NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5808 8.3033 117.3691 54.1364 29.7375 172.0165 *2 K 4.8068 8.2134 123.6611 55.4956 33.8947 174.3230 3 Y 6.1048 8.4609 119.8336 54.6782 41.4637 174.3651 4 I 4.7936 8.4487 120.1103 59.6222 40.5017 175.0708 5 I 4.3340 8.4580 127.0620 59.6151 38.2177 174.8118 6 N 4.8832 8.6590 123.5592 52.5448 40.6760 173.1914 7 H 4.9687 8.7817 121.7761 55.4672 29.5758 175.4085 8 S 4.3031 8.2050 114.8333 58.8011 62.8043 173.4890 9 N 5.6803 8.5321 120.4386 52.4122 39.1170 174.0696 10 D 4.7893 8.3558 119.4926 54.0506 41.3603 176.5756 11 T 4.2747 8.8674 125.6940 66.2078 68.6682 176.2074 12 A 4.1045 8.0849 121.8941 55.0297 18.3848 179.2496 13 F 3.9758 8.2664 119.2660 61.5380 39.5133 177.1245 14 N 3.7826 8.5260 116.4609 56.2291 38.2238 177.5620 15 I 3.2504 7.5236 120.8930 63.8633 37.0095 178.2195 16 A 3.8047 7.3836 121.6327 55.0265 18.1717 179.4798 17 L 3.4168 7.2933 118.8856 57.8962 41.9682 178.8356 18 E 3.7132 7.5212 119.2958 59.1712 29.5768 178.3885 19 E 4.0324 8.1471 119.5393 59.3557 29.5858 178.0973 20 Y 3.9143 8.2930 119.6684 60.5347 38.9906 177.9589 21 A 3.9775 8.1729 121.6296 55.1135 18.3148 179.2967 22 F 4.4713 8.2360 117.8327 61.3880 39.6291 176.7743 23 K 3.9673 8.4302 115.4043 57.0804 32.6945 177.4929 24 H 4.4384 7.9744 114.4897 55.1481 31.9875 174.7591 25 L 4.2865 6.9440 122.2131 53.6504 40.2571 177.7547 26 L 4.1065 7.3226 117.3385 56.7826 42.3529 178.3502 27 D 4.5361 7.9103 116.8614 54.5598 41.2408 175.6373 28 E 4.5705 7.6545 119.7576 54.4927 30.8777 175.8060 29 D 4.6009 8.5344 124.5513 56.7165 42.1623 176.6834 30 Q 5.1051 7.7847 116.0328 54.2576 32.7312 174.7385 31 I 4.9905 9.3637 124.0819 59.5909 41.8170 174.0015 32 F 5.7928 9.4304 128.5546 56.4700 42.5580 173.5493 33 L 4.7051 8.2782 124.4140 54.2908 44.1248 174.3385 34 L 5.3550 8.0752 120.1327 53.0133 44.5649 175.5526 35 W 5.0873 8.4353 118.5118 56.0060 32.3359 173.2083 36 I 4.8621 8.4515 120.0565 59.8648 40.6303 174.1263 37 N 5.5174 8.7358 124.1722 51.2227 40.8431 174.8812 38 K 4.0975 8.6907 122.2449 56.1289 33.9468 174.6635 39 P 4.3857 0.0000 0.0000 63.7679 32.2581 175.5955 40 S 5.1555 8.9241 119.4996 57.4026 68.2462 173.3152 41 I 4.8411 9.1029 125.3374 60.1525 38.8477 174.6208 42 I 4.7910 8.8374 129.1890 59.8528 38.9407 175.3644 43 V 4.6468 8.3952 120.7476 59.2320 34.3773 176.0883 44 G 4.1058 9.0556 111.0128 45.5380 0.0000 174.5135 45 R 3.9098 8.3859 122.2539 58.9394 30.1901 177.1047 46 H 4.7572 7.6103 111.6287 55.1617 29.6795 173.7128 47 Q 4.5321 7.6027 118.6408 55.4909 29.2141 176.5426 48 N 4.7366 8.4903 120.6479 52.2026 37.8848 175.1755 49 T 3.7190 8.1947 120.3487 66.3856 68.5259 175.2987 50 I 3.9704 7.8061 118.2855 63.6435 38.1574 176.5821 51 E 4.4576 8.0366 116.8015 56.6211 29.9363 176.3051 52 E 4.5062 8.3513 118.7854 56.4422 31.6951 175.8174 53 I 4.5807 7.5435 119.0573 59.8737 38.6087 176.2228 54 N 4.6180 8.9543 124.2254 52.4721 37.7318 175.3295 55 R 3.9716 8.5531 126.6972 59.7832 30.2616 177.3600 56 D 4.4403 8.2316 117.7341 57.2360 40.8871 178.0590 57 Y 3.9959 8.6027 120.2554 60.9384 38.8828 178.5796 58 V 3.7635 8.0984 113.3032 64.1595 31.5142 179.0008 59 R 3.9304 8.0840 118.0757 59.3936 29.7948 178.7094 60 E 3.9647 8.0625 116.9688 59.0431 29.5523 178.3329 61 N 4.6836 7.7459 113.1869 52.0973 38.9748 175.4013 62 G 3.8826 7.6049 108.0219 46.4309 0.0000 173.5076 63 I 4.4680 7.7680 120.6599 59.9405 38.1024 176.1723 64 E 4.2643 9.1577 127.0063 56.4534 30.8520 176.1629 65 V 4.9168 8.4693 122.4496 61.2681 33.9173 174.8193 66 V 4.7897 8.5245 127.6328 61.1138 35.0655 174.0719 67 R 4.7917 9.1158 128.8528 55.8272 30.6189 176.3509 68 R 4.8146 8.8772 124.2387 55.4600 31.4627 176.0604 69 I 4.7053 8.5856 110.6499 60.8765 38.4723 175.5143 70 S 4.7972 8.0267 117.7746 56.4307 65.4218 174.1507 71 G 3.9890 8.2064 110.0861 44.8939 0.0000 172.4266 72 G 3.9745 8.6039 104.7744 44.0527 0.0000 171.2467 73 G 4.5214 8.0726 107.0379 44.7993 0.0000 172.9113 74 A 4.7543 8.4435 121.4966 51.4993 19.7670 177.7720 75 V 4.4651 8.7913 121.2465 61.1636 35.2480 173.6152 76 Y 5.1124 8.7742 128.5166 57.2159 39.6850 173.9746 77 H 4.8620 8.8028 124.2814 54.1880 32.1914 173.3743 78 D 4.8864 7.8102 119.3700 52.0921 42.7980 175.4878 79 L 4.1831 8.8291 117.0617 56.9695 41.8464 177.6173 80 N 4.9243 8.9324 116.5117 52.7108 38.9130 172.7850 81 N 5.2645 8.1664 118.2332 51.8902 40.4767 173.7564 82 L 4.5346 8.7174 129.3601 53.5553 43.8846 175.0755 83 N 4.8521 8.7017 125.3195 52.6684 39.8944 174.0123 84 Y 5.1712 8.1169 119.9525 55.5252 42.0358 174.5325 85 T 4.9159 8.9842 117.1270 62.1053 72.7956 172.9032 86 I 4.8004 8.9824 127.6365 59.8185 39.6171 174.9164 87 I 4.9955 9.1229 129.1662 59.5538 40.0699 175.3350 88 S 5.2673 9.2078 120.2400 56.5411 66.6445 173.4344 89 K 4.3798 9.0148 125.8966 56.6432 32.4593 175.7895 90 E 4.2112 9.1764 129.0590 56.5855 30.9883 175.5596 91 D 4.8575 8.6046 126.9364 52.8903 43.9802 175.4444 92 E 3.9731 9.1883 128.0800 59.9616 29.6438 178.0296 93 N 4.7140 8.7795 116.8527 52.4230 37.7165 178.6517 94 K 4.4156 8.0367 119.7906 54.6941 35.0490 179.6417 95 A 4.7400 8.6997 128.2161 49.3572 20.3616 175.7390 96 F 4.7707 8.6392 125.1134 57.1097 40.9054 172.6086 97 D 4.4561 8.7918 127.8179 51.2912 42.4016 175.7611 98 F 4.2621 8.5809 119.6987 61.9098 38.5897 177.0997 99 K 3.0986 8.1964 117.7135 59.6402 31.5763 179.1446 100 S 4.1590 7.7917 112.8125 61.1579 63.3715 175.9809 101 F 4.2700 7.9932 124.5731 60.7832 38.9451 177.2833 102 S 3.5243 7.5356 114.1725 61.1858 62.4571 176.7524 103 T 3.5763 6.9044 115.9463 65.9750 68.1772 174.5320 104 P 2.9700 0.0000 0.0000 65.2969 31.2055 178.7155 105 V 3.2133 6.9560 116.4394 65.9499 31.3386 