NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7141 8.4449 117.8227 56.0103 29.9652 172.4972 0 H 4.7374 8.2807 130.6098 55.6919 29.1075 171.5113 2 E 4.8848 8.1128 118.5028 56.6206 35.4322 174.4919 3 L 5.0536 9.1752 126.4907 53.2370 44.3614 175.4759 4 K 4.6040 9.0988 126.4110 54.7555 35.8249 174.9759 5 I 4.4967 8.4431 128.2559 60.4736 36.9037 175.5457 6 L 4.2776 8.9088 129.2045 57.0375 42.4791 178.3810 7 V 4.6294 7.6594 118.2873 61.3673 35.0469 174.0358 8 T 4.6529 8.7569 118.4921 60.5562 70.0709 175.0733 9 G 3.5022 8.9094 114.2892 46.3701 0.0000 172.0163 10 G 4.0041 6.4578 104.2237 45.6385 0.0000 171.6141 11 N 5.4732 8.7841 116.4285 51.5633 42.7096 174.6851 12 V 4.4385 8.5045 121.8071 61.4923 34.7921 173.9757 13 F 5.3227 8.7301 130.5803 57.1137 42.4058 173.3707 14 V 3.9006 8.5020 126.7880 59.9884 34.0463 173.0612 15 P 3.9962 0.0000 0.0000 64.3914 31.4286 176.7523 16 G 4.0180 9.4326 110.3519 45.8918 0.0000 173.6555 17 R 4.5127 7.6261 115.2051 56.8434 35.0601 175.4252 18 L 4.4197 8.0651 119.8725 53.9598 45.8579 174.0757 19 N 5.2753 8.9953 124.4629 51.2842 40.8641 173.2771 20 A 4.9052 9.0779 132.1275 51.2154 19.3306 175.7396 21 H 4.5919 7.9522 115.8433 58.1292 29.9563 175.8908 22 F 5.1356 8.6182 116.1571 55.6851 41.2091 174.0382 23 S 4.6908 8.9236 118.2575 57.4448 64.8285 173.6835 24 T 4.2578 8.2480 118.3570 64.5177 69.1843 173.7789 25 V 4.8298 8.9269 124.5971 60.2224 34.4640 174.1478 26 V 4.6288 8.5361 128.0743 61.2410 33.9436 173.4659 27 Y 5.1559 9.0935 129.0614 55.7775 41.5581 174.1711 28 L 4.9664 8.2194 125.5744 52.7906 45.5962 175.0747 29 E 4.7882 8.3682 122.3516 54.6677 32.5158 175.0359 30 H 4.9289 8.6515 123.6577 55.7607 34.0034 173.3226 31 K 3.7831 8.0118 127.2446 57.9820 31.2177 175.3668 32 D 4.7000 8.7757 126.2143 53.9620 39.6049 175.7160 33 R 4.3029 8.0635 120.3415 55.2295 31.4421 175.5079 34 R 4.3492 8.6801 120.9733 54.5281 33.1926 174.4345 35 I 4.6368 8.1012 125.5686 59.1743 40.4190 174.9042 36 I 4.8663 8.3514 127.0493 59.4508 40.4377 174.4515 37 I 4.3623 8.4775 127.5699 60.3862 39.3893 173.4233 38 D 5.0145 9.3372 129.5361 53.8429 37.7721 172.5939 39 P 4.4510 0.0000 0.0000 64.0294 32.2968 178.0917 40 G 3.9133 8.6376 106.3364 44.2749 0.0000 171.5711 41 N 5.3954 8.4620 115.7584 51.1274 41.7834 175.9746 42 L 3.9736 8.2956 123.7719 58.1513 41.9995 178.5525 43 S 4.1446 7.8618 111.2446 60.1991 63.2832 174.9169 44 S 4.2828 7.7962 119.3156 57.2640 61.5319 173.8303 *46 D 4.5052 8.1498 123.9912 54.0799 43.1993 177.8738 47 E 3.9507 8.0900 118.7676 59.2401 29.6853 178.6697 48 L 4.1236 8.2199 119.3039 57.6608 41.6948 178.7898 49 E 3.8643 8.2360 118.8457 59.4637 29.3890 178.4002 50 E 3.9493 8.0747 118.6968 59.3604 29.6506 179.0037 51 K 3.9789 8.2789 118.4515 59.5077 32.1260 179.3937 52 F 3.7607 8.9683 118.5523 60.4182 38.9148 177.7132 53 S 4.0939 8.2995 112.7414 61.4635 62.0302 175.9058 54 E 3.9690 8.1076 120.0886 59.5847 29.3499 179.1520 55 L 4.1181 7.9725 117.0992 55.1379 41.6635 177.7699 56 G 3.8755 7.7014 106.4212 46.1525 0.0000 173.1597 57 I 4.7120 7.5482 111.7371 58.5112 40.5895 174.3693 58 S 5.0886 8.9508 115.3323 55.5903 65.7517 173.3834 59 P 4.8767 0.0000 0.0000 66.0387 31.1288 178.6589 60 D 4.5783 8.3201 117.0721 56.7685 40.7373 176.9132 61 D 4.6404 7.9404 117.3708 54.8598 41.3920 176.7195 62 I 4.0025 7.6674 121.5072 61.4435 37.5350 175.6951 63 T 4.3666 8.7462 115.9085 62.8851 70.9165 174.6042 64 