NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3303 8.2649 123.5836 51.5880 19.9440 176.7966 3 R 3.9308 8.4200 121.4607 55.4283 30.9756 174.8497 4 N 4.7137 8.8395 117.9161 54.0527 41.0827 173.3848 5 K 4.9632 9.3938 121.9074 54.8031 35.7408 174.7524 6 I 4.9320 8.9103 128.3039 59.5092 39.9031 174.2229 7 A 5.1013 9.1951 129.5177 50.1313 21.6382 175.3244 8 L 4.9099 9.1662 122.7766 53.1846 44.2613 176.2673 9 I 4.3979 8.7503 127.7034 63.0723 37.4808 175.0336 10 G 4.4256 9.0699 116.5033 45.8583 0.0000 173.0273 11 S 4.7565 9.0922 123.0701 57.9486 64.7220 176.2769 12 G 3.9756 7.7704 113.7896 45.0407 0.0000 175.1913 13 M 3.6667 8.3310 119.7040 58.3352 32.0911 178.5399 14 I 3.8717 7.5979 119.4867 64.2900 37.5015 178.1674 15 G 4.1246 7.6930 107.6794 47.3175 0.0000 175.6005 16 G 3.6563 8.1888 108.3444 47.7053 0.0000 175.9701 17 T 4.0426 7.6288 117.8134 66.2262 68.3846 176.8509 18 L 4.0040 8.5845 121.1398 57.7674 41.6524 179.3933 19 A 4.1265 8.1330 120.5379 55.4755 18.3090 179.0970 20 H 4.1810 8.4746 116.7145 59.6172 29.9683 177.4636 21 L 3.9054 8.2342 120.6147 57.7194 41.3862 179.4055 22 A 4.0836 8.4791 121.1732 54.8868 18.2916 179.8136 23 G 3.3631 8.3457 104.2814 48.0682 0.0000 175.9587 24 L 3.6281 7.4701 120.9748 56.4464 41.6866 178.8807 25 K 4.2467 7.8296 115.4788 54.9681 33.2205 176.2862 26 E 3.7769 7.6462 118.0534 57.5001 27.2184 175.2078 27 L 4.1811 8.6487 116.8643 55.4783 42.7351 177.8893 28 G 4.0455 7.7165 103.9058 43.3222 0.0000 172.3972 29 D 4.4815 8.1638 119.9450 54.2508 42.2607 176.1876 30 V 4.7384 8.4340 121.1007 61.0862 35.1175 174.1735 31 V 4.8216 8.9555 127.9148 61.1722 33.9190 174.0429 32 L 4.9029 9.1789 128.7654 53.5580 43.1632 175.3851 33 F 5.5967 8.9660 126.5714 55.9429 42.8088 173.3367 34 D 4.4467 6.6410 121.6195 53.5527 44.0325 175.7646 35 I 3.5198 8.1635 121.2137 62.6129 37.0484 175.7320 36 A 4.1875 8.7311 125.0826 51.0112 18.7867 176.6088 37 E 4.3113 7.8906 122.9448 57.2324 30.5222 175.7012 38 G 4.3062 9.2770 114.2944 46.6192 0.0000 175.7418 39 T 3.8010 7.2295 115.8814 65.9630 68.4073 174.9533 40 P 4.2744 0.0000 0.0000 65.8498 31.3746 178.3599 41 Q 4.0689 8.0519 117.5912 58.5951 28.5865 178.8710 42 G 3.5102 8.3741 107.0145 47.7869 0.0000 176.0036 43 K 4.0365 8.1624 121.7349 58.8025 32.0010 179.5781 44 G 3.7441 8.2410 106.0914 47.9637 0.0000 175.4867 45 L 3.9546 8.1640 123.6520 57.4339 41.8515 178.2829 46 D 4.2700 8.0073 117.3238 57.6359 41.5843 178.2104 47 I 3.6624 7.7408 119.8808 64.0899 37.0083 178.1859 48 A 3.8955 7.7641 121.6979 55.3583 18.0105 179.5987 49 E 3.9814 8.2620 116.1538 58.9843 29.7864 179.1760 50 S 4.2874 7.8142 114.0515 60.4642 63.2268 176.5212 51 S 2.7900 7.6574 118.5787 60.4471 62.3673 174.5255 52 P 4.2281 0.0000 0.0000 64.3787 31.0867 178.4946 53 V 3.6648 7.4408 117.1786 66.1482 31.6908 176.8078 54 D 4.4544 7.9380 116.0807 55.2036 41.2659 177.6999 55 G 3.9094 8.3902 107.4749 45.0765 0.0000 173.3289 56 F 4.4931 7.6485 114.1006 56.2263 38.7545 174.6280 57 D 4.8789 8.7665 123.4918 52.8769 41.6760 175.4809 58 A 4.8812 8.3732 124.8135 50.4701 22.5025 175.3934 59 K 4.4143 9.4198 121.6092 55.9279 33.7825 176.0456 60 F 5.2291 8.9820 122.4964 55.9985 41.8672 174.6287 61 T 4.7033 9.0222 120.0962 61.6410 71.9191 173.1273 62 G 4.4992 8.7519 112.1020 44.7195 0.0000 172.5632 63 A 4.8241 9.0045 124.4276 50.3729 22.8128 176.3426 64 N 4.6711 8.6733 114.3980 51.7529 40.0163 173.5931 65 D 5.2100 7.6659 118.7314 52.1671 43.5106 176.4142 66 Y 3.8215 8.7492 123.4493 60.8191 37.8313 178.5295 67 A 2.5800 7.8071 121.0755 54.1523 18.0625 179.3201 68 A 4.0096 7.6418 118.8593 54.5696 18.6574 178.7964 69 I 4.0559 7.6271 110.4855 60.1742 37.9592 175.3863 70 E 4.3319 7.3078 122.1959 58.2807 29.7160 176.7915 71 G 3.8843 9.0454 113.3392 45.8750 0.0000 173.3064 72 A 4.1525 7.9381 122.3235 52.7403 18.8476 178.5047 73 D 4.7083 9.2023 123.0750 56.7120 42.4094 176.8566 74 V 4.8603 7.6950 116.9646 61.0755 35.6422 174.2629 75 V 4.9136 8.7578 126.4726 61.1876 34.6888 173.9469 76 I 4.9232 8.7506 128.4977 59.4297 40.3845 174.5478 77 V 4.8699 8.9185 127.7703 61.5483 33.0476 175.5255 78 T 4.6724 9.0107 117.2756 60.9093 70.5865 173.8393 79 A 4.1525 8.3167 124.7086 51.7480 18.8248 177.8953 80 G 3.8960 7.6278 109.3779 45.8534 0.0000 171.4222 81 V 4.4809 8.3442 112.7261 58.5870 34.2782 174.2874 82 P 4.4256 0.0000 0.0000 62.7652 32.1512 177.5777 83 R 4.1684 8.3987 120.5442 56.4867 28.0603 177.8106 84 K 4.1892 8.4480 128.5535 56.0181 32.2245 176.4519 *90 D 4.6982 8.0422 117.1419 53.9830 42.2556 182.2867 91 D 4.3498 7.8608 118.2638 57.6338 40.0878 183.5680 92 L 4.1871 7.8197 119.2397 58.4823 42.1589 178.4369 93 L 4.0784 7.9844 120.0631 58.2391 41.9794 179.1381 94 G 3.6457 7.6758 105.3178 47.7388 0.0000 175.8854 95 I 3.7640 7.7109 121.7931 64.3997 37.1266 178.3405 96 N 4.4665 8.3351 117.2207 55.8016 38.3575 177.3315 97 L 4.1371 8.2854 124.6127 58.6957 42.2728 179.7417 98 K 3.9027 7.8867 123.5439 59.7200 31.5381 181.0592 99 V 3.7972 7.6902 119.1746 66.2650 31.4716 178.0433 100 M 4.0511 8.4009 118.7056 58.2014 31.7397 178.3065 101 E 2.6395 7.9057 119.4207 58.9702 29.6870 178.9398 102 Q 3.8116 7.6281 117.3350 58.8703 28.7306 179.0484 103 V 3.6069 7.3968 120.6760 65.4458 31.5553 178.0195 104 G 3.6882 8.5811 105.5598 48.0567 0.0000 175.3939 105 A 3.9661 7.8243 123.0866 54.6484 18.2424 180.0343 106 G 2.8134 7.4231 104.3574 47.4966 0.0000 176.2014 107 I 3.6543 7.7875 122.4812 63.9475 36.9301 178.0803 108 K 3.7181 7.8588 