178.0729 106 I 3.6511 7.5589 119.6347 64.4541 36.8217 178.2999 107 N 4.2219 8.1030 117.5252 56.3838 38.1893 177.3366 108 T 3.8275 7.4129 117.3270 66.9854 68.5688 176.4630 109 L 4.0499 8.1036 120.2688 57.7481 41.7059 179.4980 110 A 4.1609 8.1660 122.4104 54.5813 18.0563 179.2724 111 Q 3.9800 8.2285 117.7057 59.1657 29.1283 177.8433 112 L 4.4810 7.3757 117.0022 54.3758 41.8224 177.2701 113 G 3.8505 7.8968 106.8517 45.6301 0.0000 173.4415 114 V 4.1216 8.0818 121.6135 61.0307 33.6047 175.3896 115 K 4.4489 8.6131 128.6931 53.3682 31.5052 172.3900 116 A 5.2141 8.3780 128.7056 50.1506 21.8173 176.0967 117 E 4.7720 9.2289 116.6421 54.7263 34.6219 175.6510 118 F 4.9243 8.9046 125.4786 57.2072 39.0309 174.5654 119 T 4.3246 8.1465 121.6695 60.0863 70.0005 173.6463 120 G 3.7725 8.9827 119.7601 47.5848 0.0000 174.8584 121 R 4.5132 8.7589 118.5588 56.5007 32.0908 175.8457 122 N 5.2119 7.7846 113.9231 52.1886 40.7832 173.7362 123 D 5.3294 7.7280 116.9373 52.9794 43.3614 174.0016 124 L 5.2377 8.2963 119.3442 53.2808 44.6365 175.2013 125 E 5.4329 9.4387 120.3659 54.8186 34.2998 174.8744 126 I 4.5437 9.1662 122.9520 59.7859 40.6503 175.4917 127 D 4.2576 9.8277 128.2582 55.3330 39.4054 174.2454 128 G 4.0086 8.3362 103.8078 45.3343 0.0000 173.3744 129 K 4.7164 8.0719 122.5290 54.8098 34.4517 176.1165 130 K 5.2884 9.3220 127.8319 54.4773 32.8354 174.9177 131 F 5.1531 8.6684 117.4773 55.7472 39.9605 173.9367 132 C 5.6852 6.8940 119.8234 57.4883 35.2942 172.6400 133 G 4.1972 8.6280 111.8881 44.6389 0.0000 170.6505 134 N 5.3626 8.8972 124.4914 51.3952 40.7849 173.9845 135 A 4.5254 8.9094 125.2905 50.2562 23.1076 174.5959 136 Q 4.8807 8.9290 120.9984 54.2467 31.3532 174.5602 137 A 5.1630 8.4195 125.9627 50.3816 22.5379 174.6918 138 Y 5.0728 8.6221 121.2290 56.1387 41.9441 174.7545 139 I 4.2092 8.0964 122.8708 59.1028 41.2271 175.0662 140 N 4.2693 8.2120 119.4483 53.4316 37.6163 171.9475 141 G 4.0507 9.2471 110.7686 44.8833 0.0000 172.6452 142 R 4.9823 7.5216 119.4708 54.7157 33.3740 173.9390 143 I 5.1413 8.8261 126.1792 59.8215 41.3927 173.3885 *145 H 4.9802 8.5081 118.3556 56.5911 30.1129 172.6364 146 H 4.8013 9.2192 118.2703 54.1920 32.6642 173.3952 147 G 3.3074 6.0457 105.2624 45.6395 0.0000 171.1618 148 C 5.0745 7.6988 116.0097 57.8290 31.6199 173.3698 149 L 5.1349 9.2885 124.0797 53.1732 43.7024 175.8463 150 L 4.5634 9.4980 125.6271 54.6199 41.8172 177.2164 151 F 4.0329 8.9372 126.7399 59.1032 40.7324 177.2692 152 D 4.8841 7.8308 116.2717 52.6937 40.4131 175.5583 153 V 4.0647 8.0828 117.9236 62.6505 32.5743 174.8458 154 D 4.5310 9.2478 126.0464 54.1026 40.2741 176.5964 155 L 4.2596 8.4464 126.4033 55.5998 41.9567 178.0385 156 S 4.4113 7.9875 113.1532 59.1595 64.1152 176.3718 157 V 3.5385 7.1793 121.3165 65.7310 31.2234 177.1394 158 L 3.8128 7.7020 119.4225 58.5306 41.5165 178.8690 159 A 3.9697 7.7075 118.4396 54.9712 18.4214 178.7948 160 N 4.0686 7.7618 114.0379 55.3709 38.8073 176.2188 161 A 4.2682 7.3939 121.6683 52.9299 19.3839 176.4848 162 L 5.2862 7.4797 115.1929 52.7979 44.0078 175.8070 163 K 4.6586 8.5651 120.5255 55.0014 35.9787 175.5430 164 V 4.0711 8.1478 120.8074 61.3426 31.9645 175.5890 165 S 4.1911 9.0188 125.1875 59.4756 62.6168 175.1113 166 K 4.2584 8.5725 126.7696 56.5765 32.0322 176.9810 167 D 4.5338 8.0551 119.5667 55.2634 41.2616 176.9652 168 K 4.2976 8.2713 124.3243 54.3324 32.5456 175.7397 169 F 4.8954 8.4746 121.1531 54.5446 42.0433 174.6180 170 E 4.0108 9.1283 125.7094 56.4477 30.7666 175.6379 171 S 4.7566 8.6460 123.0840 56.8710 63.9512 174.1383 172 K 4.4109 9.6977 128.6842 52.0835 30.6724 176.3101 173 G 3.8192 7.3716 110.4186 46.5297 0.0000 170.1859 174 V 4.1599 8.0123 120.8625 60.0352 33.5677 171.8248 175 K 4.6146 8.1918 121.0528 54.8528 33.2577 175.6051 176 S 4.4354 8.4116 119.0902 58.4752 62.9972 176.0755 177 V 3.8828 8.1379 120.9133 61.3741 32.1150 178.0641 178 R 4.1242 8.3874 121.9673 55.3169 29.7961 176.0726 179 A 4.2691 8.4029 126.1916 51.0945 19.4747 176.4568 180 R 4.5462 8.3525 118.8308 55.0401 31.6341 176.1830 181 V 5.0908 8.3898 116.8993 59.9732 34.7371 174.8385 182 T 4.7299 8.5464 116.1838 60.7013 71.0726 172.6215 183 N 4.9007 8.4637 122.3520 52.0173 40.2371 176.1881 184 I 3.2155 8.5493 125.0722 64.4306 37.1135 178.2889 185 I 3.2276 6.9208 119.9914 63.7916 37.7141 177.1857 186 N 4.1125 7.5757 115.6840 54.7575 38.5674 175.4882 187 E 4.3149 8.0623 116.6179 56.5606 30.7917 176.4413 188 L 4.0629 6.9959 119.4977 53.7984 41.9464 175.3557 189 P 4.3088 0.0000 0.0000 65.0910 31.5905 177.4901 190 K 4.6179 7.8082 120.2786 52.7541 34.5851 178.6511 191 K 4.3509 8.5503 125.2688 53.5332 32.3521 174.4717 192 I 4.8863 8.0659 116.0483 57.5777 41.1129 175.2628 193 T 4.4139 8.1764 111.3337 60.8929 71.0978 175.8553 194 V 2.2480 7.9262 122.0767 64.8055 31.1481 178.3679 195 E 3.9231 7.9503 118.5620 58.8633 29.2692 178.9943 196 K 3.9147 7.9501 119.6535 59.4107 32.2398 178.4677 197 F 4.1206 8.1765 120.9478 61.3236 39.2485 176.7286 198 R 3.8239 8.2655 118.5899 59.9135 29.8011 178.2102 199 D 4.3873 8.2050 118.3034 57.2037 40.6949 178.7785 200 L 4.0184 8.1797 119.9391 57.6171 41.3633 179.4776 201 L 3.8779 7.5804 118.0847 57.6713 41.6600 179.0278 202 L 4.3106 7.8722 118.8500 58.3031 42.2746 178.3866 203 E 4.1371 8.5869 118.9607 59.4737 29.2726 179.5960 204 Y 4.0239 8.2051 117.4757 58.1490 37.7795 177.8636 *206 K 4.2497 8.0755 119.7949 55.7643 34.3321 178.2510 207 K 4.0261 7.6277 118.9364 59.0575 32.3486 177.5909 208 E 3.7217 8.0712 118.9288 58.5708 29.5553 176.4072 209 Y 4.9752 7.0392 116.4874 53.9661 37.9127 174.2260 210 P 4.2865 0.0000 0.0000 64.7025 32.4501 177.9337 211 E 4.1967 7.5950 119.5743 