D 5.1165 7.5263 120.8032 52.4891 45.7143 174.6426 65 V 4.4881 8.6992 122.5922 61.0108 34.6405 173.9982 66 L 4.9189 8.5304 127.8700 52.8153 44.6368 175.2832 67 F 5.6358 8.3392 121.3557 55.9561 40.7548 175.9318 68 T 4.1712 10.0849 114.7092 64.2795 68.7456 173.5740 69 H 4.8248 7.7480 114.0322 55.1233 30.9263 174.4996 70 V 4.0691 8.7815 121.2475 61.5410 29.6758 173.8898 71 H 5.6482 7.4915 118.4774 52.1310 32.6359 174.7648 72 L 3.6766 8.7530 125.4343 58.0874 42.1972 178.4807 73 D 4.6685 8.2372 116.7686 55.3119 39.9670 177.1127 74 H 4.8190 8.9230 118.9434 55.6075 29.6872 175.9584 75 I 4.4460 7.4482 112.4358 60.7205 38.8529 177.0993 76 F 3.8530 8.1806 123.4696 61.6227 39.1887 176.3292 77 N 4.6061 8.7267 114.6148 54.5606 38.4074 176.9199 78 S 4.6970 8.4326 117.0925 61.9166 62.6268 176.8380 79 V 3.6834 7.2672 114.2884 63.6269 31.2099 177.8491 80 L 4.0798 7.4610 118.1328 55.4187 42.5281 177.1246 81 F 4.9567 7.5682 118.5284 55.9482 38.0415 175.8526 82 E 4.3658 8.6044 124.2526 57.9998 29.8749 177.5426 83 N 4.8032 8.1871 113.6065 52.7806 39.4320 174.4007 84 A 4.3788 7.2978 119.3299 51.4720 20.0564 177.3215 85 T 4.3131 8.4427 117.1916 62.6689 70.3419 173.9807 86 F 4.9681 8.9737 125.1624 55.8991 41.6834 174.2762 87 Y 5.2648 8.6409 121.0564 56.2589 40.8848 175.1334 88 V 4.9139 8.4287 121.3689 60.6570 35.4780 172.8579 89 H 4.7051 9.0215 122.8936 55.9245 30.7489 176.0286 90 E 4.1991 9.0245 125.8697 59.8129 29.1634 179.4450 91 V 3.9802 8.1127 111.5259 62.7330 31.8647 177.3736 92 Y 4.3933 8.4115 118.7974 60.0629 37.5334 178.3463 93 K 3.6308 7.3888 118.8200 58.2568 32.1458 178.2475 94 T 4.1535 7.6279 108.5991 61.3553 69.6048 174.6694 95 K 4.0466 7.2218 121.6965 55.2691 33.4618 176.3616 96 N 4.5767 8.0060 121.7191 52.2500 38.1332 174.9498 97 Y 4.2101 8.2531 124.3979 60.5669 38.3667 178.5661 98 L 4.2440 7.7276 118.1782 56.9655 41.5269 178.0463 99 S 4.3985 7.9391 112.2431 59.2592 63.4138 175.6432 100 F 4.1990 7.9380 119.4909 58.1327 38.7284 174.5539 101 G 4.2932 7.8844 108.4806 43.8949 0.0000 175.2400 102 T 3.8867 8.9610 119.0781 67.0117 68.8870 176.8002 103 I 3.7665 7.8477 121.2315 64.4878 37.3385 178.5101 104 V 3.7783 7.9211 118.6502 66.0662 31.3590 178.0466 105 G 3.8567 8.5808 105.7097 48.0462 0.0000 175.8580 106 R 3.9850 7.9449 120.4261 58.9851 30.0002 179.3081 107 I 3.6962 7.6961 119.3125 64.5340 37.0439 177.8353 108 Y 3.7331 8.0277 117.5709 61.1963 37.6665 178.9043 109 S 4.0322 8.3878 113.9219 61.3752 62.2696 176.3911 110 K 3.8433 7.8897 120.0635 59.2059 32.0384 179.2707 111 V 3.3770 7.6368 118.5039 66.0037 31.5121 178.1790 112 I 2.0000 7.2667 119.6994 63.6754 36.5867 178.6433 113 S 4.0891 7.6379 114.9944 60.8797 62.6493 176.2124 114 S 4.5170 7.1953 115.6575 58.8615 63.2658 174.4409 115 W 4.4086 7.1970 122.5021 56.3347 27.7127 175.8823 116 K 4.2474 8.8875 124.0502 57.8693 32.3507 177.1855 117 N 5.0799 8.3871 116.3898 51.3873 41.1726 173.9148 118 V 4.8895 8.5083 123.4001 60.9430 34.9711 174.5102 119 V 4.2607 8.7022 127.6908 61.0769 33.4967 174.1818 120 L 5.0400 8.5706 128.1555 54.0681 42.6815 176.2528 121 L 4.8664 9.0465 123.9361 53.3798 44.0624 177.3113 122 K 4.0897 9.8728 119.3654 55.6814 34.0540 177.9558 123 G 3.8879 8.1168 105.3050 46.8344 0.0000 173.9317 124 E 3.8613 8.7477 120.0705 55.7817 28.5360 175.1582 125 E 4.2159 7.7607 118.9864 56.3535 30.9544 175.8116 126 S 5.0798 8.4987 117.4632 56.7355 64.9828 173.2980 127 L 