NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2668 8.1744 110.9409 61.6701 70.1943 172.2089 4 S 4.2621 8.0302 116.5309 56.8456 64.2286 174.0067 5 K 4.3353 8.9556 125.8953 57.2040 32.5745 177.6208 6 K 3.9555 7.9483 122.2858 59.6367 32.3049 179.9520 7 E 3.9921 7.9155 119.4624 56.3124 29.2618 178.5862 *9 I 4.1498 7.9910 118.6339 61.1292 39.4281 178.0311 10 L 3.8514 7.6790 119.4562 58.0979 41.3016 179.9847 11 R 3.9080 8.0818 117.6587 59.5150 29.9370 179.3056 12 T 3.8748 7.9028 114.7879 66.5096 68.6752 176.2505 13 A 3.9655 8.7296 123.3477 55.3014 18.3602 179.5767 14 I 3.6332 8.3593 118.5023 64.6979 37.2162 178.1672 15 D 4.2895 8.3943 118.8863 57.3548 41.1636 177.1983 16 Y 4.1192 8.7615 120.8890 61.0975 38.2700 178.4695 17 I 4.2156 8.0748 112.9951 63.3456 37.6659 177.9617 18 G 3.5724 7.8475 107.4282 47.9442 0.0000 175.0411 19 E 3.8550 8.0007 121.9536 55.8031 29.8268 177.0724 20 Y 4.4763 7.4772 110.5321 57.4207 38.0873 177.4309 21 S 4.7951 8.7430 122.1178 59.6811 66.5474 175.6341 22 L 4.1860 8.3244 121.0153 58.3044 42.0441 179.4190 23 E 4.0797 8.1964 114.8534 58.9775 29.5876 177.5756 24 T 4.2198 7.8004 114.6552 63.9180 69.1734 174.5552 25 L 3.6025 7.6764 124.8833 54.4085 42.3547 176.3840 26 S 4.5505 8.2384 120.2557 55.7109 67.1838 174.4356 27 Y 4.0300 8.3958 118.8567 61.5260 37.5892 178.4333 28 D 4.4773 8.3418 119.1566 57.8519 41.0004 179.3130 29 S 4.0689 7.9673 114.2741 61.4036 62.8702 176.2080 30 L 3.8326 8.2882 123.9938 57.3179 41.4909 178.8044 31 A 3.9853 8.3493 120.7641 55.0130 18.5892 178.7204 32 E 4.0091 8.1982 117.5185 59.6701 29.5438 179.0293 33 A 4.1700 7.9625 119.1712 54.4210 18.4929 178.5119 34 T 4.5047 7.5795 105.4488 60.5151 69.7012 174.6447 35 G 4.0338 7.5564 108.8320 46.4756 0.0000 173.4834 36 L 4.4902 7.5389 119.3439 53.3522 43.5881 176.5354 37 S 4.7823 8.0410 113.8579 56.8798 66.1764 174.7096 38 K 3.8755 8.4863 123.3478 59.8104 31.8578 178.7971 39 S 4.1160 8.0953 112.8649 61.3391 62.5405 175.8788 40 G 3.8340 8.8294 109.2184 48.1399 0.0000 175.4998 41 L 4.3722 8.3355 121.8304 57.6772 41.5082 179.7664 42 I 4.0952 7.9445 120.1686 63.7515 36.9567 177.4514 43 Y 4.1323 7.8626 119.9777 61.3410 38.6989 177.8146 44 H 4.1675 7.6919 114.6962 57.3483 29.6629 175.8956 45 F 4.9474 8.4054 119.7174 54.0582 39.5529 173.0434 46 P 4.4450 0.0000 0.0000 65.3021 31.2223 177.5690 47 S 5.0081 7.7772 113.6494 55.5373 67.2590 174.6759 48 R 3.6605 8.6788 121.8152 59.4693 29.8071 177.6852 49 H 4.1516 8.4782 117.6341 59.6399 29.8919 176.8773 50 A 4.1797 7.9697 122.1321 54.8642 17.9233 179.3310 51 L 3.0363 7.3020 118.3325 57.7474 42.1480 178.7590 52 L 3.8999 7.7702 118.4367 57.4298 41.7183 178.8053 53 L 4.2927 8.0801 120.5108 57.9779 41.9884 179.3292 54 G 3.8379 7.6811 102.1971 46.3268 0.0000 174.5087 *56 H 4.5832 8.0406 118.3509 55.6663 30.9750 175.3178 57 E 3.7427 8.2910 118.9427 59.5953 29.2594 179.4922 58 L 3.9415 7.9706 120.0376 57.9606 41.9911 178.8166 59 L 4.0844 7.6601 118.1633 57.2584 41.8257 178.8881 60 A 3.7240 7.3389 120.7249 54.8200 18.0651 179.4981 61 D 4.2475 7.7939 117.1399 57.5747 41.0295 178.3581 62 D 4.5084 8.1748 119.4294 57.2059 40.6714 179.0139 63 W 4.1859 7.9463 128.5261 60.3476 30.9213 177.3417 64 D 4.1242 8.1623 118.1370 57.3900 40.5403 178.3327 65 K 3.8189 8.4847 120.0177 59.8052 31.9866 178.2395 66 E 3.9025 8.0497 117.7464 59.1496 29.2836 178.4659 67 L 3.8772 7.9116 119.6526 57.1985 41.8019 179.1380 68 R 4.3088 7.7792 115.3332 58.3726 29.5608 177.8569 69 D 4.5584 8.0210 117.9829 56.1655 41.3004 176.1407 70 I 4.4629 7.1624 115.4664 60.9582 39.1970 175.3347 71 T 4.5033 7.5795 117.6961 62.3772 67.6602 174.8941 72 R 3.8779 8.2134 126.9652 58.0589 30.6458 177.3242 73 D 4.7548 7.7307 125.8815 51.9472 41.0975 174.6551 74 P 4.6101 0.0000 