NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2437 8.3449 121.7110 56.0631 30.2169 173.3800 4 R 4.5763 8.1389 115.1762 54.8383 32.2755 174.1350 5 I 4.7994 8.7667 123.6898 59.3901 41.1000 174.3496 6 G 4.3210 9.1965 113.9249 44.2876 0.0000 172.0123 7 V 4.9818 8.8364 124.5491 60.9556 34.8498 174.0500 8 I 4.8783 8.7117 128.3501 59.9110 39.9875 174.5600 9 D 5.0823 8.7180 128.1294 52.5904 44.3422 174.9022 *11 G 4.1864 8.3605 103.8087 46.6464 0.0000 173.5721 12 T 4.1812 8.6022 116.1571 66.6786 69.1361 176.3533 13 N 4.5860 8.4672 117.5655 54.9930 40.7063 175.4191 14 T 5.0726 7.8713 114.3657 61.7301 72.2603 172.9978 15 F 5.4306 9.3849 124.9784 56.7543 41.3317 174.6197 16 H 5.4840 9.3942 118.9499 53.9398 32.7408 172.3975 17 L 4.7940 8.6850 123.4734 53.0174 44.8899 174.6839 18 L 5.0482 8.8720 128.5945 53.2408 44.8933 174.8619 19 I 4.9477 8.6846 127.0141 59.7482 40.5726 174.6284 20 T 4.8670 8.7658 122.9114 61.7855 71.9901 172.4183 21 D 5.0092 9.1731 126.6071 52.8749 43.7097 175.3673 22 I 4.9534 8.3166 124.8647 59.4796 39.4056 174.2894 23 V 4.2417 8.5034 129.1146 62.4967 33.7276 176.1587 24 N 3.9953 9.4996 125.8424 54.7686 34.7455 171.5690 25 D 4.4860 8.4645 114.9810 55.1577 37.8625 175.9290 26 R 4.8812 7.6291 120.3477 55.1180 32.0768 176.6886 27 P 4.9340 0.0000 0.0000 62.0164 32.7509 175.3304 28 H 4.9414 9.3583 121.7253 54.6097 33.2193 172.3383 29 T 4.2862 8.5242 122.7797 63.9359 68.2874 174.1531 30 L 4.2969 8.7107 127.3163 56.3941 42.9893 177.7052 31 V 4.3344 7.3460 117.3316 61.1439 35.2275 173.8746 32 N 5.1395 8.7541 125.2671 52.0236 40.7281 172.3915 33 E 4.9433 9.2489 127.2505 53.9199 33.2053 174.4695 34 K 5.3465 8.6161 123.0916 55.4997 36.5183 175.2891 35 S 4.6524 9.0293 115.0199 56.8733 66.1612 172.7217 36 A 4.5116 8.6771 129.5262 52.0474 18.2160 176.6337 37 V 3.6739 8.6166 123.0959 61.4178 33.9436 176.0300 38 G 3.8507 7.6737 107.2558 46.3936 0.0000 174.7220 39 L 3.9545 8.1815 120.8701 57.4744 42.8777 177.9585 40 G 3.7338 7.9727 106.7132 46.6390 0.0000 173.5255 41 K 3.9279 7.6117 122.8091 57.8489 32.3642 177.7141 42 G 3.9819 9.5612 113.8557 45.8089 0.0000 173.7968 43 G 3.6803 7.4221 103.9491 44.9623 0.0000 175.0414 44 I 3.4909 7.9929 120.9314 64.1920 37.9346 177.5543 45 T 4.1209 7.6667 107.1132 62.8475 68.9448 174.7673 46 K 4.2897 7.8219 120.8601 56.0194 32.8990 176.7299 47 G 3.9113 8.6759 107.6374 45.4921 0.0000 173.0304 48 F 5.3029 7.0771 112.9307 55.0794 41.1223 172.7823 49 I 4.7064 8.9016 122.5254 59.4921 38.5952 176.5190 50 T 4.4415 8.3915 115.2170 61.0902 69.6988 174.4035 51 E 4.1325 8.7707 121.8331 59.6857 29.9672 178.7519 52 E 4.0519 8.3361 117.7350 59.4541 29.7909 179.5029 53 A 4.2440 8.1780 120.3190 52.6032 17.9163 178.9617 *55 D 4.5440 8.2443 121.2875 56.1164 43.1738 178.4785 56 R 3.7835 8.1429 117.7609 59.0523 29.8746 178.8369 57 A 3.6389 8.0466 120.6495 55.2062 18.3237 179.7212 58 L 3.9182 7.8165 116.9027 57.7661 41.7708 178.9008 59 D 4.2749 8.1539 118.0674 57.8576 41.0683 178.6681 60 T 3.5984 7.7464 115.9528 66.5388 68.3028 176.8217 61 L 3.9713 8.1421 121.1601 57.4745 41.6036 179.7288 62 K 4.0114 8.3343 118.9895 59.3686 32.0552 179.5114 63 K 4.0462 7.9779 118.6887 59.5658 31.9012 179.4741 64 F 4.5156 8.6051 118.5148 60.5619 38.7121 177.6642 65 R 3.9397 8.6010 118.9070 59.3511 29.7870 178.6370 66 V 3.6034 7.8146 117.9291 66.2510 31.2047 178.1037 67 I 3.9204 7.8025 119.2522 64.2637 36.9229 178.3131 68 L 4.0242 8.2942 120.2013 58.1405 41.5467 179.4295 69 D 4.4041 8.3529 118.7590 57.3846 40.5495 178.5848 70 E 4.1470 8.4859 117.9653 58.3979 29.3937 177.4014 71 H 4.6494 7.4738 114.0674 54.3908 29.3220 173.8636 72 A 3.7394 7.7430 120.7884 52.9320 16.4968 178.4410 73 V 3.7479 7.8919 122.0938 64.6038 32.4584 176.2070 74 V 3.9640 8.3433 123.9727 62.8034 32.8271 172.8843 75 H 4.8132 7.4299 121.6547 54.7177 29.2139 174.6029 76 V 4.9374 8.3139 123.2237 60.9249 34.2965 174.5709 77 I 4.6676 8.7731 126.5035 59.2269 41.7535 173.3345 78 A 5.1602 8.6908 130.6175 50.4194 21.4088 174.6148 79 T 4.8615 8.7529 113.7446 60.3903 71.1283 174.4969 80 G 4.2136 8.9829 111.9231 43.9769 0.0000 171.5963 81 T 4.7344 8.2391 114.4374 60.9342 69.2227 175.8319 82 S 4.0275 9.1082 111.0620 61.6995 61.8942 175.9768 83 A 4.1012 7.4375 120.4429 54.8856 18.0623 179.6572 84 V 3.7075 7.6833 116.6494 66.2545 31.6500 178.4611 85 R 3.9481 8.2396 114.7214 59.1422 29.3208 178.2655 86 S 