55.9985 28.1253 175.7775 *213 T 4.1937 7.4633 108.7264 62.0902 71.2966 173.5598 214 E 3.4053 8.1868 123.1391 55.8926 30.2790 175.0895 215 Y 4.0611 8.5127 129.4475 56.5493 39.6143 174.5989 216 V 4.0799 7.3880 126.5829 60.5561 33.1447 175.1411 217 F 4.7361 8.4722 126.7547 57.4766 39.5559 176.0441 218 S 4.5211 9.2787 120.6986 57.6392 65.2385 175.2297 219 E 3.9387 8.6991 121.3531 59.7224 29.0741 179.6595 220 E 3.9308 8.0767 117.8928 59.4889 29.6503 178.9814 221 E 3.8020 8.3770 118.6743 59.3727 29.5246 179.3899 222 L 3.7491 8.0589 118.8064 57.5768 41.5636 179.3915 223 A 3.9360 8.0744 120.7000 55.2410 18.3568 179.5441 224 E 3.7910 7.9205 116.9662 59.4869 29.4921 179.5196 225 I 3.3071 7.4146 120.1235 64.5407 37.1223 178.3110 226 N 4.4226 8.1931 117.0810 56.0492 38.3126 177.3798 227 R 3.8710 8.1957 120.5628 59.5948 30.1623 178.6480 228 I 3.6431 7.7428 119.4435 64.0445 36.9943 178.1239 229 K 3.9971 8.1615 120.5334 60.0086 31.8250 178.6214 230 D 4.4328 8.5345 118.0440 56.6040 40.8182 177.8094 231 T 4.4637 7.8318 107.7862 61.7797 69.9104 174.1680 232 K 4.0649 8.2495 120.3517 57.2856 34.4906 177.2234 233 F 4.3706 7.9906 122.7706 60.0173 39.7196 176.4701 234 G 4.0872 8.5084 108.6281 45.6657 0.0000 173.9317 235 T 4.7981 8.1027 111.7200 59.3534 72.2055 175.0667 236 W 4.2929 8.9410 132.5320 61.0670 30.4405 178.0811 237 D 4.4854 8.4951 118.3497 56.8665 40.0595 178.4383 238 W 4.2338 7.7828 128.1191 60.5239 30.9880 177.8125 239 N 4.0707 8.0744 114.9585 54.7642 38.1459 175.1204 240 Y 3.5515 7.7555 115.4724 55.2644 38.8263 176.6870 241 G 3.7374 6.5568 111.0730 44.9254 0.0000 174.4078 242 K 4.4720 8.3013 120.7412 53.9453 32.4655 177.9807 243 S 4.2367 8.5409 118.7640 57.4468 63.3785 172.7585 244 P 4.6355 0.0000 0.0000 61.8867 32.2228 175.6077 245 E 4.2575 8.6133 119.2443 56.1541 29.8603 176.6635 246 F 5.1010 8.1495 117.3658 55.8300 40.4415 173.4223 247 N 4.9084 8.2538 116.2475 52.5795 38.3632 174.2534 248 V 4.6385 8.6778 120.0925 61.4125 35.2309 173.9501 249 R 4.8386 8.7543 126.7116 54.5803 32.7945 174.3304 250 R 4.6172 8.6114 123.8596 54.4834 34.9963 174.6640 251 G 3.8789 8.0060 107.5775 44.9070 0.0000 171.6255 252 I 5.0171 9.0804 125.7356 59.3010 41.7537 174.2762 253 K 4.6524 9.2888 128.3697 55.0496 33.7034 175.4457 254 F 5.0720 8.8189 126.5147 56.0087 41.3870 177.3847 255 T 3.8805 8.9190 116.8842 66.9714 68.2576 175.6730 256 S 4.7195 9.3019 113.9627 56.8520 63.2700 173.1670 257 G 4.4884 7.2430 111.3403 43.9581 0.0000 172.4264 258 K 4.6462 9.1259 124.8927 56.0381 33.6713 175.8490 259 V 5.2031 9.4795 127.1653 61.2447 34.7063 173.4873 260 E 5.0410 9.9428 129.4712 54.3809 32.4702 174.4156 261 V 4.8499 8.7146 127.3211 61.1461 34.4496 173.9989 262 F 5.0656 9.6333 127.3381 55.8529 40.8913 174.3932 263 A 5.1481 9.2446 126.5209 49.9784 22.2878 174.2588 264 N 5.1176 9.1736 121.3309 52.2204 40.5409 173.7045 265 V 4.8708 8.9641 127.9434 61.2205 33.3741 175.1261 266 T 4.5980 8.3613 117.4651 61.0926 71.5911 173.6552 267 E 3.6984 9.6330 121.9935 57.9115 27.3831 174.8347 268 S 3.9140 8.2631 108.5410 59.3579 60.9544 172.1027 269 K 5.0222 7.8780 117.8183 54.4671 35.9449 176.0997 270 I 3.9837 8.6478 122.5328 61.3958 36.7181 176.7655 271 Q 4.0048 9.2127 130.3447 58.6990 29.4871 175.4548 272 D 4.9100 7.8606 116.2212 53.1276 45.2258 173.5159 273 I 5.1350 8.0758 121.1226 59.7850 41.3921 173.6920 274 K 4.8916 9.3872 128.7325 54.9157 35.9491 174.6643 275 I 5.2717 8.7756 127.5194 59.9224 39.6959 174.5816 276 Y 5.0190 10.9459 124.3204 55.5889 41.8111 175.6566 277 G 4.7861 7.9352 108.8491 45.8583 0.0000 172.4844 278 D 5.1672 7.9319 116.7253 52.7297 40.7677 176.2576 279 F 4.7677 8.2781 114.7718 57.8690 39.3360 173.4265 280 F 5.1160 9.1405 121.8544 56.5300 41.8162 174.3024 281 G 4.2663 7.2429 111.0905 43.6746 0.0000 172.8196 282 I 4.0017 8.1718 123.0042 63.0110 37.5882 176.0689 283 E 4.7439 7.3750 118.2693 53.7142 31.5729 175.3304 284 D 4.5600 8.7358 121.1392 54.8119 41.7854 177.8380 285 V 3.5871 8.6554 125.5649 63.5878 31.2306 177.8439 286 A 4.3914 8.7941 123.8468 54.7901 17.9952 179.2979 287 A 3.8162 7.6128 118.1980 55.1415 18.0996 180.1768 288 V 3.3208 6.9789 115.9274 66.0543 31.8453 177.4729 289 E 4.0952 8.1769 117.9062 60.0008 29.0036 179.2404 290 D 4.3820 8.2152 118.8950 57.2002 40.6644 179.0312 291 V 3.6359 7.4148 118.4609 63.8401 31.9042 177.6313 292 L 4.3879 7.6004 118.8004 54.7952 41.8557 176.6389 293 R 4.2139 6.8677 119.8284 57.7705 30.1830 176.7804 294 G 3.9774 9.4090 114.2758 45.3160 0.0000 173.7707 295 V 3.8244 7.6201 120.2751 61.8690 32.2139 175.4309 296 K 4.3065 8.6227 125.2317 57.5213 32.6520 177.5398 297 Y 4.5986 8.4879 126.8756 56.3046 37.3096 174.7167 298 E 4.5410 7.4410 121.0484 53.0549 35.3095 175.3161 299 R 3.8379 8.7229 125.8350 60.5280 30.0630 179.1108 300 E 3.9478 8.1104 117.1164 61.4148 29.7084 180.4864 301 D 4.5975 7.9604 119.4495 56.7721 41.0777 178.9407 302 V 3.5323 7.8706 118.9052 65.8142 31.5906 177.7126 303 L 3.8829 8.0550 120.2883 58.1079 41.6968 178.6240 304 K 3.8246 7.8331 117.8227 59.6957 32.3585 178.1110 305 A 4.1361 7.9678 120.7465 55.2468 18.1809 179.6676 306 L 4.0602 7.9962 117.3586 57.4492 41.4488 178.9618 307 K 4.4148 7.9524 116.0614 57.2308 32.0563 177.8893 308 T 4.4996 7.5849 109.9328 60.6859 69.4063 174.0641 309 I 4.6323 6.8144 114.2103 59.1062 41.0217 175.0383 310 D 4.5396 8.5551 121.0650 53.7043 40.1072 176.5798 311 I 4.0904 8.3116 127.9705 63.8885 37.9055 177.1861 312 T 3.9985 7.7594 109.4607 64.0396 68.9276 176.3265 313 R 3.8057 7.8373 120.8949 57.9982 29.7994 177.4484 314 Y 4.2097 7.4464 115.2119 58.5031 40.0358 174.6557 315 F 4.9735 8.3910 118.9133 54.8828 39.9929 172.6852 316 A 4.0702 