119.5486 59.5722 31.9722 178.3127 109 K 3.7983 7.4899 117.7144 59.3232 32.4536 177.6609 110 Y 4.6127 8.0818 115.8403 58.2016 40.0688 175.5572 111 A 5.1275 8.1546 122.3861 50.1371 19.0267 175.0865 112 P 4.2942 0.0000 0.0000 64.6545 32.2065 177.9708 113 E 4.4015 8.0543 116.2514 56.0546 29.6691 175.8784 114 A 4.4147 7.6136 121.1527 51.9253 19.5333 177.1817 115 F 4.6800 8.7587 122.7609 57.0331 40.9519 174.6666 116 V 4.5570 8.5052 126.4811 60.9977 34.0602 174.0793 117 I 4.6517 8.5617 128.8988 59.6538 39.6172 174.0554 118 C 4.7443 8.8838 128.6408 58.4719 32.5260 173.9586 119 I 4.4030 8.8953 124.9533 61.7848 39.6759 176.5942 120 T 3.8419 8.0754 118.2073 64.3226 68.7714 172.8669 121 N 4.7962 8.4814 122.8964 51.5833 40.1002 173.6025 122 P 4.4529 0.0000 0.0000 62.2738 32.5103 176.8290 123 L 4.1865 8.2647 126.0753 57.8013 41.8690 178.8743 124 D 4.3411 8.0290 116.6326 56.8969 40.9707 178.0334 125 A 4.2367 7.8527 120.8032 55.0740 19.0229 179.2929 126 M 4.0836 8.2889 117.6429 58.4531 31.9951 179.3663 127 V 3.5020 7.9872 119.5029 64.3696 31.5930 178.3072 128 W 3.5025 7.9227 128.2605 60.0425 30.6507 177.7136 129 A 3.2421 8.4683 120.9923 54.7475 17.7691 179.3978 130 L 3.9472 8.2535 119.3773 58.1469 42.0277 178.8896 131 Q 3.8570 8.1602 120.0429 59.0013 28.7174 178.5950 132 K 3.6814 7.0946 117.9186 59.2702 32.1075 179.0215 133 F 4.5238 7.4259 117.0328 60.7799 38.9747 177.7602 134 S 4.4367 8.0639 112.1773 59.1746 63.0027 175.5211 135 G 3.8673 7.7118 108.7552 45.4107 0.0000 173.8800 136 L 4.1465 7.3551 118.9927 53.5985 42.3610 175.3984 137 P 4.3231 0.0000 0.0000 62.6316 32.1501 177.6714 138 A 4.1154 8.7589 125.1711 55.5493 18.7030 179.0978 139 H 4.4927 8.3903 109.9405 57.4501 28.8750 176.1446 140 K 4.7709 8.2358 119.5816 56.2250 33.5511 175.6012 141 V 4.6937 8.0895 120.4475 61.2942 33.6656 174.9790 142 V 4.9499 8.8687 121.0553 59.6091 36.3933 174.7219 143 G 4.3505 8.9141 109.4775 44.6836 0.0000 172.4568 144 M 4.6147 8.7803 124.8066 55.3099 32.5526 174.3183 145 A 4.8347 8.8463 128.5206 52.5245 26.3000 177.9469 146 G 3.7722 8.3045 101.8884 48.1485 0.0000 175.6244 147 V 3.7298 7.7971 119.8520 65.4484 31.5515 177.8386 148 L 3.9405 7.8652 119.6871 58.3656 42.1091 178.4052 149 D 4.4547 8.0944 118.7293 57.5841 40.7455 178.9082 150 S 4.3470 8.8969 113.7107 61.1912 62.3882 176.0786 151 A 4.0048 8.4091 124.0393 55.1151 18.0642 179.7813 152 R 3.4967 8.0280 116.5250 59.1800 30.1710 178.7985 153 F 4.4252 8.3371 120.4489 61.8347 39.3086 177.4332 154 R 3.9451 8.2504 117.4619 59.2120 29.8485 178.4940 155 Y 4.0649 7.9821 119.2934 60.8671 38.8683 178.0889 156 F 4.3212 7.8863 118.8268 60.5922 38.9578 177.7590 157 L 4.0538 8.3670 118.8837 57.8248 41.5557 179.5161 158 S 4.2531 8.5170 114.6666 61.6179 62.4596 176.5932 159 E 3.8357 7.6888 121.0492 59.1259 29.3092 178.4542 160 E 3.8953 7.7373 117.9058 58.9606 29.7569 178.1244 161 F 4.6933 8.0579 114.6656 56.4313 40.5698 174.9018 162 N 4.1714 7.8971 116.2493 54.9821 37.4237 172.5414 163 V 4.5910 7.2412 109.1592 58.9275 36.4134 176.0280 164 S 4.2563 8.4240 115.2083 58.4778 62.9670 175.3680 165 V 3.7295 8.6487 119.8258 64.7814 31.4380 178.1575 166 E 4.1544 8.1552 117.6943 58.4325 29.4173 176.9941 167 D 4.8372 8.1861 117.9544 53.9718 42.3461 175.7460 168 V 4.7557 7.5809 119.2279 61.5060 33.2526 175.1116 169 T 4.7811 8.9175 123.9441 61.8977 71.9741 173.4201 170 V 4.6743 8.3304 116.9940 59.4652 36.2154 174.7659 171 F 4.6758 8.9852 124.3831 56.5868 41.8399 173.9674 172 V 4.8130 8.1663 125.8775 61.2299 33.9154 174.7265 173 L 4.6349 9.1086 127.7652 54.4914 44.5453 178.0006 174 G 3.4918 8.8691 108.7163 45.0471 0.0000 171.2684 175 G 4.5887 7.3776 108.5232 43.5911 0.0000 172.8678 176 H 4.8426 7.8878 115.4707 55.7319 30.8966 177.1308 177 G 4.2005 8.3134 109.6645 46.7340 0.0000 177.3165 178 D 4.4991 8.8107 124.0884 56.1922 40.8656 177.0490 179 S 4.3033 7.9463 113.0721 59.4758 63.6475 173.7057 180 M 4.5017 7.6459 121.8990 55.3235 32.8315 176.3755 181 V 4.5166 9.0518 126.2607 60.2284 32.4315 171.9309 182 P 5.0624 0.0000 0.0000 62.2889 32.9428 176.5823 183 L 4.6459 9.2714 123.0360 52.6112 42.4887 176.6983 184 A 4.1452 8.8258 128.2005 55.0720 18.5811 179.9356 185 R 4.0663 7.8943 110.5166 58.4716 29.8438 176.6213 186 Y 5.0899 7.7130 115.7261 57.8663 38.8185 175.5034 187 S 5.1443 8.2503 115.8876 57.0826 66.0657 173.4364 188 T 5.0536 9.0946 112.8423 60.1574 73.0168 172.7679 189 V 4.5056 8.2985 122.3038 61.2277 33.7421 175.3337 190 A 3.8213 9.9086 131.9379 53.1479 16.5001 178.1100 191 G 3.9288 8.5916 108.8721 46.6531 0.0000 174.3791 192 I 4.0977 7.4164 121.6594 59.3943 38.1698 173.8823 193 P 4.8595 0.0000 0.0000 61.8752 33.2638 177.1666 194 L 3.9520 8.5036 121.7526 57.9758 41.7976 178.5186 195 P 4.2575 0.0000 0.0000 65.6350 31.3506 178.4456 196 D 4.2986 7.9166 117.3919 57.2123 40.8410 178.5424 197 L 3.3812 7.7242 119.5641 57.3498 41.4679 179.6948 198 V 3.9169 7.8586 119.6907 65.5686 31.3104 178.3576 199 K 4.0779 7.7175 116.1084 59.0684 31.9244 178.3234 200 M 4.3893 7.5997 116.5436 55.2212 32.3061 177.1358 201 G 4.1151 7.9642 107.7002 45.2471 0.0000 174.6101 202 W 4.5516 8.2270 119.4366 58.9975 29.2233 175.4456 203 T 4.4945 7.7101 111.5789 60.4460 69.7586 171.2849 204 S 4.7849 8.1308 116.9848 56.1226 67.0970 174.5915 205 Q 4.0133 8.4543 122.2843 59.1691 28.7854 177.6548 206 D 4.3267 8.0962 119.5567 57.4611 40.8969 178.7177 207 K 3.9031 7.9012 118.4169 59.4110 32.0704 179.1373 208 L 4.0108 7.9544 120.4614 58.3940 42.0326 