.7096 126.8573 59.5793 38.6865 176.5181 214 E 4.0604 9.1601 127.1389 58.7625 31.1276 176.4895 215 D 4.6974 7.9168 120.1629 51.3178 43.3227 175.0735 216 I 3.7134 8.7688 129.1786 64.5053 37.0384 178.3407 217 A 3.9921 8.3204 121.3283 55.1503 18.3099 179.2225 218 L 4.0690 8.3075 118.4324 58.4358 42.0022 178.9263 219 L 3.8312 8.0397 120.0813 58.1672 42.0341 178.7585 220 R 3.8817 8.3808 119.0900 59.4236 29.8102 177.9884 221 D 4.3617 8.4387 117.9893 57.4190 41.1022 177.2835 222 Y 2.8707 7.4688 118.3901 60.4547 38.6740 177.8250 223 A 4.1629 7.9346 119.9834 55.3071 18.6379 179.0779 224 E 4.1460 8.2597 115.4223 57.3157 30.0612 177.7618 225 S 4.2130 7.4008 113.5889 57.7883 63.7373 173.6305 226 D 4.3170 8.6508 121.3961 54.1123 41.1310 175.1111 227 P 4.2271 0.0000 0.0000 65.8316 31.3842 177.1831 228 A 4.2641 8.0914 117.3469 52.8250 18.5512 176.3939 229 D 5.0019 8.0837 116.6352 52.3840 43.0336 176.4202 230 S 4.4527 8.4287 118.6791 57.8812 63.7735 173.8469 231 W 4.5188 8.6602 134.3211 57.1120 31.9381 175.8830 232 S 3.2986 7.3631 116.7294 58.4399 62.4332 170.7350 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 2 A 8.26 4.20 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 3 H 8.50 3.68 0.00 3.05 2.60 0.00 5.63 0.00 0.00 0.00 0.00 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.64 3.90 0.00 2.00 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 2.37 2.38 0.00 5 A 7.86 4.02 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 6 Q 7.89 4.01 0.00 2.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 7 K 8.38 4.19 0.00 2.02 1.95 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.78 1.83 7.81 8 A 7.95 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.69 3.78 2.09 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 1.46 1.09 0.95 0.00 0.00 10 A 8.29 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.85 3.98 0.00 2.01 2.01 0.00 3.18 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 12 N 7.90 4.57 0.00 2.85 2.86 0.00 0.00 7.00 7.52 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 13 S 7.40 4.70 0.00 4.03 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 14 L 8.76 3.91 0.00 1.81 1.73 1.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.54 3.82 0.00 1.52 1.54 0.48 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.51 3.83 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.87 0.00 0.00 17 R 8.18 3.97 0.00 1.84 1.99 0.00 3.14 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 18 S 7.99 4.33 0.00 4.04 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 19 L 6.96 4.46 0.00 1.66 1.62 0.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.42 0.00 2.44 2.24 0.00 3.79 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 2.21 2.02 0.00 21 E 9.08 3.94 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 22 Q 8.03 4.10 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 1.92 2.22 0.00 23 H 8.32 4.78 0.00 3.32 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.47 3.61 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 1.10 0.00 0.00 0.98 0.00 0.00 25 D 8.09 4.33 0.00 2.74 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 26 A 7.93 4.03 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 27 L 7.72 4.05 0.00 1.70 1.77 0.76 0.42 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 28 L 8.19 3.99 0.00 1.90 1.80 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.13 4.47 0.00 4.07 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 30 Q 7.60 4.46 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 31 A 7.54 4.12 0.66 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 32 V 8.27 4.23 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 0.83 0.00 0.00 0.90 0.00 0.00 33 W 8.84 4.95 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110 P 0.00 4.60 0.00 2.14 1.94 0.00 3.53 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 2.07 2.06 0.00 111 S 9.01 4.16 0.00 3.78 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 0.00 112 P 0.00 4.29 0.00 2.14 2.07 0.00 3.53 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 113 V 7.68 3.57 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 114 F 8.04 4.57 0.00 2.84 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 0.00 115 V 7.91 3.47 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 0.81 0.00 0.00 0.83 0.00 0.00 116 S 8.32 4.25 0.00 4.06 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 0.00 117 L 7.28 3.90 0.00 2.00 1.88 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *119 R 7.87 4.29 0.00 1.93 1.98 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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 I 7.85 3.98 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.28 0.99 0.00 0.00 129 L 8.68 3.97 0.00 1.80 1.91 0.47 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.27 4.17 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.96 3.89 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 1.24 0.00 0.00 132 T 8.15 3.98 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 1.27 0.00 0.00 133 F 8.54 4.46 0.00 3.37 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 0.00 134 G 8.37 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 0.00 0.00 0.00 135 H 8.52 4.33 0.00 3.36 3.45 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 0.00 136 L 8.44 3.97 0.00 1.92 1.73 0.85 1.03 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 0.00 137 H 8.47 4.12 0.00 3.41 3.40 0.00 5.62 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 0.00 138 S 8.32 4.16 0.00 3.97 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 0.00 139 L 8.23 4.03 0.00 1.87 1.71 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.95 3.57 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 0.83 0.00 0.00 0.96 0.00 0.00 141 A 8.23 4.17 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 0.00 142 Q 8.35 3.99 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 143 L 8.04 4.12 0.00 1.78 1.75 0.94 1.18 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 0.00 144 E 7.80 4.11 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 2.33 2.40 0.00 145 Q 7.35 4.38 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 146 L 8.54 3.85 0.00 1.58 1.62 0.92 0.60 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 0.00 147 K 8.59 4.36 0.00 1.74 1.69 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.49 7.81 148 A 8.35 4.67 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 0.00 149 Q 8.06 