NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.7785 8.2076 120.4621 54.0856 43.2168 174.3978 4 T 4.1575 8.4809 112.8747 60.5259 69.5349 172.8070 5 F 4.7923 9.0064 127.9317 57.2703 41.8042 176.7229 6 E 4.0363 7.4843 122.6055 53.5764 32.6461 172.8610 7 R 3.6104 7.8400 125.3563 55.6426 30.8463 175.2884 8 T 4.1740 8.3045 120.9995 65.1732 70.0546 175.3335 9 G 3.8937 7.7855 107.1990 42.9595 0.0000 170.9770 10 P 4.2372 0.0000 0.0000 62.4230 31.4286 177.3324 11 L 3.9187 8.3316 123.1310 55.2531 42.0181 176.3912 *13 E 3.7455 8.2256 115.1963 55.1797 30.6973 176.6414 14 A 4.4859 8.8507 127.1734 55.4738 18.5900 179.4144 15 S 4.4031 8.0804 108.8607 61.0482 62.8241 175.2960 16 S 4.2092 8.1512 116.4487 59.3818 62.9289 173.2286 17 Y 4.4186 7.3426 117.7673 55.0086 40.3297 174.3295 18 P 4.3434 0.0000 0.0000 62.3197 33.2792 177.3658 19 A 3.9613 8.6246 122.3201 55.3758 18.1858 180.2834 20 W 4.1382 8.0636 114.2815 59.6691 28.1141 178.3384 21 A 3.0404 5.9967 120.9628 54.4621 17.7229 179.4509 22 Q 3.8555 7.6966 116.6349 59.0077 28.6860 178.6845 23 Q 3.9688 8.2052 120.7169 59.0959 29.1054 178.1166 24 L 3.9907 8.0504 121.2715 58.2562 41.9995 178.9299 25 I 3.7654 7.8640 119.7422 64.6084 36.8567 178.1933 26 N 4.3802 8.0009 115.7770 56.5470 38.4629 177.0084 27 D 4.5217 8.3447 119.4800 56.9696 41.2248 177.6931 28 C 4.6027 8.2094 115.5946 60.1060 28.5567 175.8291 29 S 4.1035 7.8530 117.6541 60.9011 62.5265 174.6587 30 P 4.1468 0.0000 0.0000 65.5327 30.5319 178.2524 31 A 3.9166 7.9032 120.0669 54.5943 18.3807 179.3995 32 K 3.0235 7.7326 118.0029 59.1488 32.1404 178.9077 33 A 3.9734 8.0450 121.2664 55.2857 18.0493 179.6337 34 R 3.8922 7.6232 115.5646 59.3971 30.4141 179.2145 35 V 4.0210 7.3807 118.2606 65.9404 31.5362 178.3106 36 V 3.7760 7.8241 117.2988 66.0038 31.5047 176.5436 37 E 4.5496 8.5400 116.9562 56.5205 29.4179 176.5135 38 H 4.2939 8.1232 119.5050 55.9774 31.6359 175.4348 39 E 3.8794 8.5743 127.5645 59.4219 29.1328 178.8064 40 L 3.7603 8.0039 118.5926 58.6923 42.1195 178.3171 41 Y 4.3421 7.3476 114.3033 61.0258 37.9971 178.0379 42 Q 4.2835 7.9869 119.3020 58.9459 28.7938 179.0750 43 Q 4.2189 8.0700 115.8562 56.5804 28.2090 178.1244 *45 R 4.6058 7.7865 121.3349 56.8056 31.5801 176.4754 46 D 4.7038 7.9371 113.8145 53.4826 40.7588 176.0281 47 A 3.9732 7.9589 120.3910 53.7205 15.9934 178.1729 48 K 4.4713 8.4308 117.0136 57.0989 33.5660 176.6335 49 L 4.0915 7.7373 122.1278 53.9421 42.8907 176.2321 50 S 4.1092 8.6920 120.3971 58.1860 62.6639 173.1870 51 P 4.3251 0.0000 0.0000 65.6735 31.5796 177.8209 52 Q 4.1181 8.1164 117.1172 59.2067 28.7397 179.3056 53 I 3.8055 7.4863 116.8112 61.7892 36.7733 178.1927 *55 R 4.1372 8.1857 121.6447 56.5750 31.7215 177.3851 56 Q 3.9234 7.7010 116.7707 58.9896 28.4925 178.1420 57 Y 3.9925 8.2326 120.7263 60.8936 38.6363 178.3681 58 L 3.9799 7.8054 117.8094 57.7362 42.1581 179.3247 59 I 4.0844 8.1308 119.9816 64.5318 36.9774 178.7396 60 G 3.9686 8.4440 105.6857 47.8955 0.0000 175.5944 61 G 3.4763 8.7636 107.7561 46.4772 0.0000 175.5051 62 W 3.8819 8.0459 130.6289 60.1785 30.6716 175.9099 63 P 3.8556 0.0000 0.0000 65.7246 30.6084 178.7488 64 V 3.8136 7.4947 116.3156 65.7435 31.3007 178.1206 65 V 3.4042 6.6588 116.3214 65.8576 31.4002 177.2622 66 E 3.3909 7.3638 117.7558 58.6591 29.5368 177.8912 67 Q 4.0832 7.3749 115.4986 55.3889 28.7253 177.0777 68 F 4.0238 7.5254 123.3669 61.5854 39.5068 176.8563 69 A 4.0265 7.8563 118.0350 54.8067 18.3861 