NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5773 8.1776 116.7974 59.0468 64.1944 174.8797 3 T 3.9956 8.7309 113.9718 61.6993 68.1990 172.4491 4 I 2.0000 7.2448 122.5247 60.8706 38.9816 175.0528 5 P 4.3201 0.0000 0.0000 62.6520 31.8907 176.7271 6 S 4.3606 8.5078 115.2621 59.7136 63.8045 173.5767 7 E 4.8104 7.7449 120.5091 54.5995 31.1996 176.1468 8 I 3.8785 8.4389 123.9741 63.4487 37.5915 176.1699 9 I 4.3624 7.3311 119.2833 58.9371 39.9245 175.4203 10 N 4.5460 9.0082 124.5095 52.3887 38.7577 175.7734 11 W 4.1310 8.4892 129.1410 59.1768 29.1422 178.3486 12 T 4.1365 7.9567 108.8200 64.2256 68.3804 176.2926 13 I 3.9724 7.5785 122.4660 63.9958 37.4877 177.7403 14 L 3.9015 7.6880 120.8456 58.0555 41.7577 178.5854 15 N 4.4780 8.8498 117.0858 56.5308 38.2644 177.1396 16 E 4.0623 7.8697 118.7867 59.0101 29.6694 178.9462 17 I 4.1438 7.6308 119.7318 64.1373 37.4438 178.1456 18 I 3.9181 8.1620 121.0160 64.3147 36.7024 178.2935 19 S 4.3967 8.4212 116.3417 61.6356 62.3604 175.7215 20 M 4.5736 7.5399 118.8111 55.4836 31.9125 176.8959 21 D 5.2350 8.5776 120.8635 55.9169 41.5103 178.3117 22 D 4.3778 7.6853 117.8051 57.1873 40.7718 177.2841 23 D 4.7023 7.9022 114.4144 54.0912 41.8176 176.3582 24 D 4.4619 7.8519 120.3572 52.9426 42.2601 175.3665 25 S 4.2755 8.8320 121.2060 61.0415 62.6014 175.2635 26 D 5.0041 7.8728 117.7808 54.5416 40.9941 178.5482 27 F 4.5920 8.0645 121.8810 61.0115 39.6111 176.1962 28 S 3.6674 9.2351 113.9324 61.3728 63.0626 176.5361 29 K 3.7376 8.3108 122.7232 58.7222 31.9234 178.8428 30 G 3.6071 8.1812 106.5950 47.2967 0.0000 175.8166 31 L 3.8531 7.5080 120.7541 57.7120 41.7122 179.1819 32 I 3.6835 7.5297 119.5678 64.8746 37.1957 178.5537 33 I 3.8141 7.6420 119.7080 63.8258 36.8538 178.3918 34 Q 4.0034 7.9600 120.9963 59.0169 28.9498 177.7575 35 F 4.1303 8.6966 122.1082 61.4873 39.2827 177.1022 36 I 3.9610 7.9757 119.3623 64.3252 36.7928 177.8716 37 D 4.3048 7.6788 117.9952 56.9843 41.0863 178.2904 38 Q 3.8983 7.9197 118.3732 58.8600 28.7093 178.5793 39 A 3.1423 7.6148 121.8694 55.0955 17.7736 179.7417 40 Q 3.8179 7.2471 116.2670 59.2868 28.7575 179.3063 41 T 3.9267 7.4437 116.7241 66.5104 68.5428 177.1172 42 T 3.8816 7.8515 111.8894 64.4878 68.9066 176.6657 43 F 4.5075 7.8141 120.5799 60.7597 38.9917 177.6169 44 A 4.0361 7.8276 119.5718 55.1787 18.0881 179.7547 45 Q 3.9708 7.9967 116.6243 59.2267 28.7502 178.6987 46 M 4.1801 8.7148 120.2571 58.4173 31.8836 178.5967 47 Q 4.0118 8.4135 119.8445 58.9068 29.3609 178.0559 48 R 3.9171 7.9441 119.8293 58.7241 29.9527 178.2118 49 Q 4.0610 7.5747 118.2460 58.8916 29.0120 177.4452 50 L 3.9324 7.5999 118.7545 57.8955 41.7917 178.6423 51 D 4.7947 7.8070 116.2691 53.0397 41.4146 177.0820 52 G 3.9006 7.7460 103.1701 45.7346 0.0000 173.8512 53 E 3.9399 9.5640 123.0076 57.0869 30.8275 175.5594 54 K 3.7683 7.8175 116.9262 57.1716 30.4533 175.8032 55 N 4.6684 7.6421 117.0516 52.4276 39.8024 174.1578 56 L 4.1087 8.4073 128.8342 57.5394 41.6907 179.5837 57 T 3.8947 8.4157 116.6651 66.3833 68.3722 176.2636 58 E 3.9349 8.4103 120.0371 59.8623 29.7055 179.5758 59 L 4.0332 7.8381 117.8143 57.2835 41.5791 179.3284 60 D 4.2689 7.7425 118.5503 57.3937 41.1806 177.9592 61 N 4.4049 8.4045 117.2868 56.3258 38.6611 177.4348 62 L 4.1335 8.3939 120.9529 57.8638 41.6035 179.9094 63 G 3.6717 8.0956 105.2050 47.7638 0.0000 175.3883 64 H 4.1872 8.2907 120.6346 59.0527 30.0015 176.8750 65 F 4.0114 8.4182 122.6226 61.4925 39.2704 176.9874 66 L 3.7714 8.0134 119.3074 57.6354 41.8171 178.8539 67 K 4.0650 7.8836 120.0212 59.0239 32.2014 179.1823 68 G 3.3660 7.6291 106.2480 47.7462 0.0000 175.6234 69 S 3.9326 7.4298 118.0354 61.3820 62.7933 177.0959 70 S 3.4081 7.8572 116.2380 61.3215 