178.7621 209 D 4.4444 8.8189 121.6247 57.9738 40.6681 179.6505 210 K 4.0109 8.0391 124.2613 59.6707 31.6870 181.5507 211 I 3.8534 8.0209 120.7389 64.2717 36.9921 178.5819 212 I 3.2277 7.7777 120.7030 64.3234 36.9300 178.3176 213 Q 3.9030 8.1334 120.4165 59.1007 28.6425 178.1214 214 R 3.8233 8.0606 119.3382 59.6166 30.2771 178.3818 215 T 4.2644 7.9858 115.6762 66.7018 68.5661 176.8152 216 R 3.9957 8.1483 120.0307 58.9395 30.0334 177.8269 217 D 4.8815 7.8990 116.5583 54.2295 40.9401 178.5779 218 G 3.8745 8.0306 109.2951 47.8689 0.0000 176.5435 219 G 3.5914 8.0373 107.3806 47.5465 0.0000 175.6375 220 A 4.0847 7.9476 122.7280 54.5756 18.0927 179.1720 221 E 3.8843 8.5745 118.6209 59.5035 29.6271 179.1685 222 I 3.7517 7.6370 119.5515 64.3139 37.1251 178.4912 223 V 3.9624 7.2857 120.5509 65.5332 31.1622 178.2593 224 G 3.7523 8.2398 104.2628 47.3726 0.0000 175.1393 225 L 4.3148 7.2482 119.7696 57.4672 42.2250 178.8846 226 L 4.0878 8.0507 117.6921 55.5539 41.5981 178.3114 227 K 4.3921 8.3667 123.1859 57.2335 31.1610 177.0316 228 T 4.3709 7.6502 104.1618 61.1906 68.9308 173.5912 229 G 4.0051 7.4119 110.6662 45.6630 0.0000 171.9687 230 S 4.6344 8.2935 113.6838 55.4851 65.5139 173.4242 231 A 4.1535 8.4920 123.0990 52.8804 18.5884 177.3827 232 F 4.8221 8.1091 113.0206 57.3156 40.6307 176.7847 233 Y 3.9928 7.1200 118.3445 60.9690 37.7155 178.1959 234 A 3.9938 7.9342 121.0120 54.6764 18.5884 177.6253 235 P 4.2225 0.0000 0.0000 65.7398 31.4251 178.6890 236 A 4.0332 8.1598 119.3473 55.0937 18.2958 179.5483 237 A 3.9831 8.3294 119.5084 55.2770 18.2874 180.0976 238 S 4.0410 8.2490 113.4231 61.7561 62.9182 176.7392 239 A 4.0368 8.0522 123.3746 55.3736 18.0636 179.7487 240 I 3.6901 8.0350 118.3589 64.4817 37.1170 178.4428 241 Q 3.9894 8.2102 120.5880 59.3613 28.7252 178.2935 242 M 4.1434 7.9304 119.4400 58.3867 31.9783 178.5275 243 A 4.2565 8.3448 121.0964 55.2839 18.4815 179.3355 244 E 3.9268 8.5554 118.0344 59.4868 29.6501 178.9544 245 S 4.0690 8.1704 113.2461 61.3297 62.4455 175.6741 246 Y 3.8299 7.8097 122.4120 60.7249 38.3831 177.7966 247 L 4.0877 8.3354 118.7197 56.7614 41.7821 178.5675 248 K 4.2989 8.0552 115.9724 54.6974 33.1894 175.4683 249 D 4.2633 7.4978 117.6490 55.0548 40.0593 174.2773 250 K 4.0122 8.2919 120.2442 57.2210 32.7524 176.5488 251 K 3.9805 7.8005 115.9823 57.2003 29.9524 176.1361 252 R 4.0745 7.5803 117.1143 56.4534 31.3855 176.4413 253 V 4.5825 8.2914 123.0843 62.1510 32.3207 175.1209 254 L 4.9462 9.0351 128.4085 52.1214 45.9090 174.1256 255 P 4.8746 0.0000 0.0000 62.8689 31.9475 175.9193 256 V 4.6835 8.6152 116.9105 59.0499 36.8648 174.6165 257 A 4.6950 8.9098 124.7459 51.9625 19.1657 176.7007 258 A 4.8617 9.0003 123.7175 49.9875 23.4775 174.7705 259 Q 3.8773 7.6012 120.9227 55.7703 29.4587 175.7302 260 L 4.5747 8.8254 127.6914 53.5691 43.2650 177.1162 261 S 4.8056 9.1273 115.3333 56.3007 62.9498 173.1170 262 G 3.8369 8.6841 113.2634 46.7610 0.0000 173.5832 263 Q 4.2974 8.1042 119.3853 56.8257 29.0823 176.1221 264 Y 3.2979 9.3148 119.0176 58.8881 35.9324 170.6478 265 G 3.9544 8.4231 106.1849 45.6872 0.0000 173.8286 266 V 4.5060 7.8822 119.1395 60.5824 33.7071 174.8354 267 K 5.0243 8.1870 124.8864 55.5106 35.7630 175.0513 268 D 4.5325 8.1101 116.8818 54.9570 39.0442 173.5161 269 M 5.0039 7.5535 115.1227 54.8401 36.1797 172.7796 270 Y 4.7682 8.8403 122.3903 57.0949 39.3426 175.1532 271 V 4.4547 8.8764 123.7891 60.5821 35.9291 174.6296 272 G 4.1591 8.5701 113.4785 46.2741 0.0000 172.6968 273 V 5.0707 8.8574 119.1138 58.6007 36.7861 173.1461 274 P 4.8958 0.0000 0.0000 63.2042 32.5563 175.2336 275 T 5.1081 8.7719 112.2135 60.0311 73.0095 172.7725 276 V 4.4351 8.9565 124.1013 62.4913 33.0619 174.6009 277 I 4.8726 8.6431 129.2864 59.8982 39.3993 175.2101 278 G 4.0867 8.5053 116.2087 44.5806 0.0000 172.4115 279 A 3.1200 8.9409 124.6580 54.8353 18.3691 179.1470 280 N 4.9887 8.6498 112.4769 51.8630 39.1533 181.7814 281 G 3.7986 8.0739 109.1220 46.7127 0.0000 176.4729 282 V 3.8625 9.2800 128.8431 63.4825 30.6586 175.0041 283 E 4.4825 9.2173 128.8267 57.5187 31.0626 177.0459 284 R 4.5431 7.7225 118.7288 55.2904 33.7270 173.4347 285 I 4.7073 8.3726 127.3139 59.9325 38.7568 175.1671 286 I 4.1495 8.7039 129.2362 60.5892 37.7264 175.0576 287 E 4.2516 8.8584 128.1402 54.0524 31.1466 174.7403 288 I 4.4734 8.1291 119.3574 58.7132 40.3039 174.9748 289 D 4.5844 8.4081 120.8082 54.0615 41.3886 176.0936 290 L 4.8476 8.1094 122.1356 52.4379 44.8084 176.9286 291 D 4.7164 8.7851 125.6386 53.2037 41.6829 178.3786 292 K 3.9942 8.4842 123.8995 60.0738 31.5689 177.7826 293 D 4.5484 8.0672 119.4820 57.3432 40.8058 178.5302 294 E 4.0093 9.0325 119.4736 59.3754 29.3797 179.4299 295 K 4.0304 8.6143 119.8977 59.2496 32.2499 178.7921 296 A 4.0300 8.2628 121.3020 55.1944 18.3201 179.5822 297 Q 3.9549 8.2227 116.5439 59.0549 28.7393 178.7894 298 F 3.9860 8.5847 121.9185 61.5586 39.3767 176.9248 299 D 4.3511 8.6527 118.8232 57.1555 40.5816 178.7125 300 K 3.8772 8.1709 120.2369 59.3834 32.2185 178.8658 301 S 3.9392 7.8788 113.3993 61.3831 62.3661 176.2477 302 V 3.3483 7.6454 121.0101 65.8884 31.1914 177.8259 303 A 4.0256 8.1373 120.9133 55.0779 18.0619 179.7628 304 S 4.0696 8.0607 112.8735 61.2310 63.1706 176.9924 305 V 3.4230 7.7868 121.7541 65.7251 31.2076 177.6870 306 A 3.8368 8.4109 121.0277 55.2388 18.1303 179.9000 307 G 3.4301 8.0963 104.0622 47.5362 0.0000 175.8325 308 L 3.8642 7.5459 122.7037 58.2968 42.1722 178.8293 309 C 