4.4152 8.0558 113.3813 59.4217 62.8296 174.5372 87 G 3.8335 7.5312 112.1445 44.7410 0.0000 174.7712 88 S 4.2057 9.1866 121.0766 60.6730 63.4437 174.8081 89 N 4.9482 8.0752 117.6485 52.3015 37.6680 176.5551 90 K 3.8839 8.0021 122.4348 61.3003 32.2093 178.2560 91 Q 3.9346 8.0610 119.7838 58.4654 28.9990 178.0810 92 V 3.5660 7.7018 119.4514 65.8646 31.5421 177.6784 93 L 3.9732 7.8940 119.4375 58.3126 42.0045 178.7701 94 I 3.7074 8.0005 119.8710 64.6094 37.0525 178.2505 95 D 4.4006 8.3250 119.7324 57.2783 40.6113 179.0237 96 R 3.9583 8.1724 118.7061 59.2357 30.0692 179.1467 97 I 3.7100 8.0015 119.7557 64.2265 37.1955 178.3626 98 K 4.1484 8.0129 121.8046 58.8088 31.7968 178.7711 99 K 3.9245 7.9151 118.7783 59.4876 32.2346 178.1546 100 E 4.1770 8.1826 118.4129 58.5019 29.7644 177.4647 101 V 4.3273 7.4087 107.2999 59.7706 33.6068 174.6508 102 N 4.2786 8.0577 117.0900 54.9948 38.0145 173.8152 103 I 4.4922 7.5385 116.1910 59.3457 40.1275 174.6738 104 D 4.6287 8.4871 124.6464 52.5753 41.7328 176.3355 105 V 3.8687 8.2998 125.2108 62.7721 32.2297 174.7841 106 E 4.3989 9.2795 130.0835 54.7772 30.6657 174.8351 107 V 4.3838 8.3479 128.4816 62.3240 32.2555 174.9959 108 I 4.6833 8.2141 122.0337 58.8839 39.8747 175.4888 109 D 4.6447 8.5985 124.3862 52.4295 40.7258 177.4147 110 G 3.5149 8.6099 105.6279 47.7478 0.0000 175.6514 111 A 3.8322 7.8092 122.5787 55.0487 18.4462 179.6236 112 R 3.9948 8.4686 117.4045 59.2495 30.0365 178.0837 113 E 3.8664 8.4279 119.3223 59.2927 29.5827 178.7137 114 A 3.9557 8.1382 120.7343 55.2072 18.4325 179.3485 115 E 3.9221 8.1123 117.0048 59.6840 29.5620 179.7610 116 L 4.0201 8.1217 118.9344 57.6979 41.6660 179.3655 117 I 3.7129 8.0570 120.1888 64.6718 37.0935 178.2657 118 F 4.1357 8.4428 121.1745 61.1503 39.0050 177.0379 119 R 4.2783 7.6818 120.1104 58.7004 29.8566 178.8023 120 G 3.6364 8.0213 105.1294 47.7444 0.0000 175.6277 121 V 3.4706 7.8085 120.9064 65.8208 31.1120 178.0477 122 Q 3.6402 7.9416 118.0821 58.9761 28.2543 178.7624 123 Q 3.7173 7.4293 119.4890 58.5782 29.0635 177.4109 124 A 3.8578 7.4352 120.9347 52.1455 18.8484 177.3794 125 V 4.0845 7.3885 116.8474 60.2313 33.4470 173.5258 126 P 4.4396 0.0000 0.0000 62.2907 33.3533 176.6764 *128 E 4.2550 8.1597 116.9608 56.8880 29.7568 177.0850 129 D 4.5871 8.5710 127.8416 54.4271 39.7365 176.1281 130 H 4.4326 7.8754 117.7483 55.9275 29.1255 174.9554 131 I 4.1700 8.4838 126.0960 61.5356 38.0342 175.2155 132 S 5.1999 9.3936 123.5377 56.5394 67.1034 172.8261 133 L 5.0804 9.0969 125.6127 53.8168 43.7961 175.6583 134 A 5.6389 9.0883 129.0696 49.5931 22.8754 174.2678 *136 D 4.7494 8.2679 115.8940 54.7088 42.5048 174.5935 137 I 4.4688 8.6580 127.5777 60.0235 38.6649 175.4763 138 G 4.3389 8.5798 116.9326 43.2999 0.0000 173.3473 139 G 3.6698 8.7547 106.7029 47.5651 0.0000 175.4104 140 G 4.0770 8.4531 105.4902 46.2604 0.0000 173.7341 141 S 5.1646 7.9127 113.1695 56.3155 67.5235 173.0098 142 V 4.8264 8.9417 119.9233 61.2237 34.0808 173.8294 143 E 5.1241 8.5942 127.4623 54.7362 31.5137 175.4314 144 F 5.3153 9.2014 122.1401 55.8629 42.7743 174.3362 145 I 4.9081 9.0999 123.2598 59.6058 41.3135 174.1370 146 I 4.7829 8.6456 128.0158 60.1322 39.3800 175.3271 147 G 4.0592 8.4514 113.5042 46.9656 0.0000 170.1782 148 N 4.8195 8.3785 117.0716 52.0374 39.3675 174.8050 149 K 3.9304 8.3288 116.1818 59.5824 32.7772 177.2941 150 N 4.8732 8.3688 115.5135 53.4559 40.6044 174.6682 151 E 4.6994 7.9533 116.3287 54.5370 33.6615 174.1446 152 I 4.3707 8.1084 122.4548 59.7707 38.5096 175.7255 153 L 3.7692 8.2036 126.5199 56.7153 42.2987 177.2586 154 W 5.0181 7.5074 125.8985 56.3624 33.9527 173.4026 155 K 4.3489 7.3825 123.2310 55.8100 35.0993 174.7290 156 Q 4.1235 8.1994 121.2664 55.0130 32.8182 172.6808 157 S 5.1793 8.2357 120.1230 56.6960 64.5623 172.9772 158 F 4.8433 9.2606 124.5453 55.3610 42.4008 175.4574 159 E 4.4900 8.7624 124.5085 55.4342 27.8487 176.2997 160 I 4.8950 7.5098 108.8397 59.7008 39.2464 177.4377 161 G 4.0074 8.2430 107.3239 45.4362 0.0000 174.8443 162 G 3.7285 8.7796 108.0192 47.6543 0.0000 176.0753 163 Q 4.0195 8.1790 121.8373 59.0838 29.0484 178.6142 164 R 3.9093 7.9688 118.6005 59.1630 30.2536 178.8529 165 L 4.1193 8.0305 119.0215 57.8853 41.5322 179.5701 166 I 3.9745 7.7443 110.9878 63.3325 37.7318 177.2583 167 D 4.5128 7.7270 119.9917 56.3726 41.0335 178.2379 168 R 3.8989 7.8363 115.6456 56.6044 30.1028 