62.2408 176.3572 71 A 3.8501 7.8711 124.1254 54.5141 17.7913 179.4766 72 A 3.9036 7.4399 119.5292 54.7770 18.5481 178.2537 73 L 4.1280 7.2294 112.0588 54.4429 42.0419 177.3371 74 G 3.6938 7.5873 106.4757 46.0676 0.0000 174.0141 75 L 4.6076 7.6232 122.9426 53.4017 40.2277 177.1726 76 Q 4.1760 8.2544 120.0392 57.9687 29.1161 178.2874 77 R 4.1400 7.8565 120.0735 58.8556 30.3978 178.5263 78 I 3.9099 7.8074 119.1609 64.2682 37.1212 178.1541 79 A 4.0146 7.9105 121.7582 54.8028 18.2826 179.3283 80 W 4.1054 8.1737 126.5076 60.8623 30.7136 178.4165 81 V 3.7330 8.1471 117.9102 66.1613 30.9703 177.8030 82 C 4.1256 8.2571 116.7112 62.7051 27.9593 175.5374 83 E 3.8566 8.3863 121.1387 59.3679 29.0585 179.2319 84 R 3.7004 7.4931 117.9498 59.0781 30.1445 178.9107 85 I 3.5902 7.7057 119.7697 64.3944 37.0264 178.4471 86 Q 3.8976 8.1270 118.7557 59.1943 28.6314 178.4792 87 N 4.2920 8.0913 117.3013 56.4186 38.4199 177.5605 88 L 4.1697 8.3827 120.9543 57.4482 41.4909 179.3409 89 G 3.6614 7.7895 106.4026 47.2642 0.0000 174.3372 90 R 4.2377 7.4808 116.8110 55.0336 30.6675 176.0873 91 K 3.3588 6.9673 116.4063 57.7343 30.0498 175.5589 92 M 4.4366 7.9662 116.9514 55.3272 33.5328 176.5779 93 E 4.8100 7.7806 116.5560 54.9563 33.0561 175.0471 94 H 5.1354 8.9113 115.8747 55.2327 30.7949 172.8150 95 F 5.0712 7.7930 113.3639 55.4794 40.8409 173.3204 96 F 4.3861 8.4584 121.9749 55.6489 42.0817 172.4304 97 P 4.4994 0.0000 0.0000 62.4290 31.9297 176.2277 98 N 4.7803 8.3240 117.0660 52.3052 40.8214 176.3689 99 K 3.9252 8.5936 122.8152 60.2686 32.1187 179.0040 100 T 3.8359 7.9301 115.3165 66.6736 68.1750 175.9147 101 E 3.9152 8.0622 119.4334 59.2097 30.0079 178.5178 102 L 4.0084 7.6706 118.7938 57.8561 41.3371 179.5708 103 V 3.6379 8.4168 118.2982 65.7482 31.1117 177.0097 104 N 4.5114 7.7510 115.3147 55.3895 38.9867 175.6438 105 T 4.0792 7.6780 109.0540 63.0278 69.5002 175.1825 106 L 4.0965 7.1858 122.2124 55.1569 42.1539 176.9863 107 S 4.1570 9.2146 119.1073 60.7244 62.2294 173.9565 108 D 4.6771 7.8251 119.5150 52.5376 43.1180 175.2758 109 K 4.2798 8.5918 125.2409 56.8930 32.9187 178.8593 110 S 4.1558 8.5527 116.7267 61.0122 62.8493 176.1111 111 I 3.9294 7.2160 119.4789 62.5700 37.8458 176.0657 112 I 4.4311 7.5032 113.1673 60.6398 37.4886 175.1607 113 N 4.4128 8.0265 119.9662 55.2652 38.5398 176.3680 114 G 3.9819 9.1026 112.8728 45.0366 0.0000 173.1776 115 I 4.1455 6.9032 111.6797 59.6492 39.2081 175.2249 116 N 4.7276 8.0229 120.3630 51.6162 38.4452 175.4503 117 I 3.8112 8.3647 119.3154 62.7716 37.6733 176.3049 118 D 4.8870 7.8645 120.3144 54.2733 41.3702 177.4298 119 E 3.9130 8.8779 121.9012 59.7715 29.3708 178.1443 120 D 4.7705 7.8535 113.8217 53.9693 41.3065 176.4209 121 D 4.6382 7.6763 120.4743 54.3717 41.3022 175.5761 122 E 4.5243 8.7162 123.4127 54.3411 30.9929 175.9281 123 E 3.8914 8.6115 124.1347 56.4261 30.1607 176.7138 124 I 4.0408 8.3581 129.6205 61.2706 36.7093 177.3653 125 K 4.6047 8.3569 134.7936 54.0796 31.6862 174.6011 126 I 4.6638 7.1507 119.4092 59.0249 39.8913 178.0750 *131 K 4.3905 8.5232 122.8349 54.2544 33.9420 175.7617 132 D 4.4783 6.9604 115.3389 53.9091 44.7296 176.5773 133 E 4.0041 8.9640 123.8304 59.0244 29.9461 177.5115 134 N 4.8793 8.4230 114.7801 54.3200 39.5508 176.9736 135 S 4.1112 7.7462 115.6560 61.9510 62.9397 176.4174 136 I 3.7703 7.6432 120.3119 63.7978 37.8188 177.2818 137 Y 4.0680 8.0304 117.9411 60.6540 37.7273 177.8942 138 L 4.0800 7.9553 119.6431 57.7023 41.8242 179.3604 139 I 3.7932 7.7051 119.5189 64.1002 37.1124 178.2316 140 L 4.1692 7.8479 119.2272 57.1790 41.4766 179.4469 141 I 3.5490 7.8797 119.9449 64.2023 37.1325 178.2653 142 A 3.9205 7.9724 121.4889 54.7822 17.9542 179.9042 143 K 3.9727 7.7834 