3.6560 7.5712 116.5889 62.5577 27.8204 175.9718 310 E 3.8955 8.1844 120.0990 59.4720 28.8688 179.3765 311 A 4.0793 8.0026 120.5617 55.1535 18.3485 179.4967 312 C 4.2242 8.1732 115.6382 63.0337 27.6448 176.2717 313 I 4.2158 7.9977 121.7871 64.3138 36.4269 178.7177 314 G 3.6903 7.8747 105.4910 47.6110 0.0000 175.5743 315 I 4.2717 7.4844 121.0186 62.4065 38.1167 175.9096 316 A 4.6384 8.5002 124.0209 49.1799 19.5796 174.3538 317 P 4.5622 0.0000 0.0000 65.1584 31.7644 179.2894 318 S 4.2315 8.1522 111.7948 60.8964 62.7790 175.2269 319 L 3.8309 7.8643 122.0181 56.4158 41.7156 177.6803 320 K 4.2693 7.8887 125.4150 54.6736 31.6685 182.0923 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 4.33 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.42 3.93 0.00 2.03 1.88 0.00 3.54 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 4 N 8.84 4.71 0.00 2.85 2.80 0.00 0.00 6.33 7.09 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 5 K 9.39 4.96 0.00 1.77 1.62 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 6 I 8.91 4.93 1.94 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 1.19 0.50 0.93 0.00 0.00 7 A 9.20 5.10 1.21 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 0.00 0.00 8 L 9.17 4.91 0.00 1.58 1.64 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.75 4.40 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.99 1.02 0.00 0.00 10 G 9.07 4.43 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 0.00 11 S 9.09 4.76 0.00 3.75 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 12 G 7.77 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 13 M 8.33 3.67 0.00 0.59 1.66 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 14 I 7.60 3.87 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.59 0.94 0.00 0.00 15 G 7.69 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.19 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 17 T 7.63 4.04 4.43 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 1.35 0.00 0.00 18 L 8.58 4.00 0.00 1.86 1.77 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.13 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.47 4.18 0.00 3.35 3.50 0.00 5.61 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 21 L 8.23 3.91 0.00 1.91 1.71 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.48 4.08 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.35 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.47 3.63 0.00 1.48 1.65 0.66 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.83 4.25 0.00 1.82 1.81 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.42 7.81 26 E 7.65 3.78 0.00 2.12 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 2.36 2.29 0.00 27 L 8.65 4.18 0.00 1.63 1.73 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.72 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 29 D 8.16 4.48 0.00 2.57 2.49 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 30 V 8.43 4.74 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 1.01 0.00 0.00 0.76 0.00 0.00 31 V 8.96 4.82 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 0.82 0.00 0.00 0.92 0.00 0.00 32 L 9.18 4.90 0.00 1.75 1.60 1.10 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 33 F 8.97 5.60 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 6.64 4.45 0.00 2.62 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 0.00 0.00 0.00 35 I 8.16 3.52 1.82 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 1.29 0.90 0.85 0.00 0.00 36 A 8.73 4.19 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 37 E 7.89 4.31 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 38 G 9.28 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 39 T 7.23 3.80 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 1.15 0.00 0.00 40 P 0.00 4.27 0.00 2.32 2.22 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 41 Q 8.05 4.07 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 42 G 8.37 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.16 4.04 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.59 7.81 44 G 8.24 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 0.00 0.00 0.00 45 L 8.16 3.95 0.00 1.86 1.66 0.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.01 4.27 0.00 2.80 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 47 I 7.74 3.66 1.27 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.43 0.00 0.00 48 A 7.76 3.90 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 49 E 8.26 3.98 0.00 2.10 1.98 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 2.31 2.45 0.00 50 S 7.81 4.29 0.00 4.10 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 51 S 7.66 2.79 0.00 3.17 3.69 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 52 P 0.00 4.23 0.00 1.97 2.08 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 53 V 7.44 3.66 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 0.84 0.00 0.00 0.90 0.00 0.00 54 D 7.94 4.45 0.00 2.97 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 55 G 8.39 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 56 F 7.65 4.49 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.77 4.88 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.37 4.88 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 59 K 9.42 4.41 0.00 1.65 1.74 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.42 7.81 60 F 8.98 5.23 0.00 2.98 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 61 T 9.02 4.70 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 