0.0000 63.3813 31.7306 177.5556 75 E 3.9653 8.2740 119.9789 59.2135 29.8202 177.1432 76 D 4.5527 8.3098 119.5989 52.9008 41.8560 175.0103 77 P 4.3208 0.0000 0.0000 65.9718 31.4255 178.2954 78 L 4.1432 8.1042 118.2148 57.2127 41.6363 178.9068 79 E 4.0420 8.2311 119.5175 59.0729 29.6751 178.7990 80 R 4.2358 8.1500 116.3590 59.1907 29.7435 178.4132 81 L 4.0972 7.9434 120.6437 58.0282 41.9628 179.0840 82 R 3.9330 8.0276 118.2950 59.1966 29.9844 178.3936 83 A 3.9645 8.0103 120.2236 55.0542 18.3394 179.2929 84 V 3.6236 8.2402 117.2846 66.6141 31.5239 178.2240 85 V 3.6068 7.6937 116.9509 66.1473 31.1792 178.2944 86 V 3.5871 7.7331 118.0391 66.1978 31.4713 178.0512 87 T 3.9481 8.6437 109.4127 64.0218 68.5397 176.8136 88 L 3.6341 8.1121 122.0058 57.3747 41.7480 178.5099 89 A 4.3811 7.9034 118.6617 53.0863 18.9474 177.6322 90 E 4.4199 7.7902 114.7895 57.4357 31.8942 176.8561 91 N 4.8530 7.8404 112.9107 52.6447 38.9390 174.7562 92 V 4.4128 7.4075 110.5665 59.4631 35.8553 175.6400 93 S 4.7624 8.0555 118.0157 56.9649 64.2027 174.8506 94 R 2.9916 8.6786 115.7134 58.9815 29.8085 176.9839 95 P 4.1574 0.0000 0.0000 65.8874 31.3823 178.1184 96 E 4.1054 8.2061 116.4613 59.4157 29.3473 179.1060 97 L 3.9773 7.5661 119.9523 58.2147 42.1395 178.9044 98 L 3.9060 7.9832 119.1610 57.7459 41.5207 179.6363 99 L 3.9315 8.2279 119.0845 57.7469 41.3940 179.2953 100 L 3.5147 7.5990 117.4503 57.9893 41.6477 179.4833 101 I 3.8348 7.6690 118.2403 64.4636 37.3047 177.7872 102 D 4.4922 8.4586 118.7299 56.8708 40.8685 177.7642 103 A 4.2745 8.4703 122.4354 54.9155 18.1995 177.5126 104 P 4.5376 0.0000 0.0000 64.5430 31.4986 177.5593 105 S 4.5292 8.1981 113.4178 58.6168 63.5176 173.4323 106 H 4.2908 8.1793 120.8064 54.3885 33.3844 172.6898 107 P 4.1625 0.0000 0.0000 65.7864 31.0896 177.9882 108 D 4.4365 8.1346 116.1234 57.3573 40.9344 178.4956 109 F 4.6196 8.2890 118.6903 60.7124 38.8911 177.2551 110 L 4.1509 8.2524 118.0295 58.4609 41.5493 179.0542 111 N 4.3370 8.4862 115.7034 56.6271 38.3544 176.8687 112 A 4.2080 7.7439 120.1259 53.2732 18.7489 177.8859 113 W 4.6111 8.2672 117.4007 56.2682 29.6552 178.4010 114 R 3.7731 7.7560 117.0125 59.4326 28.5314 177.8317 115 T 3.8547 7.4395 115.2296 66.2856 68.8641 176.0131 116 V 3.8405 7.7308 124.6435 64.2151 31.5575 176.7195 117 N 4.7704 7.8263 116.4373 53.8075 39.4304 174.9579 118 H 4.7914 8.4368 114.0400 57.5283 30.7138 175.1339 119 Q 4.0665 7.9873 114.0066 56.2613 28.6919 176.3237 120 W 5.2556 7.6297 114.6394 56.5455 33.1267 175.0629 121 I 4.2956 7.7947 119.3341 59.0621 37.5181 173.8676 122 P 4.5921 0.0000 0.0000 62.5935 32.0726 174.7434 123 D 4.8405 8.2572 117.9106 51.6329 41.2010 177.8823 124 T 3.6412 8.1860 121.2613 61.8498 65.8442 175.1274 125 D 4.5749 7.6051 121.7505 53.0668 41.7371 176.6601 126 D 4.8745 8.7185 127.3064 53.7870 39.6330 175.0304 127 L 3.8686 7.6658 117.6876 57.7466 41.8619 177.9342 128 E 4.0941 8.4075 119.7246 59.1540 29.4539 176.0828 129 N 4.7028 7.0120 115.5614 49.5362 38.8788 171.8320 130 D 4.4974 7.7794 113.4416 51.9886 43.2693 176.1049 131 A 4.0398 8.2205 129.6180 55.3799 18.3476 178.5110 132 H 4.0988 8.3157 115.9410 59.1882 30.1111 177.1448 133 K 3.8743 8.3788 121.2586 59.7786 31.8968 178.6734 134 R 4.0305 7.9628 115.4308 59.1579 29.1193 178.3395 135 A 4.0725 8.0688 120.7403 54.0409 18.2038 179.4274 136 V 3.6740 7.6479 117.1399 65.6539 31.6111 177.4949 137 Y 4.0691 7.9861 119.5465 60.1661 38.6428 176.9373 138 L 3.9013 8.2238 121.7065 58.4502 42.0129 179.2502 139 V 3.5879 7.2760 117.7068 65.9111 31.3505 177.7841 140 Q 3.8196 7.4932 117.7671 59.1079 28.9360 177.7241 141 L 3.8370 8.0666 120.1543 58.1868 41.8200 179.6789 142 A 4.0205 8.4848 120.3266 54.9514 18.1770 179.5481 143 A 3.9582 8.3658 119.7480 55.4124 18.4970 