176.5761 169 F 4.8661 7.1420 116.6271 55.6604 41.8017 174.8398 170 H 4.6278 8.7216 123.7214 54.9368 28.8002 174.0313 171 V 4.0735 8.0060 126.3250 61.5469 32.4891 175.6866 172 H 4.4174 8.9318 124.6374 55.5128 29.2802 174.9477 173 D 4.8719 8.3119 120.6202 51.8777 43.0872 173.6465 174 P 4.4098 0.0000 0.0000 63.2626 30.0697 180.2779 *176 R 4.0954 8.8327 113.4997 55.1881 32.7474 174.2160 177 E 3.8960 8.5954 120.9880 59.9804 29.2873 178.9040 178 D 4.3437 8.0144 115.7906 57.3716 41.3195 177.4254 179 D 4.4349 7.8829 118.3831 57.3226 40.9324 178.4034 180 R 4.1047 7.6844 117.4493 58.5358 31.6374 178.6256 181 V 3.8361 7.5131 119.0239 63.7292 27.4318 175.6921 *184 H 4.6912 7.9180 118.6830 55.5501 31.5584 175.7718 185 N 4.2941 8.3788 117.8165 56.7079 38.7338 176.2640 186 Y 4.1492 7.6610 120.3865 60.8666 38.9428 177.8625 187 F 4.2947 7.6631 118.1302 60.6344 38.7344 176.9823 188 D 4.4549 8.0993 117.7106 57.7046 40.7175 178.6427 189 E 4.1190 7.6543 117.4761 59.2784 29.5760 179.2016 190 V 3.7699 7.4711 117.3843 65.2932 31.8144 177.1038 191 L 4.0881 7.6446 117.0405 54.5392 41.5910 178.3950 192 V 3.7180 7.7666 121.4797 66.0571 31.3147 176.3152 193 P 4.4035 0.0000 0.0000 65.2139 31.1438 178.4238 194 L 3.6174 7.8690 119.0903 57.9498 42.0753 178.5527 195 E 3.7991 8.1359 118.5839 59.3115 29.4043 179.5374 196 K 3.8228 7.9989 118.1152 59.3864 32.0398 179.2729 197 A 3.6209 7.4634 120.9007 54.9925 17.9221 179.7241 198 I 3.5526 7.6204 118.5667 64.5952 36.9057 178.4698 199 N 4.2860 7.8883 116.3665 56.3306 38.3608 177.5076 200 T 3.6611 7.5757 116.3255 66.1010 68.6774 176.2674 201 W 4.5977 8.0339 117.9781 55.6060 30.8554 176.3386 202 R 3.8463 8.3314 117.8165 56.2889 27.3529 174.7123 203 P 4.5709 0.0000 0.0000 63.5152 32.2710 176.6351 204 T 4.6200 8.9118 109.1878 61.7629 70.3953 173.3688 205 Q 4.8702 7.8466 120.2041 53.4368 34.0057 173.1570 206 L 5.2200 8.4815 122.8053 53.4000 45.1750 174.9402 207 I 4.9118 9.1431 126.9752 59.3701 40.5186 174.7391 208 G 2.7941 8.4519 113.2574 43.8791 0.0000 171.5426 209 C 5.2987 7.7854 115.9466 57.5513 34.2881 174.1408 210 S 4.4056 8.7648 113.7794 57.9938 60.6844 169.9854 211 G 3.6827 8.7042 105.5162 48.8057 0.0000 175.8154 212 T 3.8483 7.9282 117.6981 66.6177 68.5615 176.5905 213 F 4.2740 8.2000 119.0158 60.5527 38.8977 177.3356 214 D 4.4380 8.4736 118.6909 57.7789 40.4153 178.9878 215 T 3.8728 8.0485 115.3821 66.4858 68.4812 176.4290 216 L 4.1333 7.9026 119.8250 57.6663 41.8943 179.0430 217 A 4.0280 8.1360 120.6030 55.0459 18.3009 181.0130 218 E 4.0881 8.0950 115.8869 56.6980 29.4773 178.7549 *220 N 4.6697 8.1922 119.6890 53.7849 41.1703 176.2817 221 I 4.0995 7.9193 118.4576 63.9391 37.7177 178.1346 222 Q 3.9468 8.2574 121.3273 59.3301 29.1345 177.6453 223 H 4.1008 8.2770 116.1661 59.3505 29.9254 175.2774 224 H 4.6637 8.3463 113.4087 55.1429 28.9843 175.0352 225 R 3.8055 7.5339 117.7037 57.0612 28.1530 176.4499 226 E 4.2352 8.3769 118.9242 56.8296 30.8264 178.5895 227 K 4.5673 8.3545 126.2610 53.1398 30.3603 173.7513 228 I 4.4085 7.4240 121.0298 59.1573 40.1501 175.6526 229 A 4.3649 8.4691 129.2736 50.6166 18.5409 177.3073 230 L 3.9786 8.5355 125.7905 58.5126 42.4038 178.9659 231 E 3.9990 8.2927 115.5663 58.5275 29.3694 177.5797 232 K 4.5314 8.1421 117.4856 55.8662 32.4899 175.5671 233 Q 4.6080 7.7538 116.5965 55.0368 31.6607 174.6420 234 T 4.7709 8.5228 107.4573 61.1658 70.2487 173.8184 235 S 5.2053 7.7436 115.4715 57.3878 66.8313 172.8113 236 Y 4.6283 8.8560 121.4881 56.2411 42.2470 173.1215 237 L 4.7804 7.9250 128.9462 53.6753 43.6406 174.9218 238 L 4.8196 9.0304 129.4584 53.1386 43.8227 176.3128 239 S 4.6576 8.6865 120.9138 57.8508 64.2289 175.1810 240 L 4.1126 8.5793 121.3062 57.6255 41.3713 177.9054 241 P 4.3558 0.0000 0.0000 65.7795 31.2847 178.3585 242 D 4.4125 8.2646 117.7014 57.2302 40.7439 178.5102 243 F 4.1457 8.5893 121.3815 61.5637 39.4570 177.0422 244 N 4.3401 8.8010 116.3947 55.9080 38.2420 177.4881 245 R 3.8179 8.0333 120.4134 59.4054 30.1064 178.6218 246 L 3.8815 7.7754 118.8055 57.5122 41.4734 179.4279 247 R 3.5946 7.8395 119.0448 59.3093 30.0736 178.7730 248 K 3.9092 7.9422 118.2156 59.3260 31.7932 179.1085 249 Q 3.8991 7.8302 118.7137 59.3602 29.3397 178.1521 250 L 4.1273 8.1093 120.1864 57.5750 41.4496 179.5519 251 V 3.5992 7.9547 117.7478 65.8682 31.5146 177.6262 252 A 4.1571 7.7906 119.4051 53.3523 18.6358 178.0827 253 S 