9.4096 128.3188 53.1786 18.6537 178.3930 317 G 4.0086 9.1396 110.8418 45.4831 0.0000 172.9724 318 I 4.4654 7.2923 120.1738 58.7959 39.9455 176.3715 319 S 4.4473 8.8035 120.5757 57.5579 65.4205 175.7263 320 R 3.8146 8.2906 121.2115 59.4146 29.8654 179.1616 321 E 3.9378 8.0133 117.8648 59.3791 29.5116 179.1564 322 E 3.9139 7.9938 118.5237 59.4090 29.4037 179.4457 323 I 3.3488 7.6988 119.9600 64.1211 36.9812 178.1118 324 A 3.9011 8.2485 122.0272 55.3212 17.9055 179.3339 325 E 3.9319 7.8942 116.0903 59.3104 29.8029 178.4436 326 A 4.1603 7.8795 119.8428 55.2792 18.5163 179.5369 327 V 3.7736 7.7181 115.9789 64.7555 32.0975 176.8545 328 V 4.2906 7.5086 116.2305 59.6862 34.3207 174.7429 329 G 3.6683 8.5079 110.5520 45.9438 0.0000 173.2590 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 *0 H 8.30 4.58 0.00 2.85 3.04 0.00 7.18 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 8.21 4.81 0.00 1.68 1.79 0.00 1.63 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 3 Y 8.46 6.10 0.00 3.20 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 4 I 8.45 4.79 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.94 0.00 0.00 5 I 8.46 4.33 2.05 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 1.49 0.89 0.80 0.00 0.00 6 N 8.66 4.88 0.00 2.68 2.71 0.00 0.00 7.15 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.78 4.97 0.00 3.22 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.20 4.30 0.00 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 0.00 9 N 8.53 5.68 0.00 2.82 2.93 0.00 0.00 7.26 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 10 D 8.36 4.79 0.00 2.74 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 11 T 8.87 4.27 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 12 A 8.08 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.27 3.98 0.00 3.11 3.24 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 14 N 8.53 3.78 0.00 2.95 2.22 0.00 0.00 7.10 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 15 I 7.52 3.25 1.38 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 1.53 0.72 0.04 0.00 0.00 16 A 7.38 3.80 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 17 L 7.29 3.42 0.00 0.84 1.17 0.81 0.96 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 18 E 7.52 3.71 0.00 1.50 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 19 E 8.15 4.03 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 20 Y 8.29 3.91 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.17 3.98 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 22 F 8.24 4.47 0.00 2.87 3.24 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 23 K 8.43 3.97 0.00 1.64 1.52 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.80 1.25 7.81 24 H 7.97 4.44 0.00 1.81 2.26 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 6.94 4.29 0.00 1.72 1.31 0.30 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.32 4.11 0.00 1.54 1.63 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.91 4.54 0.00 2.66 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 28 E 7.65 4.57 0.00 1.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 29 D 8.53 4.60 0.00 2.57 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 30 Q 7.78 5.11 0.00 1.46 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.69 0.00 0.00 0.00 0.00 0.00 1.47 2.32 0.00 31 I 9.36 4.99 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.72 0.94 0.00 0.00 32 F 9.43 5.79 0.00 3.39 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 33 L 8.28 4.71 0.00 1.76 1.78 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.08 5.36 0.00 1.53 1.62 1.16 1.04 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 35 W 8.44 5.09 0.00 3.51 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 36 I 8.45 4.86 1.95 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 1.48 0.71 1.00 0.00 0.00 37 N 8.74 5.52 0.00 2.69 2.77 0.00 0.00 6.88 7.24 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 38 K 8.69 4.10 0.00 1.79 1.95 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 P 0.00 4.39 0.00 2.19 2.29 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 40 S 8.92 5.16 0.00 3.62 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 41 I 9.10 4.84 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.10 0.95 0.00 0.00 42 I 8.84 4.79 1.80 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 0.90 0.62 0.95 0.00 0.00 43 V 8.40 4.65 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 0.62 0.00 0.00 0.71 0.00 0.00 44 G 9.06 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 45 R 8.39 3.91 0.00 1.97 1.77 0.00 3.43 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.69 0.00 46 H 7.61 4.76 0.00 2.79 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.60 4.53 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.22 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 48 N 8.49 4.74 0.00 2.61 2.73 0.00 0.00 7.