179.4427 144 D 4.5871 8.5486 117.9755 57.7399 40.8635 179.2946 145 G 3.7622 8.2248 106.0156 47.7378 0.0000 175.0941 146 L 4.2010 7.6676 121.0116 57.1094 42.2629 178.2483 147 F 4.5552 8.3760 120.6137 61.0882 39.6319 176.7943 148 V 3.7283 7.9407 110.6688 62.3551 31.8273 177.6013 149 H 3.8788 7.7788 118.7141 59.7277 29.5091 176.3833 150 D 4.2131 7.6708 118.0229 56.1080 40.7461 176.9915 151 Y 4.5777 7.5369 115.5764 57.8118 38.8938 175.9798 152 I 4.3141 7.4410 118.8359 61.4398 39.6027 175.7789 153 H 4.6568 7.7407 114.2890 54.5088 30.3412 173.4823 154 D 4.1927 7.7590 117.7882 53.4547 39.2420 173.0923 155 D 4.6897 7.2787 117.3223 53.2256 43.2897 176.1233 156 V 3.6455 7.8371 112.7290 61.8371 32.4889 176.8916 157 L 4.1481 8.6514 125.6617 54.1678 42.2414 178.0272 158 S 4.2946 8.4590 117.6765 57.9272 65.0330 175.3799 159 K 3.8526 8.6688 123.3700 60.0934 31.8619 179.4508 160 S 4.1239 7.9479 113.5950 61.4727 62.9134 176.4842 161 K 4.0177 7.7506 120.7755 58.7819 31.8141 179.1097 162 R 3.9946 7.9806 118.8182 59.3515 30.2637 178.2789 163 Q 4.1461 8.0964 117.6975 58.7980 28.8283 178.5173 164 A 3.8542 7.7702 118.7497 53.4422 18.5336 178.5938 *166 L 4.1460 7.7574 122.1296 56.1375 44.0237 178.5340 167 E 3.9469 8.5095 118.4326 60.1467 29.1110 179.7830 168 T 4.1153 7.4984 115.2470 66.0626 68.7959 176.5903 169 I 3.8582 7.6605 121.1947 64.3628 37.3154 178.1047 170 L 4.0144 8.1098 120.2187 57.9350 40.9958 179.5457 171 E 4.1071 8.4535 117.1474 58.7711 29.0925 177.8363 172 L 4.4653 7.4290 119.7672 53.3245 42.2610 176.7988 173 I 3.8243 7.9803 119.3680 61.2911 36.6880 174.0863 174 P 4.4613 0.0000 0.0000 62.9906 31.0880 175.7005 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 T 8.17 4.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 S 8.03 4.26 0.00 3.84 3.72 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 5 K 8.96 4.34 0.00 1.84 1.87 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.41 7.81 6 K 7.95 3.96 0.00 1.59 1.75 0.00 1.42 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.43 1.06 7.81 7 E 7.92 3.99 0.00 2.05 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 0.00 2.40 2.35 0.00 *9 I 7.99 4.15 2.24 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 1.05 0.00 0.00 10 L 7.68 3.85 0.00 1.96 1.72 0.62 1.12 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 11 R 8.08 3.91 0.00 1.85 1.99 0.00 3.30 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 1.72 1.85 0.00 12 T 7.90 3.87 4.40 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 1.30 0.00 0.00 13 A 8.73 3.97 1.26 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 0.00 0.00 14 I 8.36 3.63 2.00 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 1.39 0.49 0.91 0.00 0.00 15 D 8.39 4.29 0.00 3.00 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 16 Y 8.76 4.12 0.00 3.23 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.07 4.22 1.94 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 1.59 0.67 1.16 0.00 0.00 18 G 7.85 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.00 3.86 0.00 1.75 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 1.47 1.91 0.00 20 Y 7.48 4.48 0.00 2.63 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 0.00 0.00 0.00 0.00 21 S 8.74 4.80 0.00 4.05 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 22 L 8.32 4.19 0.00 1.71 1.70 0.91 0.77 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 23 E 8.20 4.08 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 2.31 2.30 0.00 24 T 7.80 4.22 4.40 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 1.30 0.00 0.00 25 L 7.68 3.60 0.00 1.77 1.68 0.73 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.24 4.55 0.00 4.00 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 27 Y 8.40 4.03 0.00 