179.2975 70 V 3.5924 7.2796 116.7266 66.0889 31.5749 177.8807 71 Y 4.1065 7.1861 112.1691 59.0785 37.2599 177.7432 *73 A 4.3151 7.8976 125.1628 52.2054 20.5817 179.9759 74 K 3.8577 8.1489 114.5403 59.6888 32.2805 179.0932 75 N 4.4066 8.2272 116.7838 56.0249 38.4011 177.2695 76 L 4.0220 7.8634 121.7111 58.1410 42.0388 178.7045 77 T 4.0262 7.5059 108.2820 63.9192 68.7206 176.1574 78 K 4.1322 7.6933 121.2467 57.9734 32.4328 177.4664 79 T 4.4944 7.0659 108.6455 61.2440 69.7797 174.1679 80 R 4.7329 8.3562 120.6920 54.3803 34.1425 175.0316 81 F 4.3905 8.8820 123.1536 59.0430 40.1160 175.6453 82 G 4.1696 8.3650 114.9499 46.6237 0.0000 174.7345 83 R 4.1249 7.5341 120.7641 58.3658 30.6090 176.2611 84 H 4.8427 7.6182 115.4246 53.8451 32.9677 171.9928 85 P 4.2108 0.0000 0.0000 65.5920 31.4904 178.1832 86 G 3.8249 8.3566 106.0925 48.5498 0.0000 174.2818 87 E 4.0748 8.3183 120.7605 59.1319 29.6779 178.4069 88 D 4.5680 8.0791 116.8515 54.7626 40.4734 178.1354 *90 A 4.2872 8.1836 123.3812 52.4338 19.9139 179.2019 91 R 3.8685 7.8185 113.6154 60.3276 29.9496 178.0218 92 R 4.1481 8.0498 117.7477 59.3138 30.5899 178.7224 93 W 4.3186 8.2541 127.2517 60.2755 30.8260 178.5797 94 L 4.3512 8.4731 118.3567 54.9822 41.2225 179.4877 *96 R 4.1523 7.9662 119.0027 56.4821 31.8223 177.7285 97 N 4.2802 7.7667 114.1670 55.0382 38.0120 177.6312 98 I 3.7143 7.5659 122.1668 64.2431 37.2880 178.1840 99 R 3.8388 7.5037 118.7820 59.3414 29.6387 178.7005 100 V 3.5591 7.0061 115.9161 65.8474 31.8220 177.1964 101 E 3.7881 7.8198 115.8450 56.6517 29.0863 178.1742 102 L 3.8195 7.1812 120.9444 58.2315 42.4259 177.8593 103 N 4.7622 7.5754 112.9576 53.4099 38.8382 176.5159 104 H 4.3754 8.1520 120.5626 58.9264 28.8011 177.5465 105 A 4.4067 8.1082 122.1881 55.4568 18.3835 179.2736 106 D 4.5270 8.1960 116.9820 57.7220 40.9399 178.4752 107 Y 4.6233 8.2705 117.4579 60.9396 37.8636 178.2605 108 W 4.2888 8.9747 129.4812 60.6441 30.9116 178.1490 109 V 3.5679 8.4002 118.2241 66.1353 30.6586 177.8161 110 N 4.4468 8.1022 115.5019 55.8531 38.5083 176.9235 111 W 4.5029 8.4401 129.8554 60.6720 30.7348 177.7003 112 C 3.8327 8.1516 116.5797 62.8666 27.6444 175.9769 113 A 3.9476 8.0820 121.9025 55.1536 17.7111 179.3744 114 A 4.1893 7.7295 117.7433 54.3250 18.3854 177.9076 115 H 4.7728 7.8492 113.1441 54.9591 29.4608 173.8302 116 D 4.2698 7.7333 117.3242 55.6790 38.4964 174.6431 117 V 4.2648 7.6554 118.4406 61.2479 32.6608 175.5663 118 T 4.2506 8.7247 119.0849 60.8322 71.1502 175.3007 119 L 3.6580 8.1685 122.4527 58.0710 41.9540 178.7267 120 E 3.9585 8.0327 118.2670 59.4287 29.5299 178.7864 121 D 4.3176 7.9026 118.8672 57.4239 40.6568 178.9019 122 L 3.8813 7.2368 117.9948 57.9181 41.4932 179.0788 123 H 4.5542 7.9265 115.3895 59.0987 28.7941 177.3574 124 D 4.4220 8.3908 119.7997 55.3193 41.4796 176.6168 125 Q 3.3341 7.8709 116.9594 57.0912 27.3867 175.5733 126 R 4.3042 7.5956 115.4161 55.7440 29.2435 175.7280 127 V 4.4271 6.9742 110.4074 58.6000 36.3715 175.9467 128 A 4.0148 8.1825 123.6269 51.7942 18.6874 176.9358 129 P 4.1456 0.0000 0.0000 65.5954 31.1678 178.4438 130 E 3.8569 8.2761 116.9687 59.8277 29.1338 179.2998 131 L 4.2140 7.7435 116.9183 57.1710 42.0590 178.2172 132 H 4.6581 8.2809 115.2613 56.2362 28.9516 176.7784 133 A 3.8646 7.5763 124.1140 55.1556 18.0059 179.2748 134 L 4.2548 7.9536 118.2843 58.4772 42.1205 179.1350 135 S 4.3498 7.9859 114.9430 61.4482 62.9365 176.0614 136 H 4.3954 8.0591 119.4591 58.1783 