NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7100 8.2785 117.7899 52.0863 39.2117 176.7581 0 A 3.8404 8.6401 117.5230 56.2739 18.2551 177.7254 1 N 4.1509 8.8157 115.8005 56.5420 39.1048 176.0490 2 R 3.4834 7.7805 118.7722 59.1888 30.2544 178.5983 3 D 4.3798 8.2503 118.8450 57.6927 40.6244 179.2164 4 S 4.1109 7.9328 114.3458 61.2700 62.8100 176.3855 5 L 4.0989 7.4204 120.7941 56.8468 41.6533 178.3719 6 F 5.2116 8.2748 115.1437 57.2694 40.3510 175.9854 7 N 5.0036 8.0648 115.6590 52.7046 39.5294 173.7057 8 D 4.5715 8.1555 119.2191 52.6955 41.4625 175.1460 9 P 4.3178 0.0000 0.0000 65.0778 31.5190 176.3866 10 N 4.5857 8.6929 116.6852 53.1271 38.8425 173.7162 11 A 4.7393 7.5984 120.2883 49.6826 21.0417 175.1964 12 P 4.2179 0.0000 0.0000 62.8239 32.7284 175.3869 13 V 4.7424 8.1818 122.4862 61.2182 33.7154 174.4413 14 L 4.5960 8.9759 127.4688 53.2425 45.3928 176.8287 15 G 3.8395 8.6449 106.5819 46.5805 0.0000 173.2892 16 N 4.7007 8.8107 122.4740 51.5781 39.3798 174.8529 17 P 4.2971 0.0000 0.0000 64.7632 31.6439 176.9879 18 E 4.6233 8.1927 116.9558 55.6669 29.8138 176.4613 19 G 4.0905 7.8628 108.3444 45.6455 0.0000 174.0421 20 D 4.6290 8.3240 119.9491 53.7604 40.4930 176.3822 21 V 4.4540 7.5114 120.0184 61.4890 34.8714 173.8174 22 T 4.7938 8.9997 125.0608 62.0682 70.5338 173.6582 23 V 4.8546 8.9066 126.9646 61.2563 33.8485 174.2909 24 V 5.0951 9.3399 128.4578 61.3036 33.8877 173.7889 25 E 5.0227 9.4105 128.2363 54.4600 32.6349 174.1831 26 F 5.1973 9.1542 125.9551 55.8771 41.3161 174.9043 27 F 5.1492 7.9120 116.9838 55.7938 42.0809 172.5234 28 D 4.9360 8.4448 117.6402 52.6930 44.0183 175.7151 29 Y 4.2920 8.9475 122.6492 60.1312 38.1298 176.2311 30 N 4.7879 8.7973 116.4578 52.9990 39.3254 174.5683 31 C 4.3761 8.0285 120.7067 57.9950 32.5485 172.1661 32 P 4.1876 0.0000 0.0000 66.0384 31.0215 178.2733 33 Y 4.1109 7.9239 114.9050 60.8622 37.6109 177.8506 34 C 4.3044 8.1841 116.8745 62.9861 28.3901 175.7668 35 R 4.1157 8.0052 118.5796 59.2660 29.6935 178.8086 36 R 4.0725 7.9577 117.5365 58.8436 31.2355 178.2237 37 A 4.5190 8.9942 121.8526 57.5483 15.6138 178.1408 39 A 3.4114 7.5715 124.9890 54.4733 19.9780 179.6568 40 E 3.9619 8.0390 118.8258 59.5480 29.5655 179.5088 41 V 3.6487 8.2029 118.5248 66.1639 31.7199 177.9696 42 Q 3.9732 8.2200 117.4962 58.8437 28.4931 179.0479 43 G 3.7785 8.1482 107.9806 47.0873 0.0000 175.1779 44 L 3.9018 8.0741 123.4702 58.0932 41.8761 179.2744 45 V 3.6075 7.7267 116.4987 66.2199 31.4751 177.3998 46 D 4.4622 8.0665 117.6122 56.8980 40.7536 178.0843 47 A 4.4776 7.8453 120.5619 52.7622 19.3194 176.4164 48 D 4.6428 8.2180 117.1909 51.8319 41.8824 173.8029 49 P 4.6609 0.0000 0.0000 63.4227 31.6146 176.1883 50 N 4.9592 8.6605 117.7818 53.5270 40.3741 173.1127 51 V 4.6065 7.4772 116.3725 60.6158 33.9959 174.1939 52 R 4.8028 