3.03 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 28 D 8.34 4.48 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.97 4.07 0.00 3.91 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 30 L 8.29 3.83 0.00 1.51 1.83 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.35 3.99 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 32 E 8.20 4.01 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 33 A 7.96 4.17 1.42 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 0.00 0.00 0.00 34 T 7.58 4.50 4.29 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 1.25 0.00 0.00 35 G 7.56 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.54 4.49 0.00 1.72 1.70 1.02 0.70 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 37 S 8.04 4.78 0.00 4.03 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 38 K 8.49 3.88 0.00 1.84 1.82 0.00 1.63 0.00 0.00 1.94 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.32 7.81 39 S 8.10 4.12 0.00 3.90 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 40 G 8.83 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 41 L 8.34 4.37 0.00 2.12 2.08 1.03 1.22 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 42 I 7.94 4.10 2.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.88 0.00 0.00 43 Y 7.86 4.13 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.69 4.17 0.00 3.09 2.54 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.41 4.95 0.00 3.40 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 46 P 0.00 4.44 0.00 2.22 2.22 0.00 3.80 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 2.08 1.99 0.00 47 S 7.78 5.01 0.00 4.13 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 48 R 8.68 3.66 0.00 1.86 1.96 0.00 3.03 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 49 H 8.48 4.15 0.00 3.28 3.37 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.97 4.18 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.30 3.04 0.00 1.31 1.62 0.57 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.77 3.90 0.00 1.69 1.16 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0.00 0.00 70 I 7.16 4.46 2.03 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 1.29 0.78 0.90 0.00 0.00 71 T 7.58 4.50 4.46 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 1.37 0.00 0.00 72 R 8.21 3.88 0.00 1.81 1.97 0.00 3.15 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 73 D 7.73 4.75 0.00 2.75 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 74 P 0.00 4.61 0.00 2.21 2.23 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 75 E 8.27 3.97 0.00 2.23 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 2.34 2.27 0.00 76 D 8.31 4.55 0.00 2.75 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 77 P 0.00 4.32 0.00 2.34 2.31 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 78 L 8.10 4.14 0.00 2.01 1.79 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.23 4.04 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 80 R 8.15 4.24 0.00 2.51 2.39 0.00 2.81 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 81 L 7.94 4.10 0.00 1.96 1.95 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.03 3.93 0.00 2.14 2.08 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 83 A 8.01 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.24 3.62 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 1.19 0.00 0.00 1.23 0.00 0.00 85 V 7.69 3.61 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 0.98 0.00 0.00 86 V 7.73 3.59 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 0.97 0.00 0.00 0.99 0.00 0.00 87 T 8.64 3.95 4.07 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 1.25 0.00 0.00 88 L 8.11 3.63 0.00 1.88 1.78 0.99 0.46 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 89 A 7.90 