4.4836 7.0229 111.5954 58.3552 64.0994 174.6451 254 T 4.5895 8.5775 112.9963 60.4760 71.5240 175.8651 255 R 3.8633 8.9525 122.5439 59.8967 29.8197 178.7329 256 R 3.9001 7.9272 116.3271 59.5582 30.4768 177.7854 257 E 4.1138 8.1450 118.1659 59.5583 29.4075 179.6201 258 R 3.9830 8.1527 118.0639 59.0618 29.8783 178.9816 259 L 4.0004 7.8799 117.7561 57.0466 41.6494 178.3581 260 A 4.3690 7.4965 118.3224 51.4727 19.3639 177.3198 261 I 3.8524 7.3002 119.3479 60.2113 37.8685 175.9957 262 A 3.8971 8.4444 128.3779 53.5047 18.5923 175.2000 263 G 3.5063 8.5289 114.3320 45.8243 0.0000 173.0990 *265 I 3.9396 7.4850 118.5515 60.2237 40.2899 175.7831 266 E 3.8945 8.6244 121.4609 59.9653 29.1544 179.4606 267 L 4.0480 7.7993 116.6894 57.5821 41.7779 179.0556 268 R 4.0227 7.9185 117.4940 59.2528 30.2438 177.5961 269 A 4.1816 8.1519 120.0027 55.4507 18.3604 179.0621 270 D 4.3883 7.7761 112.4939 55.9513 40.7276 177.6022 *272 V 4.1298 7.6638 121.0322 61.6526 33.7250 178.0603 273 V 3.5672 7.7702 119.4618 66.0487 31.4718 178.3138 274 V 3.7629 7.8588 111.4720 64.1384 31.3910 178.2757 275 A 4.0172 7.9957 120.2563 55.3033 18.3136 179.4002 276 I 3.7718 8.0848 117.3075 64.2950 37.9643 177.8949 277 C 4.3067 8.3667 117.8963 62.7073 27.9331 175.7536 278 L 3.4201 8.2020 121.9210 57.9923 41.5829 179.0862 279 I 3.7365 7.9616 119.7924 64.2928 37.0917 177.8913 280 E 4.0510 8.6047 120.2421 59.6551 29.2797 178.1822 281 H 4.1020 8.2788 116.8803 59.5328 30.2266 177.0205 282 V 3.7013 8.0505 119.9277 65.9333 30.9491 177.7863 283 L 3.9658 8.3603 119.2179 57.9398 41.2232 179.7092 284 K 4.0550 7.8655 117.0740 58.8582 31.9850 178.8497 285 L 4.1409 7.7392 118.7050 55.2255 41.9054 177.0777 286 V 4.2569 7.1590 119.8018 61.4803 33.5930 175.1102 287 S 4.9828 8.3239 121.7728 56.5700 64.9451 173.4428 288 T 5.0185 7.9832 127.2673 60.6781 65.4078 175.2498 289 N 4.7841 9.0208 113.5402 52.0929 37.3490 173.5805 290 A 4.4295 7.2628 119.1526 52.4145 22.5098 175.5870 291 I 4.5929 8.5196 118.6769 60.1337 40.0099 175.4589 292 T 4.8266 8.5320 123.5748 61.9349 70.5691 173.9164 293 V 4.2377 9.0422 128.0697 62.2737 32.8275 174.6748 294 S 4.9658 8.6542 124.4173 57.8683 62.8777 174.0712 295 T 4.3098 8.9760 117.1317 63.0953 69.8073 173.9327 296 Y 5.3221 7.6744 120.6556 57.0172 40.3887 175.4809 297 S 4.3080 9.0442 119.8684 56.1389 64.9156 175.4426 298 L 3.9321 9.0165 117.5630 58.3740 41.7606 179.5462 299 K 3.9201 7.9532 117.9898 60.1608 32.3902 178.7911 300 E 3.9709 8.0908 119.4524 58.8816 29.4253 179.2938 301 G 4.2039 8.2668 107.3167 47.1626 0.0000 175.8924 302 V 3.5632 7.8886 120.0514 65.6714 31.6624 177.3810 303 L 3.9438 7.5156 118.4925 58.6891 42.1017 178.4564 304 Y 4.1234 8.2752 116.4487 60.7402 37.7168 178.4753 305 T 4.1754 7.8842 113.9137 64.4262 67.9967 175.9133 *307 L 4.2677 7.9098 123.5977 54.9642 43.5728 178.9158 308 D 4.2572 8.3051 117.6338 55.4744 40.9274 176.2285 309 G 3.7389 7.5235 106.6180 46.7892 0.0000 173.5803 310 V 4.3967 7.4163 117.4145 59.9287 34.3960 174.8562 311 K 4.0678 8.4810 127.6299 56.4680 32.8210 176.8744 312 V 3.6810 8.5546 126.6346 65.8527 31.7991 176.7842 313 G 3.9321 7.8466 108.3295 45.5951 0.0000 173.9699 314 S 4.6661 8.6775 115.0599 57.4882 62.8852 175.6369 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 Q 8.34 4.24 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 4 R 8.14 4.58 0.00 1.84 1.77 0.00 3.22 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 5 I 8.77 4.80 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.85 0.00 0.00 6 G 9.20 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 0.00 0.00 0.00 0.00 7 V 8.84 4.98 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 1.01 0.00 0.00 0.85 0.00 0.00 8 I 8.71 4.88 1.88 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 1.19 0.60 1.01 0.00 0.00 9 D 8.72 5.08 0.00 2.77 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 *11 G 8.36 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.60 4.18 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 1.24 0.00 0.00 13 N 8.47 4.59 0.00 2.69 2.87 0.00 0.00 6.89 7.05 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 14 T 7.87 5.07 4.33 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 1.14 0.00 0.00 15 F 9.38 5.43 0.00 2.80 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 16 H 9.39 5.48 0.00 3.07 3.15 0.00 5.55 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 