116.7755 59.5041 32.2197 179.4285 144 A 3.0552 7.3556 120.7976 54.4394 17.9746 179.4870 145 L 3.7559 7.9457 119.4374 58.2688 41.6874 178.8785 146 N 4.2460 7.7002 115.4882 55.7824 38.4158 177.0069 147 Q 4.1922 7.7868 121.2295 58.7139 29.1316 178.1008 148 S 4.2254 8.0117 116.5723 61.5730 62.9862 176.6973 149 R 3.7520 7.7804 120.9730 59.0210 29.7626 178.9448 150 L 4.0393 7.6471 119.0738 58.2229 42.1559 178.8949 151 E 4.1015 8.5224 118.6691 59.0918 29.3662 179.0478 152 F 4.5862 8.6596 121.0596 61.4375 39.4844 177.1029 153 K 3.7659 8.0861 118.7648 59.5510 32.0006 178.7887 154 L 3.9819 8.0437 118.8285 57.3975 41.4901 179.3701 155 A 4.0138 8.0328 121.1411 55.0378 18.4342 179.9110 156 R 3.7063 7.8659 116.4867 59.4266 29.9371 179.1712 157 I 3.5770 7.4114 118.1947 64.5930 37.1610 177.9188 158 E 4.1547 8.2060 119.8368 59.0633 29.4773 178.5799 159 L 4.3500 7.9806 118.8417 57.2966 41.4753 179.1882 160 S 4.4776 7.9828 116.6075 60.9881 62.4965 176.6783 161 K 3.7654 7.4829 119.8870 58.8338 31.6795 177.7906 162 Y 4.6071 7.8552 114.7888 58.1606 39.6351 176.0018 163 Y 4.2338 8.0421 115.4002 56.7955 38.4050 175.1811 164 N 4.7572 7.8025 115.7398 53.7032 36.9212 173.7717 165 T 4.5231 7.3087 108.7511 60.6475 70.6815 172.1841 166 N 4.7108 8.6163 124.2098 53.1406 38.3879 174.9069 167 L 4.5670 8.8492 126.2438 55.0412 41.8677 177.1447 168 H 4.4612 7.8736 120.7152 55.7794 28.6084 173.0566 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.18 4.58 0.00 4.46 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.73 4.00 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 1.27 0.00 0.00 4 I 7.24 2.00 0.56 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 0.83 -0.09 0.50 0.00 0.00 5 P 0.00 4.32 0.00 2.00 1.92 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 6 S 8.51 4.36 0.00 4.11 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 7 E 7.74 4.81 0.00 1.97 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 2.25 2.28 0.00 8 I 8.44 3.88 1.90 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 1.43 0.87 0.91 0.00 0.00 9 I 7.33 4.36 1.21 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 -0.26 0.00 0.00 10 N 9.01 4.55 0.00 2.75 2.61 0.00 0.00 6.97 5.12 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 11 W 8.49 4.13 0.00 3.41 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.96 4.14 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 1.26 0.00 0.00 13 I 7.58 3.97 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.83 0.00 0.00 14 L 7.69 3.90 0.00 1.42 1.32 0.86 -0.31 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 15 N 8.85 4.48 0.00 3.02 2.94 0.00 0.00 6.98 7.27 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 16 E 7.87 4.06 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 17 I 7.63 4.14 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.89 0.84 0.00 0.00 18 I 8.16 3.92 2.13 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.89 0.99 0.00 0.00 19 S 8.42 4.40 0.00 4.08 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 20 M 7.54 4.57 0.00 1.73 2.33 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 21 D 8.58 5.24 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.69 4.38 0.00 2.71 2.76 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 23 D 7.90 4.70 0.00 2.57 2.64 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 24 D 7.85 4.46 0.00 2.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.83 4.28 0.00 3.91 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 26 D 7.87 5.00 0.00 2.76 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 27 F 8.06 4.59 0.00 3.18 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.24 3.67 0.00 4.11 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.31 3.74 0.00 2.15 1.95 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.65 7.81 30 G 8.18 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.51 3.85 0.00 1.59 1.55 0.