28.3342 177.6803 137 W 4.5171 8.6089 130.2950 60.8090 30.6461 177.8238 138 C 3.2940 8.2468 117.0268 62.1518 27.3431 175.7046 139 W 3.9455 8.2661 130.0639 60.6258 30.2540 177.6621 140 Q 4.0225 8.3557 119.2267 59.4316 28.4228 178.3611 141 T 3.7306 7.7146 115.6928 64.5540 67.1327 176.3761 142 S 4.1739 7.2830 114.0594 60.5889 62.9566 176.2981 143 S 4.0928 7.3613 118.9857 60.7916 63.0148 175.1148 144 S 4.5811 8.0425 112.7669 58.0921 64.2778 173.9932 145 D 4.6898 8.1074 122.3020 52.8400 41.9127 175.9070 146 S 4.1544 8.2170 115.4857 58.1717 64.6256 174.7112 147 L 3.8084 8.5041 125.0072 58.6574 41.7491 179.1103 148 A 4.0665 7.7810 118.4228 55.0831 18.7005 179.3477 149 V 3.6991 7.4010 115.2508 65.9494 31.6198 179.0543 150 A 4.0110 8.2047 118.9091 52.1804 18.0869 178.8448 *152 A 4.2288 8.0219 125.3233 53.6961 20.5965 180.0644 153 A 4.0620 8.1302 118.0701 54.7644 18.3127 177.6856 154 T 4.4358 7.2701 104.7668 63.4324 70.5636 176.6656 155 N 4.8204 8.0581 122.0172 55.4021 39.4372 175.9631 156 Y 4.2445 7.9143 118.5691 60.1124 39.8460 177.0257 157 A 3.5770 8.3652 121.2357 55.3218 18.4404 179.4582 158 I 3.8240 7.6912 117.7409 64.7444 37.2882 178.5800 159 E 4.0933 8.4624 118.9369 59.2749 28.8693 179.7315 160 G 3.3429 7.9854 105.3016 47.7589 0.0000 175.6570 161 A 4.0571 8.1221 124.0916 54.8688 18.4268 179.6644 162 T 3.1693 8.3782 114.7921 66.6485 68.4067 176.9672 163 G 3.4260 7.8059 107.3775 47.0259 0.0000 175.6874 164 E 3.9619 7.7331 120.4348 58.9125 29.5942 179.4183 165 W 4.2183 8.1058 117.1451 59.2904 28.3566 178.6552 166 S 4.0462 7.3294 114.9726 60.8990 62.4126 176.4193 167 A 3.9349 7.6011 124.7506 54.8234 17.8807 179.6365 168 V 3.5687 7.3009 115.4550 66.3763 31.8293 178.1671 169 V 3.8323 8.1187 117.8113 65.7563 30.9627 176.8889 170 C 4.5921 8.0468 114.4585 60.2425 28.2540 175.6153 171 S 3.9905 7.7989 116.1043 61.1216 62.3922 175.6906 172 T 4.4007 8.0953 111.0760 60.9823 70.1568 175.7508 173 G 4.0102 7.8503 109.2173 45.6152 0.0000 175.4790 174 V 3.5794 7.5132 119.0717 66.1494 31.6984 176.7802 175 Y 4.3886 7.8725 119.0000 60.8781 38.6810 178.0718 176 A 4.2086 8.2600 123.5748 55.8777 18.3809 179.9044 177 E 4.0063 8.1663 115.4927 60.9581 29.7757 180.9234 178 A 4.1414 7.4089 118.6191 53.7207 18.6118 177.5995 179 F 4.6192 7.0121 115.3416 55.6911 40.7721 175.7071 180 A 4.1016 8.6018 128.5453 52.7522 18.9619 178.8577 181 E 3.9432 9.2919 122.0608 59.8640 29.8506 177.0734 182 E 4.1878 8.4095 114.2670 58.3809 29.9638 179.5471 183 T 4.4804 7.6905 106.8058 60.9453 69.8391 175.8772 184 R 3.7198 8.0927 125.7615 60.4071 30.2554 178.1806 185 K 3.9865 8.1657 117.1386 57.5379 31.7940 179.7818 186 K 4.0678 8.0022 119.2984 59.4626 32.1433 177.9422 187 S 4.2276 7.5196 111.8284 59.0183 62.3847 175.0950 *189 K 4.0376 8.1808 123.0951 56.1539 33.4815 177.5758 190 W 4.1114 8.2021 126.4324 60.4605 31.0244 176.9117 191 L 4.0541 7.9249 120.3359 58.3927 41.3867 181.0177 192 K 4.1920 7.3015 118.3879 54.9905 30.6294 180.2962 *194 H 4.4181 8.3168 119.2530 56.3267 30.5303 175.7646 195 A 3.8682 8.1388 124.1565 54.7569 18.4997 178.7266 *196 Q 4.5920 8.4195 115.0998 55.4802 28.6846 177.7838 *197 Y 4.4891 7.6473 119.2543 56.6023 38.6544 178.6585 198 D 4.4826 8.2969 122.1002 52.2075 39.2150 176.1304 199 D 4.6381 8.7662 125.5123 55.3695 41.4032 178.4741 200 A 4.4239 8.3500 121.4971 55.4521 18.2759 178.6199 201 H 4.3290 8.7051 118.1829 59.4672 29.9662 175.2480 202 P 4.3979 0.0000 0.0000 65.4803 31.2014 178.3505 