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.19 3.72 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 0.43 0.00 0.00 50 I 7.81 3.97 2.10 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 1.79 0.75 1.02 0.00 0.00 51 E 8.04 4.46 0.00 2.18 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 2.33 2.65 0.00 52 E 8.35 4.51 0.00 1.94 1.93 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 2.38 2.35 0.00 53 I 7.54 4.58 2.02 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 1.42 0.77 1.05 0.00 0.00 54 N 8.95 4.62 0.00 2.75 2.89 0.00 0.00 6.46 7.25 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 55 R 8.55 3.97 0.00 2.00 2.02 0.00 3.25 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 56 D 8.23 4.44 0.00 2.80 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.60 4.00 0.00 3.11 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 58 V 8.10 3.76 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 0.94 0.00 0.00 1.13 0.00 0.00 59 R 8.08 3.93 0.00 2.08 1.99 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 60 E 8.06 3.96 0.00 1.85 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 2.33 2.43 0.00 61 N 7.75 4.68 0.00 2.40 2.63 0.00 0.00 7.07 7.79 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 62 G 7.60 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 63 I 7.77 4.47 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 1.21 0.00 0.00 64 E 9.16 4.26 0.00 1.96 1.95 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 2.39 2.47 0.00 65 V 8.47 4.92 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 1.05 0.00 0.00 66 V 8.52 4.79 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.06 0.00 0.00 67 R 9.12 4.79 0.00 1.44 1.26 0.00 2.21 0.00 0.00 2.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 68 R 8.88 4.81 0.00 1.96 2.02 0.00 3.12 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 69 I 8.59 4.71 2.08 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 1.25 0.00 0.00 70 S 8.03 4.80 0.00 4.23 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.60 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 0.00 0.00 0.00 73 G 8.07 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.44 4.75 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 75 V 8.79 4.47 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 0.98 0.00 0.00 0.98 0.00 0.00 76 Y 8.77 5.11 0.00 3.00 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 77 H 8.80 4.86 0.00 2.88 3.00 0.00 5.83 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.81 4.89 0.00 2.75 2.52 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 0.00 0.00 0.00 0.00 79 L 8.83 4.18 0.00 1.69 1.80 0.95 0.96 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 80 N 8.93 4.92 0.00 3.01 2.99 0.00 0.00 6.36 7.44 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 81 N 8.17 5.26 0.00 2.61 2.72 0.00 0.00 6.89 7.40 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 82 L 8.72 4.53 0.00 1.91 1.70 0.95 0.62 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 83 N 8.70 4.85 0.00 1.44 1.42 0.00 0.00 6.09 7.03 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 84 Y 8.12 5.17 0.00 2.66 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 85 T 8.98 4.92 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 1.27 0.00 0.00 86 I 8.98 4.80 1.89 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 1.08 0.69 0.33 0.00 0.00 87 I 9.12 5.00 1.99 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 1.23 0.73 1.10 0.00 0.00 88 S 9.21 5.27 0.00 4.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 9.01 4.38 0.00 1.77 1.80 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.41 7.81 90 E 9.18 4.21 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 91 D 8.60 4.86 0.00 2.70 2.50 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 92 E 9.19 3.97 0.00 2.14 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 2.30 2.28 0.00 93 N 8.78 4.71 0.00 2.75 2.74 0.00 0.00 6.71 8.21 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 94 K 8.04 4.42 0.00 1.76 1.57 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 1.26 7.81 95 A 8.70 4.74 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 96 F 8.64 4.77 0.00 2.83 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 97 D 8.79 4.46 0.00 2.60 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 98 F 8.58 4.26 0.00 3.13 3.16 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 99 K 8.20 3.10 0.00 2.00 1.58 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.54 1.10 7.81 100 S 7.79 4.16 0.00 4.15 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 0.00 101 F 7.99 4.27 0.00 2.83 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 0.00 102 S 7.54 3.52 0.00 3.60 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 6.90 3.58 4.08 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 1.13 0.00 0.00 104 P 0.00 2.97 0.00 1.87 2.02 0.00 3.44 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 105 V 6.96 3.21 1.80 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 1.17 0.00 0.00 -0.19 0.00 0.00 106 I 7.56 3.65 1.85 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 1.65 0.74 0.90 0.00 0.00 107 N 8.10 4.22 0.00 2.16 2.77 0.00 0.00 7.02 6.70 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 0.00 108 T 7.41 3.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 109 L 8.10 4.05 0.00 1.81 1.76 0.74 0.48 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 0.00 110 A 8.17 4.16 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 0.00 111 Q 8.23 3.98 0.00 2.17 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 112 L 7.38 4.48 0.00 1.83 1.72 1.17 0.98 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 0.00 113 G 7.90 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 0.00 114 V 8.08 4.