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.53 3.68 1.73 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.75 0.00 0.00 33 I 7.64 3.81 1.94 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 1.39 0.79 0.91 0.00 0.00 34 Q 7.96 4.00 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 35 F 8.70 4.13 0.00 3.07 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.98 3.96 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 1.02 0.00 0.00 37 D 7.68 4.30 0.00 2.81 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 38 Q 7.92 3.90 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 39 A 7.61 3.14 -0.20 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 40 Q 7.25 3.82 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 41 T 7.44 3.93 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 1.12 0.00 0.00 42 T 7.85 3.88 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 1.29 0.00 0.00 43 F 7.81 4.51 0.00 2.90 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 44 A 7.83 4.04 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 45 Q 8.00 3.97 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 46 M 8.71 4.18 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 47 Q 8.41 4.01 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 48 R 7.94 3.92 0.00 2.17 1.97 0.00 3.12 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 49 Q 7.57 4.06 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 50 L 7.60 3.93 0.00 1.80 1.73 0.91 1.15 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 51 D 7.81 4.79 0.00 2.59 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.75 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.56 3.94 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 54 K 7.82 3.77 0.00 1.91 1.86 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.60 7.81 55 N 7.64 4.67 0.00 2.73 2.86 0.00 0.00 7.29 6.54 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 56 L 8.41 4.11 0.00 1.68 1.82 0.86 0.78 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 57 T 8.42 3.89 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 1.19 0.00 0.00 58 E 8.41 3.93 0.00 2.19 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 2.39 2.43 0.00 59 L 7.84 4.03 0.00 1.71 1.70 0.91 0.76 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 60 D 7.74 4.27 0.00 2.85 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 61 N 8.40 4.40 0.00 2.89 2.87 0.00 0.00 7.10 7.37 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 62 L 8.39 4.13 0.00 1.68 1.74 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.10 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 64 H 8.29 4.19 0.00 3.58 3.52 0.00 5.80 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 65 F 8.42 4.01 0.00 3.07 3.21 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 66 L 8.01 3.77 0.00 1.99 1.66 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.88 4.06 0.00 1.90 1.93 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 68 G 7.63 3.37 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 0.00 69 S 7.43 3.93 0.00 3.79 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 70 S 7.86 3.41 0.00 4.07 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 71 A 7.87 3.85 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 72 A 7.44 3.