203 W 4.1794 8.3621 119.0739 59.4880 28.3650 178.3360 204 E 4.0014 8.3787 118.2069 59.1396 29.0315 178.8922 205 A 3.1527 7.4803 120.3349 54.8377 18.3727 179.2762 206 L 3.4479 7.8834 119.0382 58.1227 41.9821 178.6165 207 E 4.2893 8.2731 119.1584 59.5921 29.4817 178.9520 208 I 3.6805 7.4957 119.3413 64.3925 37.0793 178.2667 209 I 3.6429 7.5936 120.5298 64.8301 36.9990 178.2932 210 C 4.3476 8.2903 117.5091 63.2450 27.6549 176.3747 211 T 4.3388 8.1334 116.4142 66.5299 68.0584 176.5827 212 L 4.0936 8.0401 120.4383 58.0179 41.8242 179.5955 213 V 3.7438 7.9779 111.2774 62.1941 31.8685 177.1563 214 G 4.0264 8.7716 105.0358 44.5993 0.0000 172.5388 215 N 4.8306 8.7504 115.2674 55.1372 39.2592 176.1868 216 K 4.6798 7.6868 115.8484 54.3250 32.3881 173.9723 217 P 4.3062 0.0000 0.0000 61.7053 32.9311 177.7986 218 S 4.2235 8.1393 114.6560 58.5227 64.7975 175.4317 219 L 4.0304 8.4850 125.2792 58.4967 41.3976 180.5217 220 Q 3.9606 7.9145 120.3869 60.1395 28.1133 181.3253 221 L 4.0959 7.7299 122.5027 57.8433 41.9729 179.0837 222 Q 3.7851 8.0487 117.8338 58.8817 28.6846 178.6410 223 A 3.9660 8.1306 121.8709 55.0637 18.4034 179.2853 224 E 3.8999 8.2548 117.8233 59.3582 29.7014 179.1123 225 L 3.9999 8.0761 119.1246 57.7075 41.6615 179.4208 226 R 3.8978 8.2477 118.8291 59.7027 30.0480 178.6063 227 Q 3.8988 8.5984 117.9693 58.7653 28.7750 178.7078 228 A 4.1670 8.1824 121.8637 55.1712 18.5226 179.9151 229 V 3.3883 7.7903 116.7643 66.3924 31.6570 178.3961 230 T 3.8858 7.9738 115.5804 66.4092 68.2029 176.3803 231 K 3.2287 8.0610 121.8917 59.3973 31.7535 178.8327 232 S 4.2891 7.4726 113.4297 61.9851 62.8970 176.0658 233 Y 4.6492 7.4294 117.7174 61.3657 37.8914 178.1015 234 D 4.7349 8.7454 120.1241 57.4561 40.9380 179.2809 235 Y 4.8795 8.1302 116.5289 58.4884 37.7703 177.6129 *237 Y 4.7403 7.8752 122.4835 57.7773 40.8732 176.9677 238 L 3.8887 8.5590 120.0292 57.6028 41.6013 179.3017 239 F 4.0409 8.4627 120.6489 61.2925 39.3615 177.2409 240 L 3.9755 7.9770 118.1055 57.8800 41.3228 179.2094 241 E 3.8331 8.1054 118.8476 59.1504 29.0452 179.4882 242 R 3.7662 7.7169 118.0704 59.4346 30.2853 178.0156 243 C 4.0725 7.7204 116.5125 62.8772 27.9415 176.0653 244 I 3.7100 7.5888 120.9328 64.3665 37.5477 178.2158 245 Q 4.1641 7.6978 123.7327 60.3950 27.9512 181.3462 246 L 4.3316 7.3883 123.6611 54.7158 40.8942 179.7582 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 3 D 8.21 4.78 0.00 2.86 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 4 T 8.48 4.16 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 5 F 9.01 4.79 0.00 3.06 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.48 4.04 0.00 1.96 1.65 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 2.12 1.84 0.00 7 R 7.84 3.61 0.00 1.63 1.71 0.00 3.03 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 0.00 8 T 8.30 4.17 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 9 G 7.79 3.89 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 0.00 0.00 0.00 10 P 0.00 4.24 0.00 2.05 1.98 0.00 3.69 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 11 L 8.33 3.92 0.00 1.62 1.70 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *13 E 8.23 3.75 0.00 1.89 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 0.00 2.13 2.15 0.00 14 A 8.85 4.49 1.51 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 15 S 8.08 4.40 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.15 4.21 0.00 3.47 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.34 