4.2834 9.1283 124.9970 52.1096 45.0690 175.8908 128 F 3.8834 7.9052 116.1709 59.7529 35.9760 175.4822 129 D 4.1199 8.5977 113.2858 55.6934 38.7260 174.9058 130 E 3.8207 8.2874 112.6747 57.2156 27.2423 176.1157 131 K 4.1014 7.8641 120.6695 57.6919 32.6731 176.4841 132 V 4.7500 7.9180 119.1927 60.8924 34.2314 174.0762 133 K 4.7419 9.3181 130.4229 54.8322 34.2227 174.9053 134 V 4.5301 8.5010 128.0179 61.4405 33.4795 174.3270 135 F 5.1712 8.7278 126.3680 55.7618 42.2448 173.8362 136 H 4.6082 8.9801 124.1517 55.6684 30.0227 175.3941 137 T 3.0427 8.0210 117.8685 58.1095 67.1436 172.8248 138 P 4.3851 0.0000 0.0000 63.3832 32.0612 178.0914 139 W 4.9030 6.6794 114.6036 55.5458 29.6832 174.8206 140 H 4.6246 7.7476 127.8452 56.7174 32.2454 173.8219 141 A 4.6979 6.9461 120.3337 50.3508 21.8902 176.9917 142 R 3.8886 8.6936 117.6288 58.8053 29.5117 177.3812 143 E 4.3739 8.0457 113.8967 56.1330 30.2346 175.2913 144 H 4.5579 8.1964 121.5135 56.5738 30.9018 174.0686 145 L 5.1237 8.8254 124.9012 52.9659 45.4725 175.6279 146 S 4.9216 8.5969 117.3517 56.7121 66.9375 173.0595 147 F 5.3666 8.9677 120.3289 55.7615 42.5846 173.6183 148 L 5.2253 9.3141 126.3270 53.4659 44.1400 174.8441 149 L 5.1367 9.0594 126.4079 53.1137 44.8902 175.3198 150 D 5.0981 8.9546 124.6474 53.1814 40.9876 175.1845 151 T 4.5499 8.5698 115.8245 59.5980 71.2631 175.6647 152 E 3.8928 8.8263 124.5335 59.0003 29.9404 177.5798 153 N 4.5325 8.0180 113.7110 53.7662 38.1409 175.2351 154 A 4.5940 7.7223 119.2388 50.7086 20.9551 177.9177 155 G 3.5561 7.5031 105.0501 47.0340 0.0000 174.6892 156 R 4.7091 9.7189 126.5578 55.5132 31.1930 175.8480 157 V 4.7799 8.6772 127.2164 60.9348 34.5937 173.7903 158 L 4.9795 8.8264 130.6255 53.6135 43.9288 175.4710 159 I 4.6595 8.9981 129.5619 60.8421 37.2356 176.8509 160 T 3.9038 8.8754 119.9491 62.9651 70.0683 176.4438 161 G 4.0591 8.1651 110.5983 44.9451 0.0000 173.3638 162 D 4.7804 8.8620 119.7709 54.7167 40.8409 177.5352 163 I 3.8842 7.5944 114.2134 63.4157 37.6865 176.2391 164 T 4.5944 7.6006 110.6559 58.9223 69.1007 171.5601 165 P 4.4470 0.0000 0.0000 65.7605 32.0044 176.1137 166 N 4.5536 7.5586 115.2248 50.5527 41.5414 175.3348 167 R 2.9432 8.2698 118.9546 59.0200 29.8314 179.3333 168 L 4.1853 7.6924 118.5117 57.8539 41.6744 179.6031 169 S 4.1051 8.2809 114.2319 61.3997 62.9326 176.0057 170 Y 4.0875 7.5380 122.8627 60.7754 38.5298 177.4676 171 Y 4.1738 8.0755 118.0378 61.2073 37.9628 178.4053 172 D 3.8060 8.2920 119.8915 57.1037 40.8968 178.8210 173 I 3.5108 7.3406 119.7000 64.5196 36.9233 178.4181 174 I 3.5318 7.0292 118.9226 64.2989 37.0194 178.2110 175 K 4.0808 7.8312 117.3596 57.3046 31.9383 178.0609 176 G 3.9191 7.8343 108.0105 45.2581 0.0000 173.3711 177 Y 4.7141 7.0290 114.8186 56.3169 38.5410 176.0621 178 G 3.9629 7.5007 109.9534 44.3873 0.0000 173.5113 179 S 3.9991 8.5207 112.9197 58.8371 63.1019 175.7012 180 V 3.4990 8.3065 128.3348 66.0575 31.3835 178.0068 181 Q 3.4494 7.5288 117.4162 58.6035 28.3365 178.7331 182 V 3.3485 7.0784 118.7638 65.5341 31.5628 177.8326 183 K 3.8129 7.9657 119.4535 59.7907 32.0465 178.4498 184 N 4.2723 8.1905 116.7442 56.0853 38.3981 177.1799 185 F 4.2393 8.1867 122.0467 61.4236 39.5605 177.1501 186 L 3.6044 8.1631 118.8612 57.8194 41.1451 179.2838 187 D 4.2899 7.9100 117.9705 57.2317 40.7785 178.5447 188 R 3.9501 7.5503 118.3575 59.3381 30.1782 178.4185 189 V 3.4481 7.0552 117.0458 66.1108 