1.22 0.00 0.00 62 G 8.75 4.50 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 0.00 0.00 0.00 63 A 9.00 4.82 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.67 4.67 0.00 2.66 2.57 0.00 0.00 7.04 8.08 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 65 D 7.67 5.21 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.75 3.82 0.00 3.13 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 67 A 7.81 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.64 4.01 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 69 I 7.63 4.06 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.77 0.84 0.00 0.00 70 E 7.31 4.33 0.00 2.13 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 2.41 2.59 0.00 71 G 9.05 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 72 A 7.94 4.15 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 73 D 9.20 4.71 0.00 2.81 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 74 V 7.70 4.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.05 0.00 0.00 75 V 8.76 4.91 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 0.85 0.00 0.00 0.91 0.00 0.00 76 I 8.75 4.92 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 1.08 0.68 0.90 0.00 0.00 77 V 8.92 4.87 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 0.82 0.00 0.00 0.91 0.00 0.00 78 T 9.01 4.67 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 1.22 0.00 0.00 79 A 8.32 4.15 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.63 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 81 V 8.34 4.48 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 0.77 0.00 0.00 0.99 0.00 0.00 82 P 0.00 4.43 0.00 2.17 2.04 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 83 R 8.40 4.17 0.00 1.86 1.82 0.00 3.25 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 84 K 8.45 4.19 0.00 1.76 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 0.99 7.81 *90 D 8.04 4.70 0.00 2.62 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 91 D 7.86 4.35 0.00 2.67 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 92 L 7.82 4.19 0.00 1.76 1.70 0.93 0.56 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 93 L 7.98 4.08 0.00 1.81 1.82 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.68 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 95 I 7.71 3.76 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 1.53 1.21 0.92 0.00 0.00 96 N 8.34 4.47 0.00 2.92 2.89 0.00 0.00 6.70 6.03 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 97 L 8.29 4.14 0.00 2.11 1.89 1.16 0.63 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 98 K 7.89 3.90 0.00 1.76 1.81 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.32 7.81 99 V 7.69 3.80 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 1.10 0.00 0.00 1.01 0.00 0.00 100 M 8.40 4.05 0.00 2.24 2.42 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 2.70 2.93 0.00 101 E 7.91 2.64 0.00 1.78 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 0.00 1.47 1.47 0.00 102 Q 7.63 3.81 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 103 V 7.40 3.61 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 1.36 0.00 0.00 1.11 0.00 0.00 104 G 8.58 3.69 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 0.00 0.00 0.00 105 A 7.82 3.97 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 0.00 106 G 7.42 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.79 3.65 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.92 0.00 0.00 108 K 7.86 3.72 0.00 1.85 1.91 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.40 7.81 109 K 7.49 3.80 0.00 1.49 1.22 0.00 1.55 0.00 0.00 1.22 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 1.00 7.81 110 Y 8.08 4.61 0.00 3.18 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 0.00 111 A 8.15 5.13 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 0.00 112 P 0.00 4.29 0.00 2.17 2.32 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 113 E 8.05 4.40 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 114 A 7.61 4.41 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 0.00 115 F 8.76 4.68 0.00 1.71 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 0.00 0.00 0.00 0.00 116 V 8.51 4.56 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 0.87 0.00 0.00 0.83 0.00 0.00 117 I 8.56 4.65 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.06 0.86 0.00 0.00 118 C 8.88 4.74 0.00 2.90 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 0.00 119 I 8.90 4.40 1.97 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 1.24 0.79 0.94 0.00 0.00 120 T 8.08 3.84 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 1.31 0.00 0.00 121 N 8.48 4.80 0.00 2.73 2.76 0.00 0.00 7.08 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 0.00 122 P 0.00 4.45 0.00 2.26 2.20 0.00 3.74 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 2.08 2.02 0.00 123 L 8.26 4.19 0.00 1.89 1.71 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.03 4.34 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.85 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 0.00 126 M 8.29 4.08 0.00 2.06 2.29 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 2.72 2.91 0.00 127 V 7.99 3.50 1.98 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 0.82 0.00 0.00 0.59 0.00 0.00 128 W 7.92 3.50 0.00 3.31 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.47 3.24 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 0.00 130 L 8.25 3.95 0.00 1.80 1.74 