4.38 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 90 E 7.79 4.42 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 91 N 7.84 4.85 0.00 2.60 2.59 0.00 0.00 6.85 7.78 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 92 V 7.41 4.41 1.67 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 -0.52 0.00 0.00 0.37 0.00 0.00 93 S 8.06 4.76 0.00 3.97 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 94 R 8.68 2.99 0.00 1.71 1.78 0.00 3.22 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.00 95 P 0.00 4.16 0.00 2.18 2.11 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.36 0.00 96 E 8.21 4.11 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 97 L 7.57 3.98 0.00 1.23 1.38 0.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.98 3.91 0.00 1.77 1.66 0.83 0.74 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 99 L 8.23 3.93 0.00 1.93 1.86 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.60 3.51 0.00 1.74 1.58 0.99 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.67 3.83 2.07 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 1.39 0.43 0.91 0.00 0.00 102 D 8.46 4.49 0.00 2.92 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 0.00 103 A 8.47 4.27 1.54 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 0.00 0.00 104 P 0.00 4.54 0.00 2.28 2.23 0.00 3.90 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 2.03 2.05 0.00 105 S 8.20 4.53 0.00 4.14 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.18 4.29 0.00 2.81 2.09 0.00 5.82 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 0.00 107 P 0.00 4.16 0.00 2.10 2.04 0.00 3.28 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 108 D 8.13 4.44 0.00 2.52 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 0.00 109 F 8.29 4.62 0.00 3.34 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 0.00 110 L 8.25 4.15 0.00 1.91 1.81 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.49 4.34 0.00 3.06 2.93 0.00 0.00 7.05 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.74 4.21 1.26 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 0.00 0.00 113 W 8.27 4.61 0.00 3.60 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.76 3.77 0.00 1.84 2.10 0.00 3.22 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 115 T 7.44 3.85 4.29 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 1.43 0.00 0.00 116 V 7.73 3.84 1.76 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 0.84 0.00 0.00 -0.40 0.00 0.00 117 N 7.83 4.77 0.00 2.85 2.98 0.00 0.00 6.77 8.50 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 0.00 118 H 8.44 4.79 0.00 3.19 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.99 4.07 0.00 1.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.87 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 120 W 7.63 5.26 0.00 3.37 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 0.00 121 I 7.79 4.30 2.06 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 1.48 0.42 1.03 0.00 0.00 122 P 0.00 4.59 0.00 2.38 2.19 0.00 3.82 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 123 D 8.26 4.84 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.19 3.64 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 1.12 0.00 0.00 125 D 7.61 4.57 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.72 4.87 0.00 2.73 2.59 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 0.00 127 L 7.67 3.87 0.00 1.77 1.72 0.59 0.59 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 0.00 128 E 8.41 4.09 0.00 2.23 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 2.40 2.41 0.00 129 N 7.01 4.70 0.00 2.63 2.71 0.00 0.00 6.89 7.94 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 0.00 130 D 7.78 4.50 0.00 2.62 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 