4.42 0.00 3.01 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 18 P 0.00 4.34 0.00 1.57 2.14 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 19 A 8.62 3.96 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 20 W 8.06 4.14 0.00 3.81 3.38 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 21 A 6.00 3.04 0.21 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 22 Q 7.70 3.86 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 23 Q 8.21 3.97 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 L 8.05 3.99 0.00 1.99 1.81 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.86 3.77 2.03 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 1.52 0.94 0.97 0.00 0.00 26 N 8.00 4.38 0.00 2.88 2.90 0.00 0.00 7.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.34 4.52 0.00 2.82 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 28 C 8.21 4.60 0.00 3.20 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 29 S 7.85 4.10 0.00 3.99 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 0.00 30 P 0.00 4.15 0.00 2.24 2.32 0.00 3.74 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 2.07 2.03 0.00 31 A 7.90 3.92 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.73 3.02 0.00 0.83 1.59 0.00 1.46 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 0.73 7.81 33 A 8.04 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.62 3.89 0.00 1.80 1.58 0.00 2.21 0.00 0.00 2.68 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 35 V 7.38 4.02 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 1.27 0.00 0.00 1.24 0.00 0.00 36 V 7.82 3.78 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 0.92 0.00 0.00 0.99 0.00 0.00 37 E 8.54 4.55 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 38 H 8.12 4.29 0.00 3.67 3.16 0.00 5.61 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 39 E 8.57 3.88 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.43 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.13 4.08 1.89 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 1.44 0.96 1.01 0.00 0.00 60 G 8.44 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 61 G 8.76 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 8.05 3.88 0.00 3.44 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 63 P 0.00 3.86 0.00 2.12 1.98 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 64 V 7.49 3.81 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 1.25 0.00 0.00 1.00 0.00 0.00 65 V 6.66 3.40 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 0.87 0.00 0.00 -0.08 0.00 0.00 66 E 7.36 3.39 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.50 0.00 3.28 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 0.00 112 C 8.15 3.83 0.00 3.10 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 0.00 113 A 8.08 3.95 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 0.00 114 A 7.73 4.19 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 0.00 115 H 7.85 4.77 0.00 3.17 3.25 0.00 5.81 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.73 4.27 0.00 2.83 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 0.00 117 V 7.66 4.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.87 0.00 0.00 118 T 8.72 4.25 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 1.18 0.00 0.00 119 L 8.17 3.66 0.00 1.62 1.59 0.60 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.03 3.96 0.00 2.11 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 2.40 1.98 0.00 121 D 7.90 4.32 0.00 2.84 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 0.00 122 L 7.24 3.88 0.00 1.03 0.40 -0.