17 L 8.69 4.79 0.00 0.27 0.55 0.77 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.87 5.05 0.00 1.64 1.35 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.68 4.95 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.52 0.82 0.00 0.00 20 T 8.77 4.87 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 1.13 0.00 0.00 21 D 9.17 5.01 0.00 2.77 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 22 I 8.32 4.95 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.89 0.00 0.00 23 V 8.50 4.24 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 0.95 0.00 0.00 0.93 0.00 0.00 24 N 9.50 4.00 0.00 2.92 2.72 0.00 0.00 6.80 8.06 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 25 D 8.46 4.49 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.63 4.88 0.00 1.49 1.80 0.00 3.23 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 27 P 0.00 4.93 0.00 2.00 1.93 0.00 3.76 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 2.11 1.88 0.00 28 H 9.36 4.94 0.00 3.09 3.13 0.00 5.58 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 29 T 8.52 4.29 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 1.16 0.00 0.00 30 L 8.71 4.30 0.00 1.50 1.61 0.93 1.15 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 31 V 7.35 4.33 1.90 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 0.93 0.00 0.00 0.66 0.00 0.00 32 N 8.75 5.14 0.00 2.65 2.64 0.00 0.00 6.81 7.65 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 33 E 9.25 4.94 0.00 1.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 34 K 8.62 5.35 0.00 1.71 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.44 7.81 35 S 9.03 4.65 0.00 3.96 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.68 4.51 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 37 V 8.62 3.67 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 0.30 0.00 0.00 -0.10 0.00 0.00 38 G 7.67 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 39 L 8.18 3.95 0.00 1.73 1.89 1.02 1.10 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 40 G 7.97 3.73 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 0.00 0.00 0.00 41 K 7.61 3.93 0.00 1.72 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.38 7.81 42 G 9.56 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 43 G 7.42 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 0.00 0.00 0.00 44 I 7.99 3.49 1.90 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 1.32 1.28 0.91 0.00 0.00 45 T 7.67 4.12 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 1.12 0.00 0.00 46 K 7.82 4.29 0.00 1.52 1.98 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.30 1.53 7.81 47 G 8.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.08 5.30 0.00 3.33 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 49 I 8.90 4.71 1.95 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 1.39 0.69 0.96 0.00 0.00 50 T 8.39 4.44 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 1.40 0.00 0.00 51 E 8.77 4.13 0.00 1.99 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 2.31 2.27 0.00 52 E 8.34 4.05 0.00 2.03 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 2.39 2.31 0.00 53 A 8.18 4.24 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 D 8.24 4.54 0.00 2.88 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 56 R 8.14 3.78 0.00 1.88 1.80 0.00 3.04 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 57 A 8.05 3.64 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 58 L 7.82 3.92 0.00 1.65 1.72 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.15 4.27 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.75 3.60 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 0.35 0.00 0.00 61 L 8.14 3.97 0.00 1.70 1.76 1.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.33 4.01 0.00 1.93 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 63 K 7.98 4.05 0.00 1.97 1.94 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.58 7.81 64 F 8.61 4.52 0.00 3.15 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 65 R 8.60 3.94 0.00 2.01 2.20 0.00 3.19 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 66 V 7.81 3.60 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.01 0.00 0.00 67 I 7.80 3.92 2.02 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 1.58 0.86 0.91 0.00 0.00 68 L 8.29 4.02 0.00 1.88 1.73 0.96 1.02 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 69 