31.9723 177.1619 190 G 3.7460 8.0328 106.0594 45.1086 0.0000 172.6364 191 R 4.0238 8.4675 122.6208 56.1757 30.6602 176.5391 192 I 4.7389 7.8870 117.2662 59.3126 40.8147 174.5331 193 D 4.6437 8.9483 121.0937 56.1155 41.8947 177.0746 194 L 4.5346 7.5602 119.6076 53.7813 45.8684 173.9040 195 L 4.5674 8.9089 126.9877 53.1987 43.6597 175.6381 196 V 4.1420 8.4685 125.3948 61.0874 32.6975 174.9283 197 F 5.1125 8.3209 126.6183 55.7440 39.6946 174.5054 198 P 4.4512 0.0000 0.0000 64.7630 32.7109 176.2701 199 H 5.1441 8.0011 117.7910 54.8108 29.6067 172.5184 200 D 4.4293 8.0342 114.7724 53.1803 43.9818 174.3292 201 A 4.2413 8.4249 125.1357 51.2301 18.8923 175.6311 202 P 4.6479 0.0000 0.0000 62.6929 32.8977 175.2470 203 L 4.7776 8.4614 121.4639 53.0316 45.8413 175.0742 204 K 4.6931 8.7508 127.6560 55.1911 32.4642 174.8817 205 P 4.5244 0.0000 0.0000 62.8137 31.9523 176.1386 206 E 4.2100 8.8050 117.9563 56.9002 29.4727 176.8806 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 H 8.44 4.71 0.00 3.13 3.26 0.00 5.85 0.00 0.00 0.00 0.00 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 H 8.28 4.74 0.00 3.21 3.10 0.00 5.75 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.11 4.88 0.00 1.80 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 2.12 2.29 0.00 3 L 9.18 5.05 0.00 1.53 1.61 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.10 4.60 0.00 1.87 1.73 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 5 I 8.44 4.50 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.94 0.00 0.00 6 L 8.91 4.28 0.00 1.62 1.80 0.93 0.94 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 7 V 7.66 4.63 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 1.43 0.00 0.00 1.05 0.00 0.00 8 T 8.76 4.65 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 1.26 0.00 0.00 9 G 8.91 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 6.46 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 0.00 0.00 0.00 11 N 8.78 5.47 0.00 2.66 2.85 0.00 0.00 6.44 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.50 4.44 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 0.93 0.00 0.00 1.20 0.00 0.00 13 F 8.73 5.32 0.00 2.83 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 14 V 8.50 3.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.84 0.00 0.00 15 P 0.00 4.00 0.00 1.96 2.00 0.00 3.46 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 16 G 9.43 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 0.00 0.00 0.00 17 R 7.63 4.51 0.00 1.66 1.85 0.00 3.36 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 18 L 8.07 4.42 0.00 1.70 1.40 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.00 5.28 0.00 2.87 2.75 0.00 0.00 6.92 7.96 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 20 A 9.08 4.91 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 21 H 7.95 4.59 0.00 3.26 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.62 5.14 0.00 3.07 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 23 S 8.92 4.69 0.00 3.68 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 24 T 8.25 4.26 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 1.33 0.00 0.00 25 V 8.93 4.83 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 1.54 0.00 0.00 1.18 0.00 0.00 26 V 8.54 4.63 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 0.89 0.00 0.00 0.93 0.00 0.00 27 Y 9.09 5.16 0.00 2.92 2.82 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 