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 123 H 7.93 4.55 0.00 3.30 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.39 4.42 0.00 2.77 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 0.00 125 Q 7.87 3.33 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.57 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 126 R 7.60 4.30 0.00 1.79 1.89 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 127 V 6.97 4.43 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 0.75 0.00 0.00 0.99 0.00 0.00 128 A 8.18 4.01 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 0.00 129 P 0.00 4.15 0.00 2.13 2.11 0.00 3.58 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 2.15 0.00 130 E 8.28 3.86 0.00 1.95 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 2.36 2.45 0.00 131 L 7.74 4.21 0.00 1.62 1.75 0.59 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.28 4.66 0.00 3.29 3.13 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.58 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.95 4.25 0.00 1.92 1.75 1.26 0.94 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 0.00 135 S 7.99 4.35 0.00 4.22 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 0.00 136 H 8.06 4.40 0.00 3.45 3.46 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.61 4.52 0.00 3.73 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 8.25 3.29 0.00 2.38 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 0.00 139 W 8.27 3.95 0.00 3.72 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.36 4.02 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 141 T 7.71 3.73 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 0.29 0.00 0.00 142 S 7.28 4.17 0.00 4.01 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 0.00 143 S 7.36 4.09 0.00 3.95 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 0.00 144 S 8.04 4.58 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.11 4.69 0.00 2.72 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 0.00 146 S 8.22 4.15 0.00 3.99 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 0.00 147 L 8.50 3.81 0.00 1.59 1.72 0.95 1.01 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 0.00 148 A 7.78 4.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 7.40 3.70 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.91 0.00 0.00 150 A 8.20 4.01 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 *152 A 8.02 4.23 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 0.00 153 A 8.13 4.06 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 0.00 154 T 7.27 4.44 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 0.88 0.00 0.00 155 N 8.06 4.82 0.00 2.77 3.22 0.00 0.00 6.80 7.46 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 0.00 156 Y 7.91 4.24 0.00 2.91 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 0.00 157 A 8.37 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 7.69 3.82 2.20 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 2.00 1.28 1.02 0.00 0.00 159 E 8.46 4.09 0.00 2.48 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 0.00 2.41 2.57 0.00 160 G 7.99 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 0.00 0.00 0.00 161 A 8.12 4.06 1.62 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 0.00 0.00 162 T 8.38 3.17 