D 8.35 4.40 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 70 E 8.49 4.15 0.00 2.13 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 0.00 2.33 2.44 0.00 71 H 7.47 4.65 0.00 3.07 3.28 0.00 6.00 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 72 A 7.74 3.74 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 73 V 7.89 3.75 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 0.78 0.00 0.00 1.00 0.00 0.00 74 V 8.34 3.96 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 0.83 0.00 0.00 0.93 0.00 0.00 75 H 7.43 4.81 0.00 3.14 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.31 4.94 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 0.78 0.00 0.00 0.93 0.00 0.00 77 I 8.77 4.67 1.85 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 1.13 1.54 0.87 0.00 0.00 78 A 8.69 5.16 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 79 T 8.75 4.86 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 1.18 0.00 0.00 80 G 8.98 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 0.00 0.00 0.00 81 T 8.24 4.73 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 1.19 0.00 0.00 82 S 9.11 4.03 0.00 3.93 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 83 A 7.44 4.10 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 84 V 7.68 3.71 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 0.93 0.00 0.00 85 R 8.24 3.95 0.00 1.95 2.05 0.00 3.10 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.63 0.00 86 S 8.06 4.42 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 7.53 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 0.00 0.00 0.00 88 S 9.19 4.21 0.00 3.99 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 89 N 8.08 4.95 0.00 2.91 3.08 0.00 0.00 6.01 6.43 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 90 K 8.00 3.88 0.00 2.04 2.39 0.00 1.32 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.48 7.81 91 Q 8.06 3.93 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 92 V 7.70 3.57 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 0.95 0.00 0.00 0.94 0.00 0.00 93 L 7.89 3.97 0.00 1.83 1.84 0.97 1.10 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 94 I 8.00 3.71 1.88 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 1.52 0.57 0.91 0.00 0.00 95 D 8.32 4.40 0.00 2.76 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 96 R 8.17 3.96 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 97 I 8.00 3.71 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.09 0.96 0.00 0.00 98 K 8.01 4.15 0.00 1.89 1.97 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.36 7.81 99 K 7.92 3.92 0.00 1.81 1.98 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 100 E 8.18 4.18 0.00 2.14 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 2.32 2.39 0.00 101 V 7.41 4.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.05 0.00 0.00 102 N 8.06 4.28 0.00 2.84 2.85 0.00 0.00 6.91 7.80 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 0.00 103 I 7.54 4.49 1.89 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 1.43 1.03 0.92 0.00 0.00 104 D 8.49 4.63 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.30 3.87 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 0.70 0.00 0.00 0.92 0.00 0.00 106 E 9.28 4.40 0.00 2.06 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 0.00 2.22 2.26 0.00 107 V 8.35 4.38 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 0.84 0.00 0.00 0.92 0.00 0.00 108 I 8.21 4.68 1.85 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 1.37 0.81 0.89 0.00 0.00 109 D 8.60 4.64 0.00 2.89 2.83 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 0.00 110 G 8.61 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.81 3.83 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 0.00 112 R 8.47 3.99 0.00 2.11 2.03 0.00 3.29 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 113 E 8.43 3.87 0.00 2.13 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 0.00 2.30 2.33 0.00 114 A 8.14 3.96 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 0.00 115 E 8.11 3.92 0.00 2.18 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 2.27 2.43 0.00 116 L 8.12 4.02 0.00 1.82 1.72 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.06 3.71 2.06 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 1.49 0.71 0.95 0.00 0.00 118 F 8.44 4.14 0.00 3.19 3.05 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 0.00 119 R 7.68 4.28 0.00 2.03 2.13 0.00 3.37 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 120 G 8.02 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.81 3.47 1.79 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 0.86 0.00 0.00 0.93 0.00 0.00 122 Q 7.94 3.64 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.04 1.71 0.00 123 Q 7.43 3.72 0.00 1.