28 L 8.22 4.97 0.00 1.07 1.13 0.62 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.37 4.79 0.00 1.76 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 0.00 1.93 1.85 0.00 30 H 8.65 4.93 0.00 3.02 2.92 0.00 5.93 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.01 3.78 0.00 1.71 0.75 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.43 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 83 N 8.19 4.80 0.00 2.73 2.84 0.00 0.00 6.88 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 84 A 7.30 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.44 4.31 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 0.72 0.00 0.00 86 F 8.97 4.97 0.00 2.68 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.64 5.26 0.00 2.70 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 88 V 8.43 4.91 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 0.74 0.00 0.00 0.83 0.00 0.00 89 H 9.02 4.71 0.00 3.25 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.02 4.20 0.00 2.24 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 2.25 2.38 0.00 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0.00 0.00 0.00 0.00 0.00 1.75 0.85 0.91 0.00 0.00 108 Y 8.03 3.73 0.00 3.21 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 0.00 109 S 8.39 4.03 0.00 3.93 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 0.00 110 K 7.89 3.84 0.00 1.82 1.76 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 111 V 7.64 3.38 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 0.77 0.00 0.00 0.61 0.00 0.00 112 I 7.27 2.00 1.47 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.14 0.59 0.00 0.00 113 S 7.64 4.09 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.20 4.52 0.00 3.98 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 0.00 115 W 7.20 4.41 0.00 3.33 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 0.00 116 K 8.89 4.25 0.00 1.87 1.95 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.47 7.81 117 N 8.39 5.08 0.00 2.72 2.70 0.00 0.00 6.55 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.51 4.89 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 0.99 0.00 0.00 1.27 0.00 0.00 119 V 8.70 4.26 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 0.90 0.00 0.00 0.56 0.00 0.00 120 L 8.57 5.04 0.00 1.61 1.66 1.00 1.31 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 0.00 121 L 9.05 4.87 0.00 1.61 1.73 1.11 0.70 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 0.00 122 K 9.87 4.09 0.00 1.64 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.30 7.81 123 G 8.12 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 0.00 124 E 8.75 3.86 0.00 2.09 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 0.00 2.24 2.44 0.00 125 E 7.76 4.22 0.00 1.91 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 2.37 2.34 0.00 126 S 8.50 5.08 0.00 3.77 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 9.13 4.28 0.00 1.23 0.52 0.63 0.33 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 0.00 128 F 7.91 3.88 0.00 3.09 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 0.00 129 D 8.60 4.12 0.00 2.85 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 0.00 130 E 8.29 3.82 0.00 2.11 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 2.18 2.24 0.00 131 K 7.86 4.10 0.00 1.79 1.75 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.16 7.81 132 V 7.92 4.75 