8.8410 128.8750 54.8238 32.0337 174.4339 53 L 5.2258 8.8335 128.2928 53.3658 44.9059 174.8372 54 V 4.7746 9.1295 127.0539 61.4337 33.8904 173.6912 55 Y 5.5899 8.6435 125.4527 56.5675 40.2005 175.3948 56 R 4.2912 8.5859 123.4913 54.0627 32.4640 175.2155 57 E 3.3964 8.7343 125.0164 55.6159 30.4210 176.3736 58 W 5.4576 8.2114 135.0000 54.6788 30.2037 171.3793 59 P 4.6681 0.0000 0.0000 62.4021 31.3710 177.1334 60 I 4.3526 9.3244 116.6115 59.9148 38.7769 175.7332 61 L 4.4625 8.0999 120.0686 54.6932 42.1926 174.8182 62 G 3.8069 7.9579 105.5106 44.4505 0.0000 174.6113 63 E 4.1176 9.0963 117.7821 59.2577 29.3234 179.4457 64 G 3.6845 7.9467 106.7651 47.4109 0.0000 175.7042 65 S 4.2398 8.1097 117.4707 61.3538 62.8082 176.1664 66 D 4.3505 8.3938 120.7480 57.2180 40.9045 177.9470 67 F 3.9203 8.5674 121.0412 61.2718 39.3461 176.7998 68 A 4.0004 8.5547 120.2879 55.2312 18.2094 179.3869 69 A 4.5915 8.3081 120.6049 55.0081 18.4508 180.0610 70 R 3.8559 8.3031 116.4982 59.3021 30.1199 179.1673 71 A 3.9772 8.2707 120.6544 55.0441 18.1954 179.4839 72 A 4.0522 8.0951 118.3445 55.5086 18.9548 179.5251 73 L 4.2116 8.3122 117.2891 58.0151 41.7146 179.6464 74 A 4.0673 8.6531 120.8825 55.0356 18.3005 179.3589 75 A 4.1114 8.2572 118.9450 54.7748 18.3830 179.7805 76 R 4.0401 8.1140 116.7626 59.5406 29.8855 178.8416 77 Q 4.2142 8.1979 116.4622 57.6970 28.7283 176.8974 78 Q 4.4530 7.7361 117.1742 54.9797 29.3832 175.7244 79 G 3.9806 8.1363 105.7171 46.7604 0.0000 174.5120 80 K 4.6699 7.8785 115.6768 55.3853 33.9137 177.7026 81 Y 4.0963 8.4872 121.3562 61.0004 38.5860 177.6820 82 E 3.6215 8.3386 119.1249 59.2701 29.8674 178.4529 83 A 4.2091 8.0356 120.2735 55.1846 18.4275 179.2554 84 F 4.4133 8.3090 119.2119 61.5707 39.2301 176.7234 85 H 3.7068 7.9274 117.2177 59.1691 29.6564 176.9225 86 W 4.7082 7.6882 118.8162 59.7927 28.8987 178.1534 87 A 4.3046 7.9540 120.0297 54.9303 17.8915 180.1490 88 L 3.9992 7.7160 113.6779 54.9326 42.6905 178.5172 *90 G 3.6411 7.7631 106.7420 45.3376 0.0000 172.6568 *92 S 3.9668 7.7206 112.6424 59.4067 63.7827 174.1777 93 G 3.8499 8.6972 114.3488 44.3008 0.0000 172.2122 94 K 4.1207 8.1505 119.1370 55.8784 32.3234 177.1215 95 A 4.2564 9.3134 130.0542 51.3150 17.1751 175.9180 96 N 5.0268 7.9247 118.4883 50.5890 41.2223 175.2814 97 E 2.5400 8.4898 117.3899 59.4484 29.2628 178.9138 98 T 3.9362 7.6312 109.2111 64.6112 68.9752 176.6940 99 G 3.5130 8.6066 108.9314 47.3631 0.0000 175.8876 100 V 3.6703 8.3249 121.1611 65.9209 31.6429 178.2070 101 L 4.0934 8.0330 118.6729 57.5353 41.3719 179.4078 102 R 3.8434 8.0282 118.8095 59.6742 30.0908 178.5422 103 I 3.7540 7.9431 119.2160 64.3411 37.0878 178.1325 104 A 3.3934 8.4278 121.7078 55.0977 18.0619 179.7334 105 R 3.8087 7.8443 116.3077 59.6832 29.9852 178.9653 106 E 3.9586 7.9132 116.6593 59.3503 29.5724 179.0725 