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.16 3.86 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.74 0.00 132 K 7.09 3.68 0.00 1.07 1.29 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.65 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.06 0.81 7.81 133 F 7.43 4.52 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.06 4.44 0.00 3.98 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 0.00 135 G 7.71 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 0.00 0.00 0.00 136 L 7.36 4.15 0.00 1.59 1.59 0.92 1.31 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 0.00 137 P 0.00 4.32 0.00 2.09 2.02 0.00 3.59 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 2.10 2.11 0.00 138 A 8.76 4.12 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 0.00 139 H 8.39 4.49 0.00 3.64 3.62 0.00 5.62 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 0.00 140 K 8.24 4.77 0.00 1.82 2.06 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.05 1.45 7.81 141 V 8.09 4.69 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 0.65 0.00 0.00 0.93 0.00 0.00 142 V 8.87 4.95 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 0.88 0.00 0.00 0.88 0.00 0.00 143 G 8.91 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 8.78 4.61 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 145 A 8.85 4.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.30 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 0.00 147 V 7.80 3.73 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 1.11 0.00 0.00 1.05 0.00 0.00 148 L 7.87 3.94 0.00 1.85 1.96 0.96 1.28 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 0.00 149 D 8.09 4.45 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.90 4.35 0.00 3.90 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.41 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 0.00 152 R 8.03 3.50 0.00 2.00 1.72 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 153 F 8.34 4.43 0.00 3.25 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.25 3.95 0.00 2.07 1.99 0.00 3.18 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 155 Y 7.98 4.06 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 7.89 4.32 0.00 3.32 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 0.00 157 L 8.37 4.05 0.00 1.99 2.02 0.68 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.52 4.25 0.00 4.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.69 3.84 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.76 0.00 160 E 7.74 3.90 0.00 1.74 1.71 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 1.79 1.47 0.00 161 F 8.06 4.69 0.00 3.20 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 N 7.90 4.17 0.00 2.80 2.81 0.00 0.00 6.92 7.88 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 0.00 163 V 7.24 4.59 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.05 0.00 0.00 164 S 8.42 4.26 0.00 3.88 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 0.00 165 V 8.65 3.73 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 0.94 0.00 0.00 0.98 0.00 0.00 166 E 8.16 4.15 0.00 2.00 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 2.36 2.30 0.00 167 D 8.19 4.84 0.00 2.78 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 0.00 168 V 7.58 4.76 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 0.75 0.00 0.00 1.05 0.00 0.00 169 T 8.92 4.78 4.23 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 1.24 0.00 0.00 170 V 8.33 4.67 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 nan 0.00 0.00 171 F 8.99 4.68 0.00 3.51 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 0.00 172 V 8.17 4.81 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 0.95 0.00 0.00 1.17 0.00 0.00 173 L 9.11 4.63 0.00 1.90 1.71 1.03 0.66 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 0.00 174 G 8.87 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 7.38 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 H 7.89 4.84 0.00 3.22 3.20 0.00 6.02 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.31 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 0.00 0.00 0.00 0.00 178 D 8.81 4.50 0.00 2.67 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 0.00 179 S 7.95 4.30 0.00 3.98 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 M 7.65 4.50 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 181 V 9.05 4.52 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 1.06 0.00 0.00 1.00 0.00 0.00 182 P 0.00 5.06 0.00 2.39 2.20 0.00 3.82 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 2.06 2.00 0.00 183 L 9.27 4.65 0.00 1.80 1.54 1.10 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.83 4.15 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 0.00 185 R 7.89 4.07 0.00 1.79 1.96 0.00 2.69 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.00 186 Y 7.71 5.09 0.00 2.55 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.25 5.14 0.00 3.89 3.64 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 0.00 188 T 9.09 5.05 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 1.20 0.00 0.00 189 V 8.30 4.51 1.75 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 0.95 0.00 0.00 0.52 0.00 0.00 190 A 9.91 3.82 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 0.00 191 G 8.59 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 I 7.42 4.10 1.63 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.62 0.00 0.00 193 P 0.00 4.86 0.00 2.11 2.15 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 