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.23 4.13 0.00 1.27 1.43 0.62 0.73 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 74 G 7.59 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.62 4.61 0.00 1.56 1.54 0.58 0.66 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 76 Q 8.25 4.18 0.00 2.38 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 77 R 7.86 4.14 0.00 1.91 2.17 0.00 3.10 0.00 0.00 3.55 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 78 I 7.81 3.91 2.11 0.00 0.00 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 1.82 0.71 1.15 0.00 0.00 79 A 7.91 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.17 4.11 0.00 3.54 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.15 3.73 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 1.15 0.00 0.00 1.50 0.00 0.00 82 C 8.26 4.13 0.00 3.22 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.39 3.86 0.00 2.06 1.88 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 2.15 2.28 0.00 84 R 7.49 3.70 0.00 1.78 1.78 0.00 2.21 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.96 0.00 85 I 7.71 3.59 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.91 0.00 0.00 86 Q 8.13 3.90 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 87 N 8.09 4.29 0.00 2.66 2.79 0.00 0.00 7.16 6.45 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 88 L 8.38 4.17 0.00 1.82 1.77 0.81 0.82 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 89 G 7.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.48 4.24 0.00 1.86 1.89 0.00 3.26 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 91 K 6.97 3.36 0.00 1.55 1.47 0.00 1.42 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.79 7.81 92 M 7.97 4.44 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 93 E 7.78 4.81 0.00 1.82 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 94 H 8.91 5.14 0.00 3.25 3.38 0.00 5.87 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 95 F 7.79 5.07 0.00 3.16 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 96 F 8.46 4.39 0.00 2.85 2.94 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 97 P 0.00 4.50 0.00 1.84 2.09 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.24 0.00 98 N 8.32 4.78 0.00 2.79 2.75 0.00 0.00 6.43 6.99 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 99 K 8.59 3.93 0.00 1.87 1.85 0.00 1.88 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.61 7.81 100 T 7.93 3.84 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 1.21 0.00 0.00 101 E 8.06 3.92 0.00 1.95 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 0.00 2.27 2.39 0.00 102 L 7.67 4.01 0.00 1.84 1.78 0.77 1.10 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 0.00 103 V 8.42 3.64 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 1.00 0.00 0.00 1.00 0.00 0.00 104 N 7.75 4.51 0.00 3.03 2.80 0.00 0.00 7.22 8.78 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 0.00 105 T 7.68 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 106 L 7.19 4.10 0.00 1.80 1.67 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 S 9.21 4.16 0.00 3.89 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 0.00 108 D 7.83 4.68 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.59 4.28 0.00 1.86 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.45 7.81 110 S 8.55 4.16 0.00 4.10 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 0.00 111 I 7.22 3.93 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 1.00 0.00 0.00 112 I 7.50 4.43 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.92 0.00 0.00 113 N 8.03 4.41 0.00 2.92 2.80 0.00 0.00 7.15 7.56 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 0.00 114 G 9.10 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 0.00 115 I 6.90 4.15 2.05 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 1.20 0.69 0.93 0.00 0.00 116 N 8.02 4.73 0.00 2.90 2.75 0.00 0.00 7.25 7.70 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 