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 1.16 2.09 0.00 124 A 7.44 3.86 0.92 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 0.00 125 V 7.39 4.08 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 0.77 0.00 0.00 0.80 0.00 0.00 126 P 0.00 4.44 0.00 2.15 1.95 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 *128 E 8.16 4.26 0.00 1.79 1.66 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 2.21 2.17 0.00 129 D 8.57 4.59 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 7.88 4.43 0.00 3.15 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.48 4.17 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.09 1.04 0.00 0.00 132 S 9.39 5.20 0.00 3.86 3.79 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 0.00 133 L 9.10 5.08 0.00 1.79 1.59 1.26 0.97 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 0.00 134 A 9.09 5.64 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 *136 D 8.27 4.75 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.66 4.47 1.91 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 1.28 0.84 0.93 0.00 0.00 138 G 8.58 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 0.00 0.00 0.00 139 G 8.75 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 0.00 140 G 8.45 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 0.00 0.00 0.00 141 S 7.91 5.16 0.00 4.04 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 0.00 142 V 8.94 4.83 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 0.58 0.00 0.00 1.01 0.00 0.00 143 E 8.59 5.12 0.00 1.82 1.79 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 2.30 2.26 0.00 144 F 9.20 5.32 0.00 3.26 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 0.00 145 I 9.10 4.91 1.63 0.00 0.00 0.94 0.00 0.00 0.00 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0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 154 W 7.51 5.02 0.00 3.37 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 0.00 155 K 7.38 4.35 0.00 1.55 1.38 0.00 1.46 0.00 0.00 1.30 0.00 0.00 2.49 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.99 1.17 7.81 156 Q 8.20 4.12 0.00 1.31 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 1.19 1.82 0.00 157 S 8.24 5.18 0.00 3.90 3.58 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 0.00 158 F 9.26 4.84 0.00 3.15 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 0.00 159 E 8.76 4.49 0.00 2.05 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 2.34 2.27 0.00 160 I 7.51 4.89 2.23 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 1.75 0.82 1.20 0.00 0.00 161 G 8.24 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 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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 0.00 180 R 7.68 4.10 0.00 1.99 2.06 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 181 V 7.51 3.84 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 1.08 0.00 0.00 0.95 0.00 0.00 *184 H 7.92 4.69 0.00 3.38 3.48 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.38 4.29 0.00 2.87 2.78 0.00 0.00 6.71 7.85 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 0.00 186 Y 7.66 4.15 0.00 2.74 2.48 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 0.00 187 F 7.66 4.29 0.00 2.73 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 0.00 188 D 8.10 4.45 0.00 2.90 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 0.00 189 E 7.65 4.12 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.77 1.85 0.94 1.00 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 0.00 241 P 0.00 4.36 0.00 2.20 2.14 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 242 D 8.26 4.41 0.00 2.97 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 0.00 243 F 8.59 4.15 0.00 3.24 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 0.00 244 N 8.80 4.34 0.00 2.77 2.85 0.00 0.00 6.70 7.48 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 0.00 245 R 8.03 3.82 0.00 1.85 2.00 0.00 2.89 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 246 L 7.78 