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 1.02 0.00 0.00 0.93 0.00 0.00 133 K 9.32 4.74 0.00 1.78 1.61 0.00 1.42 0.00 0.00 1.40 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.33 7.81 134 V 8.50 4.53 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 0.79 0.00 0.00 1.09 0.00 0.00 135 F 8.73 5.17 0.00 2.93 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 0.00 136 H 8.98 4.61 0.00 3.10 3.13 0.00 5.69 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 0.00 137 T 8.02 3.04 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 138 P 0.00 4.39 0.00 1.87 1.79 0.00 2.20 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 139 W 6.68 4.90 0.00 3.47 3.03 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 0.00 140 H 7.75 4.62 0.00 3.00 3.11 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 6.95 4.70 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 0.00 142 R 8.69 3.89 0.00 1.92 2.07 0.00 3.04 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 143 E 8.05 4.37 0.00 2.30 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 2.37 2.45 0.00 144 H 8.20 4.56 0.00 3.29 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.83 5.12 0.00 1.18 0.80 1.04 0.66 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 0.00 146 S 8.60 4.92 0.00 3.81 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 0.00 147 F 8.97 5.37 0.00 2.99 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 0.00 148 L 9.31 5.23 0.00 2.15 1.78 1.03 0.57 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 0.00 149 L 9.06 5.14 0.00 1.55 1.47 0.87 0.62 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 0.00 150 D 8.95 5.10 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.57 4.55 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 1.16 0.00 0.00 152 E 8.83 3.89 0.00 1.80 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 2.16 2.24 0.00 153 N 8.02 4.53 0.00 2.84 3.04 0.00 0.00 5.73 7.26 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 0.00 154 A 7.72 4.59 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 0.00 155 G 7.50 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 0.00 0.00 0.00 156 R 9.72 4.71 0.00 1.86 1.89 0.00 3.03 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 157 V 8.68 4.78 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 0.96 0.00 0.00 0.96 0.00 0.00 158 L 8.83 4.98 0.00 1.75 1.45 1.12 0.84 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 0.00 159 I 9.00 4.66 2.17 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 1.39 1.04 1.07 0.00 0.00 160 T 8.88 3.90 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 1.20 0.00 0.00 161 G 8.17 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.86 4.78 0.00 2.30 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 0.00 0.00 0.00 0.00 163 I 7.59 3.88 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.69 0.93 0.00 0.00 164 T 7.60 4.59 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 165 P 0.00 4.45 0.00 2.25 2.40 0.00 3.71 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 2.05 1.96 0.00 166 N 7.56 4.55 0.00 2.97 2.83 0.00 0.00 6.84 8.10 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 0.00 167 R 8.27 2.94 0.00 1.69 1.42 0.00 3.28 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 168 L 7.69 4.19 0.00 1.82 1.77 0.98 1.04 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 0.00 169 S 8.28 4.11 0.00 4.05 