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.87 0.00 0.00 115 K 8.61 4.45 0.00 1.81 1.62 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 0.99 7.81 116 A 8.38 5.21 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 0.00 117 E 9.23 4.77 0.00 1.59 1.74 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 2.13 2.10 0.00 118 F 8.90 4.92 0.00 2.87 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 0.00 119 T 8.15 4.32 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 1.29 0.00 0.00 120 G 8.98 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 0.00 121 R 8.76 4.51 0.00 1.79 1.78 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 122 N 7.78 5.21 0.00 2.43 2.68 0.00 0.00 6.67 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 0.00 123 D 7.73 5.33 0.00 2.79 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 0.00 124 L 8.30 5.24 0.00 0.67 1.38 0.75 0.96 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 0.00 125 E 9.44 5.43 0.00 1.87 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 2.14 2.24 0.00 126 I 9.17 4.54 1.79 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.58 0.81 0.00 0.00 127 D 9.83 4.26 0.00 2.70 2.65 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 0.00 128 G 8.34 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 0.00 129 K 8.07 4.72 0.00 1.94 1.69 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.49 7.81 130 K 9.32 5.29 0.00 1.40 1.69 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.10 7.81 131 F 8.67 5.15 0.00 3.02 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 0.00 132 C 6.89 5.69 0.00 2.50 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.63 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 0.00 134 N 8.90 5.36 0.00 1.44 2.26 0.00 0.00 6.85 8.77 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 0.00 135 A 8.91 4.53 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 0.00 136 Q 8.93 4.88 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 137 A 8.42 5.16 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 0.00 0.00 138 Y 8.62 5.07 0.00 2.93 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 0.00 139 I 8.10 4.21 1.51 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.09 0.49 0.00 0.00 140 N 8.21 4.27 0.00 2.77 2.67 0.00 0.00 6.60 7.51 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 0.00 141 G 9.25 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 0.00 142 R 7.52 4.98 0.00 1.73 1.49 0.00 2.82 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 143 I 8.83 5.14 2.05 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 1.59 0.92 1.03 0.00 0.00 *145 H 8.51 4.98 0.00 3.21 3.64 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.22 4.80 0.00 3.02 3.15 0.00 5.35 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 0.00 147 G 6.05 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 C 7.70 5.07 0.00 2.74 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 0.00 149 L 9.29 5.13 0.00 1.96 1.93 1.38 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 150 L 9.50 4.56 0.00 1.78 1.90 1.01 0.88 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 0.00 151 F 8.94 4.03 0.00 3.09 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 0.00 152 D 7.83 4.88 0.00 2.68 2.67 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 0.00 153 V 8.08 4.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.00 0.00 0.00 154 D 9.25 4.53 0.00 2.84 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 0.00 155 L 8.45 4.26 0.00 1.68 1.70 0.93 0.99 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 0.00 156 S 7.99 4.41 0.00 3.96 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 0.00 157 V 7.18 3.54 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 0.00 0.00 0.70 0.00 0.00 0.72 0.00 0.00 158 L 7.70 3.81 0.00 1.79 1.63 0.98 1.27 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 0.00 159 A 7.71 3.97 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 0.00 160 N 7.76 4.07 0.00 2.07 1.65 0.00 0.00 6.96 6.89 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 0.00 161 A 7.39 4.27 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 0.00 162 L 7.48 5.29 0.00 1.47 1.55 0.90 0.87 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 0.00 163 K 8.57 4.66 0.00 1.72 1.77 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.36 7.81 164 V 8.15 4.07 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 0.91 0.00 0.00 165 S 9.02 4.19 0.00 4.10 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 0.00 166 K 8.57 4.26 0.00 1.82 1.71 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.03 7.81 167 D 8.06 4.53 0.00 2.75 2.52 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 0.00 0.00 0.00 0.00 168 K 8.27 4.30 0.00 1.78 1.59 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 169 F 8.47 4.90 0.00 2.80 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 0.00 170 E 9.13 4.01 0.00 1.98 1.72 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 2.22 2.24 0.00 171 S 8.65 4.76 0.00 3.76 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 0.00 172 K 9.70 4.41 0.00 1.49 1.41 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.34 7.81 173 G 7.37 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 8.01 4.16 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 0.76 0.00 0.00 0.93 0.00 0.00 175 K 8.19 4.61 0.00 1.76 1.61 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 0.98 7.81 176 S 8.41 4.44 0.00 3.62 3.68 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 0.00 177 V 8.14 3.88 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 0.86 0.00 0.00 0.93 0.00 0.00 178 R 8.39 4.12 0.00 1.82 1.76 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 179 A 8.40 4.27 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 0.00 180 R 8.35 4.55 0.00 1.78 1.87 0.00 3.08 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 181 V 8.39 5.09 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 0.69 0.00 0.00 0.94 0.00 0.00 182 T 8.55 4.73 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 1.23 0.00 0.00 183 N 8.46 4.90 0.00 2.58 2.72 0.00 0.00 6.83 6.91 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 0.00 184 I 8.55 3.22 1.19 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.55 0.35 0.00 0.00 185 I 