107 V 4.1305 7.6492 109.2512 61.0713 31.9135 176.8557 108 G 3.8856 7.9924 107.4164 45.4352 0.0000 173.8754 109 L 4.1125 7.4773 119.0762 53.9512 42.2386 177.1850 110 D 4.4845 9.0577 122.5992 54.1309 41.6699 177.3655 111 T 3.9678 8.4030 118.9872 64.2822 69.1239 176.5872 112 E 3.9540 8.1662 121.5514 59.3149 29.5291 178.7514 113 Q 3.9137 8.5169 119.6649 58.9547 28.9319 177.6207 114 L 3.9110 7.8129 120.3826 58.6757 42.1512 178.9353 115 Q 4.0997 8.0452 116.1570 58.6202 28.6256 178.7094 116 R 4.0714 7.5917 118.2858 59.0187 31.3938 179.3114 117 D 4.6035 8.2777 119.8642 54.1129 37.9474 177.5744 *119 E 4.2521 7.9055 117.1611 55.5641 32.2659 177.6180 120 A 4.0814 7.6501 122.0664 51.7462 19.9776 176.7080 121 P 4.2986 0.0000 0.0000 65.6275 31.4067 178.7814 122 E 3.9472 8.1931 117.2183 59.0524 29.3754 179.3206 123 V 3.5548 7.7726 119.4286 66.2577 31.6101 177.9154 124 T 3.8514 7.9870 114.7773 66.7564 68.3277 176.0952 125 A 3.9645 8.3214 122.7878 55.3265 18.2926 179.1264 126 H 3.9623 8.3206 116.5837 59.6044 29.7879 177.6037 127 I 3.7620 7.6131 119.8950 64.3102 36.9907 177.9671 128 A 4.1543 8.0474 120.9195 55.2693 18.4823 179.2056 129 Q 4.0456 8.1709 118.0562 59.0064 28.9558 179.0319 130 S 4.0888 8.1139 114.5709 58.7356 62.8677 176.0961 *132 A 4.1898 7.9816 126.3663 52.2894 20.4980 180.0153 133 L 3.8699 8.2649 115.9451 57.7311 41.6013 179.4936 134 A 3.0634 7.8785 121.0268 54.8923 18.0271 179.5131 135 Q 3.7783 7.6282 117.4688 59.0622 28.9843 178.0884 136 K 3.8114 7.5837 119.7403 59.1399 32.3389 178.0236 137 L 3.9624 7.2677 116.4191 54.1659 41.6563 177.4167 138 G 3.7710 7.1527 106.5056 46.0255 0.0000 173.4848 139 F 4.7588 7.6142 118.6662 56.9688 39.3072 175.3352 140 N 4.8492 8.7504 123.0631 53.9210 39.8845 174.0545 141 G 3.8753 7.4174 103.5836 46.0655 0.0000 172.1678 142 T 4.7244 8.2049 108.6792 58.7813 71.3148 171.8587 143 P 4.7650 0.0000 0.0000 63.0144 32.4824 175.5846 144 S 4.4692 8.3407 116.8779 56.6719 66.9707 173.0320 145 F 5.5910 8.8724 120.7493 55.7592 43.2415 174.0684 146 V 5.0104 9.1642 120.9449 61.3544 34.6113 174.6819 147 V 4.7679 8.9296 127.4354 60.9402 33.5135 177.1599 148 E 3.7139 9.1785 131.1647 57.8344 29.1662 177.4336 149 D 4.6179 9.2501 128.2317 55.9952 41.4568 175.6637 150 A 4.6024 8.2211 123.6775 50.8381 20.1967 175.7233 151 L 5.0117 8.4030 121.5757 53.2745 43.5720 177.2984 152 V 4.4023 9.0489 124.2396 60.1644 31.3693 172.6955 153 P 4.3414 0.0000 0.0000 58.8944 29.5994 175.1752 154 G 3.9633 7.3235 111.1324 46.4122 0.0000 170.4777 155 F 4.6705 8.7199 122.4985 58.4799 39.7816 174.9446 156 V 4.1945 7.1403 117.2321 59.1729 35.6403 175.1192 157 E 4.1380 8.7053 122.7684 55.7440 30.2936 178.0960 158 Q 3.8813 9.5495 121.6234 59.5835 28.9470 178.7704 159 S 4.1189 8.0074 114.6209 61.5869 62.8979 176.3863 160 Q 3.9424 7.8566 121.1117 58.4464 28.4971 