4.24 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 150 T 9.10 4.34 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 1.20 0.00 0.00 151 G 8.67 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 0.00 0.00 0.00 152 A 8.02 3.97 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 0.00 153 Q 8.00 4.12 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 154 R 8.31 3.97 0.00 1.96 1.97 0.00 3.11 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 155 V 7.83 3.62 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 0.93 0.00 0.00 0.74 0.00 0.00 156 A 8.17 3.99 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 0.00 157 E 8.39 3.89 0.00 2.33 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 0.00 2.35 2.41 0.00 158 F 8.39 4.15 0.00 3.22 3.27 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 0.00 159 L 8.56 3.95 0.00 1.92 1.75 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.04 3.98 0.00 1.76 1.74 0.98 0.89 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 0.00 161 E 8.08 4.03 0.00 2.02 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 2.26 2.31 0.00 162 L 7.47 3.95 0.00 1.72 1.64 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 163 C 7.32 4.57 0.00 3.06 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 0.00 164 D 8.77 4.35 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 0.00 165 C 7.74 4.54 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.42 4.84 0.00 2.65 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 0.00 167 T 7.54 4.52 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 168 G 8.69 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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177 D 7.93 4.55 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.03 4.17 0.00 1.80 1.81 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.61 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.36 7.81 *180 L 7.63 4.20 0.00 1.52 1.61 0.83 0.73 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 0.00 181 I 7.33 3.49 1.84 0.00 0.00 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 1.28 0.76 0.48 0.00 0.00 182 A 7.68 3.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 G 7.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.46 3.88 0.00 1.77 1.94 0.00 3.46 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 185 L 7.68 4.43 0.00 1.44 1.51 0.44 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 186 G 7.40 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *188 K 7.66 4.03 0.00 1.75 2.02 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 189 P 0.00 4.18 0.00 2.11 2.09 0.00 3.54 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 2.08 2.13 0.00 190 E 8.07 4.02 0.00 2.13 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 2.32 2.31 0.00 191 S 7.83 4.03 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 L 7.80 3.61 0.00 1.54 1.67 0.24 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 193 S 7.82 4.22 0.00 4.09 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 0.00 194 R 8.08 3.90 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 195 A 7.92 3.90 1.16 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 0.00 196 F 7.68 4.39 0.00 3.17 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 0.00 197 S 8.20 4.25 0.00 4.00 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 0.00 198 R 8.21 3.98 0.00 2.02 2.01 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 199 L 7.81 3.77 0.00 1.79 1.53 0.90 0.14 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 0.00 200 K 8.09 4.25 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.63 7.81 201 A 7.83 4.24 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 A 7.59 4.63 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.35 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 0.00 0.00 0.00 204 V 7.57 4.81 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 1.02 0.00 0.00 0.87 0.00 0.00 205 T 8.83 4.65 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 1.13 0.00 0.00 206 V 8.16 4.12 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 0.09 0.00 0.00 -0.06 0.00 0.00 207 K 8.56 4.63 0.00 1.56 1.63 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.21 1.07 7.81 208 R 8.56 3.77 0.00 1.73 1.94 0.00 3.18 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 209 N 7.84 5.46 0.00 2.67 2.87 0.00 0.00 6.65 8.16 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 0.00 210 H 7.80 5.24 0.00 3.33 3.35 0.00 5.41 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 0.00 211 A 9.11 5.04 1.16 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 0.00 212 E 9.26 5.01 0.00 1.81 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 2.29 2.21 0.00 213 I 8.71 4.72 1.88 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 1.29 0.49 0.94 0.00 0.00 214 E 9.16 4.06 0.00 2.07 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 2.44 2.29 0.00 215 D 7.92 4.70 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 I 8.77 3.71 1.89 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 1.47 0.81 0.93 0.00 0.00 217 A 8.32 3.99 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 0.00 218 L 8.31 4.07 0.00 1.89 2.00 1.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 219 L 8.04 3.83 0.00 1.79 1.79 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 220 R 8.38 3.88 0.00 2.00 2.10 0.00 3.18 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 221 D 8.44 4.36 0.00 3.13 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 0.00 222 Y 7.47 2.87 0.00 2.01 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 0.00 223 A 7.93 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 E 8.26 4.15 0.00 2.08 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 2.35 2.32 0.00 225 S 7.40 4.21 0.00 4.09 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 0.00 226 D 8.65 4.32 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 P 0.00 4.23 0.00 2.06 2.24 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 228 A 8.09 4.26 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 0.00 229 D 8.08 5.00 0.00 2.81 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 0.00 230 S 8.43 4.45 0.00 3.89 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 0.00 231 W 8.66 4.52 0.00 3.04 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 0.00 232 S 7.36 3.30 0.00 2.72 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 * Residues marked with a * may have inaccurate shift predictions.