0.00 117 I 8.36 3.81 1.89 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 1.43 0.72 0.93 0.00 0.00 118 D 7.86 4.89 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.88 3.91 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.26 1.01 7.81 132 D 6.96 4.48 0.00 2.85 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.96 4.00 0.00 2.00 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 2.37 2.38 0.00 134 N 8.42 4.88 0.00 3.07 2.92 0.00 0.00 6.90 7.29 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 0.00 135 S 7.75 4.11 0.00 4.02 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 0.00 136 I 7.64 3.77 1.75 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 1.46 0.95 0.44 0.00 0.00 137 Y 8.03 4.07 0.00 3.29 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 0.00 138 L 7.96 4.08 0.00 1.85 1.72 0.94 0.92 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 0.00 139 I 7.71 3.79 1.98 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 1.51 1.10 0.91 0.00 0.00 140 L 7.85 4.17 0.00 1.70 1.71 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.88 3.55 1.89 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 1.38 0.78 0.85 0.00 0.00 142 A 7.97 3.92 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 0.00 143 K 7.78 3.97 0.00 1.99 1.99 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.63 7.81 144 A 7.36 3.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.95 3.76 0.00 1.65 1.55 0.65 0.87 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 0.00 146 N 7.70 4.25 0.00 3.02 3.03 0.00 0.00 6.65 7.53 0.00 0.00 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 Q 7.79 4.19 0.00 2.38 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.78 2.66 0.00 148 S 8.01 4.23 0.00 3.82 3.86 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 0.00 149 R 7.78 3.75 0.00 1.70 1.91 0.00 3.14 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.36 0.00 150 L 7.65 4.04 0.00 1.83 1.86 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.52 4.10 0.00 2.32 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 0.00 2.75 2.61 0.00 152 F 8.66 4.59 0.00 3.48 3.46 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 0.00 153 K 8.09 3.77 0.00 1.93 1.98 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 154 L 8.04 3.98 0.00 1.92 1.72 0.94 0.95 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 0.00 155 A 8.03 4.01 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 0.00 156 R 7.87 3.71 0.00 1.73 1.75 0.00 3.13 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.12 0.00 157 I 7.41 3.58 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.49 0.91 0.00 0.00 158 E 8.21 4.15 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 159 L 7.98 4.35 0.00 1.84 1.79 0.88 0.90 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 0.00 160 S 7.98 4.48 0.00 4.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.48 3.77 0.00 0.79 1.24 0.00 1.45 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.39 7.81 162 Y 7.86 4.61 0.00 3.20 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 0.00 163 Y 8.04 4.23 0.00 3.12 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 0.00 164 N 7.80 4.76 0.00 2.84 2.88 0.00 0.00 6.60 7.21 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 0.00 165 T 7.31 4.52 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 1.40 0.00 0.00 166 N 8.62 4.71 0.00 2.82 2.72 0.00 0.00 6.92 6.66 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 0.00 167 L 8.85 4.57 0.00 1.80 1.62 0.86 0.84 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 0.00 168 H 7.87 4.46 0.00 3.03 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.91 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.