3.88 0.00 1.68 1.57 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 247 R 7.84 3.59 0.00 1.02 1.73 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 248 K 7.94 3.91 0.00 1.92 1.80 0.00 1.69 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 257 E 8.14 4.11 0.00 2.24 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 2.33 2.35 0.00 258 R 8.15 3.98 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 259 L 7.88 4.00 0.00 1.79 1.74 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 260 A 7.50 4.37 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 0.00 261 I 7.30 3.85 1.97 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 1.22 0.57 0.90 0.00 0.00 262 A 8.44 3.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 263 G 8.53 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *265 I 7.48 3.94 1.87 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 1.54 1.20 0.92 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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 0.00 0.00 276 I 8.08 3.77 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.91 0.00 0.00 277 C 8.37 4.31 0.00 3.40 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 278 L 8.20 3.42 0.00 1.41 1.76 -0.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 279 I 7.96 3.74 2.15 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.64 0.00 0.00 280 E 8.60 4.05 0.00 2.41 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 2.45 2.49 0.00 281 H 8.28 4.10 0.00 3.52 3.47 0.00 6.01 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 282 V 8.05 3.70 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.08 0.00 0.00 283 L 8.36 3.97 0.00 1.92 1.69 0.47 0.64 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 0.00 284 K 7.87 4.05 0.00 2.11 1.83 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 285 L 7.74 4.14 0.00 1.69 1.63 0.81 0.60 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 0.00 286 V 7.16 4.26 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 0.98 0.00 0.00 287 S 8.32 4.98 0.00 3.64 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 5.02 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 0.00 289 N 9.02 4.78 0.00 2.84 2.87 0.00 0.00 5.69 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 0.00 290 A 7.26 4.43 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 0.00 291 I 8.52 4.59 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.93 0.00 0.00 292 T 8.53 4.83 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 0.00 293 V 9.04 4.24 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 1.09 0.00 0.00 1.17 0.00 0.00 294 S 8.65 4.97 0.00 3.80 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 0.00 295 T 8.98 4.31 4.33 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 1.30 0.00 0.00 296 Y 7.67 5.32 0.00 2.83 2.83 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 0.00 297 S 9.04 4.31 0.00 4.10 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 0.00 298 L 9.02 3.93 0.00 1.77 1.71 0.91 0.53 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 0.00 299 K 7.95 3.92 0.00 1.95 2.01 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.42 7.81 300 E 8.09 3.97 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.96 0.00 301 G 8.27 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 0.00 302 V 7.89 3.56 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 0.79 0.00 0.00 0.94 0.00 0.00 303 L 7.52 3.94 0.00 1.48 1.65 0.68 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 304 Y 8.28 4.12 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 305 T 7.88 4.18 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 1.28 0.00 0.00 *307 L 7.91 4.27 0.00 1.83 1.73 0.54 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 308 D 8.31 4.26 0.00 2.87 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 0.00 309 G 7.52 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 0.00 310 V 7.42 4.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 311 K 8.48 4.07 0.00 2.00 1.69 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.00 7.81 312 V 8.55 3.68 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 0.81 0.00 0.00 0.91 0.00 0.00 313 G 7.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 314 S 8.68 4.67 0.00 3.74 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 * Residues marked with a * may have inaccurate shift predictions.