0.00 131 A 8.22 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.32 4.10 0.00 3.30 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.38 3.87 0.00 2.09 1.81 0.00 1.95 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.54 7.81 134 R 7.96 4.03 0.00 2.15 2.19 0.00 2.84 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 135 A 8.07 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.65 3.67 2.30 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 1.05 0.00 0.00 0.85 0.00 0.00 137 Y 7.99 4.07 0.00 3.15 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 0.00 138 L 8.22 3.90 0.00 1.94 1.84 0.93 1.05 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 0.00 139 V 7.28 3.59 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 1.03 0.00 0.00 1.00 0.00 0.00 140 Q 7.49 3.82 0.00 2.06 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.47 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 141 L 8.07 3.84 0.00 1.84 1.70 0.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.48 4.02 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 0.00 143 A 8.37 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.55 4.59 0.00 2.92 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 0.00 145 G 8.22 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 0.00 0.00 0.00 146 L 7.67 4.20 0.00 1.69 1.89 0.88 0.73 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 0.00 147 F 8.38 4.56 0.00 2.96 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 0.00 148 V 7.94 3.73 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 0.53 0.00 0.00 0.99 0.00 0.00 149 H 7.78 3.88 0.00 3.27 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.67 4.21 0.00 1.71 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 0.00 151 Y 7.54 4.58 0.00 2.81 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 0.00 152 I 7.44 4.31 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.40 0.62 0.00 0.00 153 H 7.74 4.66 0.00 2.97 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 7.76 4.19 0.00 2.71 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 0.00 155 D 7.28 4.69 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.84 3.65 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 0.65 0.00 0.00 0.88 0.00 0.00 157 L 8.65 4.15 0.00 1.69 1.54 0.70 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.46 4.29 0.00 4.02 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 0.00 159 K 8.67 3.85 0.00 1.79 1.93 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.52 7.81 160 S 7.95 4.12 0.00 4.03 4.10 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 0.00 161 K 7.75 4.02 0.00 1.75 1.87 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.41 7.81 162 R 7.98 3.99 0.00 1.80 2.16 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 163 Q 8.10 4.15 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 164 A 7.77 3.85 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 *166 L 7.76 4.15 0.00 1.82 1.95 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.51 3.95 0.00 2.20 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 2.33 2.52 0.00 168 T 7.50 4.12 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 1.29 0.00 0.00 169 I 7.66 3.86 2.00 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 1.64 0.81 0.91 0.00 0.00 170 L 8.11 4.01 0.00 1.86 1.74 0.93 0.97 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 0.00 171 E 8.45 4.11 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 172 L 7.43 4.47 0.00 1.82 1.99 0.93 0.92 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 0.00 173 I 7.98 3.82 2.17 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 1.32 0.83 0.94 0.00 0.00 174 P 0.00 4.46 0.00 2.11 2.05 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.