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 0.00 170 Y 7.54 4.09 0.00 3.01 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 0.00 171 Y 8.08 4.17 0.00 3.09 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 0.00 172 D 8.29 3.81 0.00 2.80 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 0.00 173 I 7.34 3.51 1.89 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 1.51 0.58 0.79 0.00 0.00 174 I 7.03 3.53 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 -0.18 0.80 0.00 0.00 175 K 7.83 4.08 0.00 1.12 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.52 7.81 176 G 7.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 7.03 4.71 0.00 2.94 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 0.00 178 G 7.50 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 0.00 0.00 0.00 179 S 8.52 4.00 0.00 3.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.31 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 1.01 0.00 0.00 0.88 0.00 0.00 181 Q 7.53 3.45 0.00 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 182 V 7.08 3.35 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 1.22 0.00 0.00 0.94 0.00 0.00 183 K 7.97 3.81 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 184 N 8.19 4.27 0.00 2.77 2.81 0.00 0.00 6.72 8.68 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 0.00 185 F 8.19 4.24 0.00 3.20 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 0.00 186 L 8.16 3.60 0.00 1.82 1.68 1.14 1.10 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 0.00 187 D 7.91 4.29 0.00 2.77 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 0.00 188 R 7.55 3.95 0.00 1.87 1.96 0.00 3.39 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 189 V 7.06 3.45 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 0.70 0.00 0.00 -0.17 0.00 0.00 190 G 8.03 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 0.00 191 R 8.47 4.02 0.00 1.77 1.84 0.00 3.18 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 192 I 7.89 4.74 2.00 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 1.35 0.77 0.91 0.00 0.00 193 D 8.95 4.64 0.00 2.71 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 0.00 194 L 7.56 4.53 0.00 1.66 1.37 0.88 0.59 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 0.00 195 L 8.91 4.57 0.00 1.00 0.47 0.05 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.47 4.14 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 0.94 0.00 0.00 0.83 0.00 0.00 197 F 8.32 5.11 0.00 2.99 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 0.00 198 P 0.00 4.45 0.00 2.05 2.44 0.00 4.02 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 2.21 2.28 0.00 199 H 8.00 5.14 0.00 3.13 3.18 0.00 5.69 0.00 0.00 0.00 0.00 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 D 8.03 4.43 0.00 2.52 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 0.00 201 A 8.42 4.24 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 0.00 202 P 0.00 4.65 0.00 2.00 1.99 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 203 L 8.46 4.78 0.00 1.90 1.42 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 204 K 8.75 4.69 0.00 1.78 1.74 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.51 7.81 205 P 0.00 4.52 0.00 2.28 2.06 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 206 E 8.81 4.21 0.00 2.04 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 2.38 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.