194 L 8.50 3.95 0.00 1.83 1.83 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.26 0.00 2.12 2.08 0.00 3.51 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 196 D 7.92 4.30 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.72 3.38 0.00 1.72 1.46 0.31 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 198 V 7.86 3.92 2.26 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 1.30 0.00 0.00 1.05 0.00 0.00 199 K 7.72 4.08 0.00 1.91 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 200 M 7.60 4.39 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 201 G 7.96 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 W 8.23 4.55 0.00 3.48 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 T 7.71 4.49 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 1.42 0.00 0.00 204 S 8.13 4.78 0.00 4.07 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 Q 8.45 4.01 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 206 D 8.10 4.33 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.90 3.90 0.00 1.82 1.82 0.00 1.92 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 208 L 7.95 4.01 0.00 1.96 1.95 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 209 D 8.82 4.44 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 K 8.04 4.01 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 211 I 8.02 3.85 2.11 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 1.52 0.70 1.24 0.00 0.00 212 I 7.78 3.23 1.96 0.00 0.00 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 1.09 0.76 0.82 0.00 0.00 213 Q 8.13 3.90 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 214 R 8.06 3.82 0.00 1.70 1.72 0.00 2.75 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.40 0.00 215 T 7.99 4.26 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 1.27 0.00 0.00 216 R 8.15 4.00 0.00 2.02 1.98 0.00 3.09 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 1.74 1.85 0.00 217 D 7.90 4.88 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 G 8.03 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 0.00 0.00 0.00 219 G 8.04 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 A 7.95 4.08 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 0.00 221 E 8.57 3.88 0.00 2.03 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 2.34 2.36 0.00 222 I 7.64 3.75 1.90 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 1.67 0.82 0.94 0.00 0.00 223 V 7.29 3.96 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 1.29 0.00 0.00 0.95 0.00 0.00 224 G 8.24 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 L 7.25 4.31 0.00 1.82 1.75 0.95 0.90 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 0.00 226 L 8.05 4.09 0.00 1.79 1.79 1.10 1.30 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 0.00 227 K 8.37 4.39 0.00 1.91 2.00 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.49 7.81 228 T 7.65 4.37 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 1.22 0.00 0.00 229 G 7.41 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 0.00 230 S 8.29 4.63 0.00 4.00 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 0.00 231 A 8.49 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 F 8.11 4.82 0.00 3.03 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 Y 7.12 3.99 0.00 2.83 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 0.00 234 A 7.93 3.99 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 0.00 235 P 0.00 4.22 0.00 2.21 2.15 0.00 3.64 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 2.25 2.18 0.00 236 A 8.16 4.03 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 0.00 237 A 8.33 3.98 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 238 S 8.25 4.04 0.00 4.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 A 8.05 4.04 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 240 I 8.03 3.69 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 0.94 0.00 0.00 241 Q 8.21 3.99 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 242 M 7.93 4.14 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.65 0.00 243 A 8.34 4.26 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 0.00 244 E 8.56 3.93 0.00 2.24 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 0.00 2.33 2.34 0.00 245 S 8.17 4.07 0.00 4.10 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 0.00 246 Y 7.81 3.83 0.00 2.47 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 0.00 247 L 8.34 4.09 0.00 1.70 1.76 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 248 K 8.06 4.30 0.00 1.82 1.80 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.42 7.81 249 D 7.50 4.26 0.00 2.60 2.57 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 0.00 250 K 8.29 4.01 0.00 1.73 1.80 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.40 7.81 251 K 7.80 3.98 0.00 1.94 1.90 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.51 7.81 252 R 7.58 4.07 0.00 1.73 1.86 0.00 3.28 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 253 V 8.29 4.58 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 0.77 0.00 0.00 0.93 0.00 0.00 254 L 9.04 4.95 0.00 1.60 1.52 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 255 P 0.00 4.87 0.00 2.04 1.95 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 256 V 8.62 4.68 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 0.81 0.00 0.00 1.03 0.00 0.00 257 A 8.91 4.69 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 0.00 258 A 9.00 4.86 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 