6.92 3.23 1.23 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 1.14 1.13 0.77 0.00 0.00 186 N 7.58 4.11 0.00 2.78 2.77 0.00 0.00 6.94 8.71 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 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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 0.00 0.00 0.00 2.37 2.40 0.00 196 K 7.95 3.91 0.00 1.91 2.03 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.56 7.81 197 F 8.18 4.12 0.00 3.01 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 0.00 198 R 8.27 3.82 0.00 1.99 2.19 0.00 3.25 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 1.68 1.75 0.00 199 D 8.20 4.39 0.00 2.87 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 0.00 200 L 8.18 4.02 0.00 1.72 1.66 1.00 0.90 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 0.00 201 L 7.58 3.88 0.00 1.73 1.86 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 202 L 7.87 4.31 0.00 1.72 1.85 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.59 4.14 0.00 2.21 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 2.45 2.47 0.00 204 Y 8.21 4.02 0.00 3.06 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 *206 K 8.08 4.25 0.00 1.99 1.88 0.00 1.25 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.32 7.81 207 K 7.63 4.03 0.00 1.90 1.43 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.24 7.81 208 E 8.07 3.72 0.00 1.74 1.69 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 1.97 1.47 0.00 209 Y 7.04 4.98 0.00 3.19 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 P 0.00 4.29 0.00 2.04 2.11 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 211 E 7.59 4.20 0.00 2.01 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 2.35 2.40 0.00 *213 T 7.46 4.19 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 214 E 8.19 3.41 0.00 1.41 1.58 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 1.95 1.67 0.00 215 Y 8.51 4.06 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 V 7.39 4.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.82 0.00 0.00 217 F 8.47 4.74 0.00 3.15 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 0.00 218 S 9.28 4.52 0.00 4.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 E 8.70 3.94 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.99 0.00 220 E 8.08 3.93 0.00 2.03 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 2.40 2.41 0.00 221 E 8.38 3.80 0.00 2.29 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 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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 0.00 0.00 0.00 0.00 0.00 0.00 231 T 7.83 4.46 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 1.25 0.00 0.00 232 K 8.25 4.06 0.00 1.25 1.02 0.00 0.79 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 233 F 7.99 4.37 0.00 3.18 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 0.00 234 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 0.00 235 T 8.10 4.80 4.41 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 1.33 0.00 0.00 236 W 8.94 4.29 0.00 3.49 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 0.00 237 D 8.50 4.49 0.00 2.90 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 0.00 238 W 7.78 4.23 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 0.00 239 N 8.07 4.07 0.00 2.81 2.66 0.00 0.00 7.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 Y 7.76 3.55 0.00 1.43 1.84 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 0.00 241 G 6.56 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 0.00 242 K 8.30 4.47 0.00 1.79 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.03 7.81 243 S 8.54 4.24 0.00 3.92 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 0.00 244 P 0.00 4.64 0.00 2.30 2.12 0.00 3.29 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 245 E 8.61 4.26 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 2.26 0.00 246 F 8.15 5.10 0.00 3.60 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 N 8.25 4.91 0.00 2.72 2.85 0.00 0.00 6.62 7.55 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 0.00 248 V 8.68 4.64 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.89 0.00 0.00 249 R 8.75 4.84 0.00 1.39 1.61 0.00 2.96 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 250 R 8.61 4.62 0.00 1.78 1.65 0.00 3.23 0.00 0.00 3.44 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 251 G 8.01 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 0.00 252 I 9.08 5.02 1.54 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 0.95 0.52 -0.07 0.00 0.00 253 K 9.29 4.65 0.00 1.71 1.60 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.55 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.30 7.81 254 F 8.82 5.07 0.00 3.18 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 T 8.92 3.88 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 1.25 0.00 0.00 256 S 9.30 4.72 0.00 3.94 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 G 7.24 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 K 9.13 4.65 0.00 1.70 1.89 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.78 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.30 1.01 7.81 259 V 9.48 5.20 2.38 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 1.01 0.00 0.00 1.09 0.00 0.00 260 E 9.94 5.04 0.00 2.