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 1.00 0.00 0.00 163 G 7.81 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 0.00 164 E 7.73 3.96 0.00 2.19 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 2.31 2.27 0.00 165 W 8.11 4.22 0.00 2.51 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 0.00 166 S 7.33 4.05 0.00 3.75 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 0.00 167 A 7.60 3.93 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 0.00 168 V 7.30 3.57 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.06 0.00 0.00 169 V 8.12 3.83 2.43 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 1.07 0.00 0.00 1.39 0.00 0.00 170 C 8.05 4.59 0.00 3.04 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 0.00 171 S 7.80 3.99 0.00 4.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.10 4.40 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 1.25 0.00 0.00 173 G 7.85 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 0.00 174 V 7.51 3.58 2.32 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 0.89 0.00 0.00 0.97 0.00 0.00 175 Y 7.87 4.39 0.00 3.29 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 A 8.26 4.21 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 0.00 177 E 8.17 4.01 0.00 2.10 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 2.26 2.20 0.00 178 A 7.41 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 F 7.01 4.62 0.00 3.10 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 0.00 180 A 8.60 4.10 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 0.00 181 E 9.29 3.94 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 182 E 8.41 4.19 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 183 T 7.69 4.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 184 R 8.09 3.72 0.00 2.10 1.99 0.00 3.29 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 185 K 8.17 3.99 0.00 1.81 1.73 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.01 7.81 186 K 8.00 4.07 0.00 1.67 1.92 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 187 S 7.52 4.23 0.00 3.45 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 *189 K 8.18 4.04 0.00 1.72 1.49 0.00 1.24 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.24 7.81 190 W 8.20 4.11 0.00 3.54 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.92 4.05 0.00 1.52 1.60 0.76 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 192 K 7.30 4.19 0.00 1.80 1.78 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.29 7.81 *194 H 8.32 4.42 0.00 2.49 2.85 0.00 5.77 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 0.00 195 A 8.14 3.87 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 *196 Q 8.42 4.59 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 *197 Y 7.65 4.49 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 D 8.30 4.48 0.00 2.60 2.61 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 0.00 199 D 8.77 4.64 0.00 2.76 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 A 8.35 4.42 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 0.00 201 H 8.71 4.33 0.00 3.57 3.45 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 P 0.00 4.40 0.00 2.07 2.21 0.00 3.98 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 203 W 8.36 4.18 0.00 3.74 3.48 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 0.00 0.00 0.00 0.00 204 E 8.38 4.00 0.00 2.27 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 2.57 2.76 0.00 205 A 7.48 3.15 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 