0.00 259 Q 7.60 3.88 0.00 1.32 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 260 L 8.83 4.57 0.00 1.77 1.72 1.29 0.98 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 0.00 261 S 9.13 4.81 0.00 3.91 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 0.00 262 G 8.68 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 263 Q 8.10 4.30 0.00 2.27 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.18 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 264 Y 9.31 3.30 0.00 3.12 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 G 8.42 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 0.00 266 V 7.88 4.51 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 1.16 0.00 0.00 1.25 0.00 0.00 267 K 8.19 5.02 0.00 1.77 1.69 0.00 1.98 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.45 7.81 268 D 8.11 4.53 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 M 7.55 5.00 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 270 Y 8.84 4.77 0.00 3.01 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 0.00 271 V 8.88 4.45 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 0.86 0.00 0.00 0.89 0.00 0.00 272 G 8.57 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 0.00 273 V 8.86 5.07 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 1.05 0.00 0.00 274 P 0.00 4.90 0.00 2.10 1.88 0.00 3.46 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 1.84 1.12 0.00 275 T 8.77 5.11 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 276 V 8.96 4.44 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 1.01 0.00 0.00 0.94 0.00 0.00 277 I 8.64 4.87 1.91 0.00 0.00 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 1.23 1.37 0.90 0.00 0.00 278 G 8.51 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 0.00 279 A 8.94 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 280 N 8.65 4.99 0.00 2.71 2.67 0.00 0.00 7.06 7.15 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 0.00 281 G 8.07 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 V 9.28 3.86 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 0.83 0.00 0.00 1.13 0.00 0.00 283 E 9.22 4.48 0.00 1.94 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 2.27 2.48 0.00 284 R 7.72 4.54 0.00 1.85 1.73 0.00 3.17 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 285 I 8.37 4.71 1.91 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 1.40 0.76 1.04 0.00 0.00 286 I 8.70 4.15 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 1.05 0.00 0.00 287 E 8.86 4.25 0.00 1.64 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 1.68 1.47 0.00 288 I 8.13 4.47 2.03 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 1.68 1.09 1.06 0.00 0.00 289 D 8.41 4.58 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 290 L 8.11 4.85 0.00 1.58 1.52 0.66 1.07 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 0.00 291 D 8.79 4.72 0.00 2.94 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 0.00 292 K 8.48 3.99 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.11 7.81 293 D 8.07 4.55 0.00 2.80 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 0.00 294 E 9.03 4.01 0.00 2.16 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 2.33 2.36 0.00 295 K 8.61 4.03 0.00 1.89 2.04 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.47 1.56 7.81 296 A 8.26 4.03 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 0.00 297 Q 8.22 3.95 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 298 F 8.58 3.99 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 299 D 8.65 4.35 0.00 2.90 2.74 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 0.00 300 K 8.17 3.88 0.00 1.82 2.01 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 301 S 7.88 3.94 0.00 3.84 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 0.00 302 V 7.65 3.35 1.82 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 0.71 0.00 0.00 0.26 0.00 0.00 303 A 8.14 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 304 S 8.06 4.07 0.00 4.03 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 0.00 305 V 7.79 3.42 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 0.91 0.00 0.00 0.85 0.00 0.00 306 A 8.41 3.84 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 0.00 307 G 8.10 3.43 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 0.00 308 L 7.55 3.86 0.00 1.78 1.61 0.89 0.91 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 0.00 309 C 7.57 3.66 0.00 2.32 1.18 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 0.00 310 E 8.18 3.90 0.00 2.04 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 2.35 2.42 0.00 311 A 8.00 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 312 C 8.17 4.22 0.00 3.43 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 0.00 313 I 8.00 4.22 2.12 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.98 0.00 0.00 314 G 7.87 3.69 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 0.00 0.00 0.00 315 I 7.48 4.27 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.96 0.00 0.00 316 A 8.50 4.64 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 0.00 317 P 0.00 4.56 0.00 2.22 2.15 0.00 3.93 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 2.14 2.07 0.00 318 S 8.15 4.23 0.00 4.04 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 0.00 319 L 7.86 3.83 0.00 1.77 1.46 0.88 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 320 K 7.89 4.27 0.00 1.79 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.