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 261 V 8.71 4.85 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 0.98 0.00 0.00 0.97 0.00 0.00 262 F 9.63 5.07 0.00 2.93 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 0.00 263 A 9.24 5.15 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 0.00 264 N 9.17 5.12 0.00 3.10 2.73 0.00 0.00 6.46 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 V 8.96 4.87 1.81 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 0.80 0.00 0.00 -0.02 0.00 0.00 266 T 8.36 4.60 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 1.19 0.00 0.00 267 E 9.63 3.70 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 268 S 8.26 3.91 0.00 4.07 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 0.00 269 K 7.88 5.02 0.00 1.91 1.66 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.57 7.81 270 I 8.65 3.98 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.98 1.02 0.00 0.00 271 Q 9.21 4.00 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 272 D 7.86 4.91 0.00 2.74 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 0.00 273 I 8.08 5.14 1.92 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 1.30 0.90 0.94 0.00 0.00 274 K 9.39 4.89 0.00 1.88 1.75 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.10 1.46 7.81 275 I 8.78 5.27 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 1.20 0.00 0.00 276 Y 10.95 5.02 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 277 G 7.94 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 D 7.93 5.17 0.00 2.75 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 0.00 279 F 8.28 4.77 0.00 3.42 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 0.00 280 F 9.14 5.12 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 0.00 281 G 7.24 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 0.00 0.00 0.00 0.00 282 I 8.17 4.00 1.76 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 1.59 0.79 0.98 0.00 0.00 283 E 7.38 4.74 0.00 1.70 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 2.38 2.08 0.00 284 D 8.74 4.56 0.00 2.77 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 0.00 285 V 8.66 3.59 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 0.60 0.00 0.00 0.64 0.00 0.00 286 A 8.79 4.39 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 0.00 287 A 7.61 3.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 V 6.98 3.32 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 0.92 0.00 0.00 0.36 0.00 0.00 289 E 8.18 4.10 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 290 D 8.22 4.38 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 291 V 7.41 3.64 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 0.75 0.00 0.00 0.98 0.00 0.00 292 L 7.60 4.39 0.00 1.73 1.78 0.93 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 0.00 293 R 6.87 4.21 0.00 1.85 1.86 0.00 3.30 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 294 G 9.41 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 0.00 295 V 7.62 3.82 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 1.05 0.00 0.00 0.99 0.00 0.00 296 K 8.62 4.31 0.00 2.06 1.79 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.45 1.02 7.81 297 Y 8.49 4.60 0.00 2.88 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 0.00 298 E 7.44 4.54 0.00 2.08 1.70 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 2.29 2.29 0.00 299 R 8.72 3.84 0.00 1.81 1.88 0.00 3.18 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 300 E 8.11 3.95 0.00 2.01 1.95 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 2.32 1.98 0.00 301 D 7.96 4.60 0.00 2.92 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 0.00 302 V 7.87 3.53 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 0.96 0.00 0.00 0.97 0.00 0.00 303 L 8.06 3.88 0.00 1.82 1.77 0.91 0.75 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 0.00 304 K 7.83 3.82 0.00 1.96 1.99 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 305 A 7.97 4.14 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 0.00 306 L 8.00 4.06 0.00 1.85 1.71 0.87 0.50 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 0.00 307 K 7.95 4.41 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.73 7.81 308 T 7.58 4.50 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 0.00 309 I 6.81 4.63 2.01 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 1.24 0.91 0.93 0.00 0.00 310 D 8.56 4.54 0.00 2.72 2.65 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 0.00 311 I 8.31 4.09 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.95 0.00 0.00 312 T 7.76 4.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 313 R 7.84 3.81 0.00 0.70 1.27 0.00 3.02 0.00 0.00 3.00 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 314 Y 7.45 4.21 0.00 2.84 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 315 F 8.39 4.97 0.00 2.93 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 0.00 316 A 9.41 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 317 G 9.14 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 0.00 318 I 7.29 4.47 1.68 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.05 0.00 0.00 319 S 8.80 4.45 0.00 4.04 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 0.00 320 R 8.29 3.81 0.00 1.83 1.97 0.00 3.12 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 321 E 8.01 3.94 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 2.37 2.43 0.00 322 E 7.99 3.91 0.00 1.68 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 323 I 7.70 3.35 1.54 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.21 0.49 0.00 0.00 324 A 8.25 3.90 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 0.00 325 E 7.89 3.93 0.00 2.15 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 0.00 2.35 2.33 0.00 326 A 7.88 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 V 7.72 3.77 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 328 V 7.51 4.29 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 0.48 0.00 0.00 0.01 0.00 0.00 329 G 8.51 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.