L 7.88 3.45 0.00 1.27 1.46 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 207 E 8.27 4.29 0.00 2.50 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 208 I 7.50 3.68 1.72 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.34 0.86 0.00 0.00 209 I 7.59 3.64 1.86 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 1.58 0.67 0.97 0.00 0.00 210 C 8.29 4.35 0.00 2.84 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 T 8.13 4.34 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 1.34 0.00 0.00 212 L 8.04 4.09 0.00 1.81 1.67 0.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 213 V 7.98 3.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.03 0.00 0.00 214 G 8.77 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 0.00 0.00 0.00 215 N 8.75 4.83 0.00 2.85 3.04 0.00 0.00 6.80 8.33 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 0.00 216 K 7.69 4.68 0.00 1.96 1.71 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 0.95 7.81 217 P 0.00 4.31 0.00 1.63 1.50 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 0.00 218 S 8.14 4.22 0.00 4.00 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 0.00 219 L 8.49 4.03 0.00 1.68 1.74 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 220 Q 7.91 3.96 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 221 L 7.73 4.10 0.00 1.66 1.66 0.81 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 222 Q 8.05 3.79 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 223 A 8.13 3.97 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 0.00 224 E 8.25 3.90 0.00 2.19 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 2.33 2.37 0.00 225 L 8.08 4.00 0.00 1.92 1.77 0.70 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 226 R 8.25 3.90 0.00 1.91 2.11 0.00 3.12 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 227 Q 8.60 3.90 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 228 A 8.18 4.17 1.61 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 0.00 0.00 229 V 7.79 3.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 230 T 7.97 3.89 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 1.20 0.00 0.00 231 K 8.06 3.23 0.00 1.25 0.89 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.34 7.81 232 S 7.47 4.29 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 Y 7.43 4.65 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 D 8.75 4.73 0.00 2.75 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 0.00 235 Y 8.13 4.88 0.00 3.07 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 *237 Y 7.88 4.74 0.00 3.14 3.29 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 0.00 238 L 8.56 3.89 0.00 1.99 1.76 1.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 239 F 8.46 4.04 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 0.00 240 L 7.98 3.98 0.00 1.57 1.05 0.95 0.70 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 0.00 241 E 8.11 3.83 0.00 1.78 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 0.00 1.47 1.70 0.00 242 R 7.72 3.77 0.00 1.78 1.85 0.00 3.21 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 243 C 7.72 4.07 0.00 3.02 2.84 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 I 7.59 3.71 1.95 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 1.33 0.68 0.91 0.00 0.00 245 Q 7.70 4.16 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 246 L 7.39 4.33 0.00 1.63 1.48 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.