178.1500 161 L 3.7962 7.7795 120.0719 57.8214 41.6818 179.3580 162 Q 3.8892 8.4060 119.8347 59.1482 28.8964 177.6967 163 D 4.3063 8.2405 118.8872 57.3209 41.2566 178.1711 164 A 3.9481 8.0079 121.2634 54.9906 18.3513 179.7838 165 V 3.5031 8.0298 117.0165 66.3434 31.6709 177.9689 166 D 4.3645 8.5411 118.9498 57.5121 40.6553 179.1055 167 R 3.9229 8.3147 118.4993 59.1130 29.8182 178.9122 168 A 4.0301 7.8592 119.6820 55.2796 18.5386 179.6409 169 R 4.0192 8.0353 116.5788 59.3037 29.9157 179.3901 170 K 3.9508 8.0211 117.1770 59.3085 32.1460 178.7401 171 A 4.2116 7.9867 118.9115 53.6484 18.6367 177.7208 172 A 4.2459 7.4515 123.9905 52.4114 18.6261 177.0515 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 N 8.28 4.71 0.00 2.67 2.35 0.00 0.00 6.66 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 0 A 8.64 3.84 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 N 8.82 4.15 0.00 2.70 2.75 0.00 0.00 7.14 7.66 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 2 R 7.78 3.48 0.00 2.06 2.04 0.00 3.22 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 3 D 8.25 4.38 0.00 2.84 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 4 S 7.93 4.11 0.00 3.73 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.42 4.10 0.00 0.76 1.17 0.65 0.86 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 6 F 8.27 5.21 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.06 5.00 0.00 2.83 2.79 0.00 0.00 6.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.16 4.57 0.00 2.79 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 9 P 0.00 4.32 0.00 2.20 2.16 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 10 N 8.69 4.59 0.00 2.65 2.92 0.00 0.00 6.95 7.69 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 11 A 7.60 4.74 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 12 P 0.00 4.22 0.00 1.81 1.33 0.00 3.67 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.29 0.00 13 V 8.18 4.74 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 14 L 8.98 4.60 0.00 1.34 1.52 0.49 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.81 4.70 0.00 2.83 2.70 0.00 0.00 7.63 7.38 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 17 P 0.00 4.30 0.00 2.07 2.09 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 18 E 8.19 4.62 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 19 G 7.86 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.32 4.63 0.00 2.62 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.51 4.45 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.90 0.00 0.00 22 T 9.00 4.79 2.95 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 1.12 0.00 0.00 23 V 8.91 4.85 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 1.11 0.00 0.00 0.96 0.00 0.00 24 V 9.34 5.10 2.45 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 1.01 0.00 0.00 1.31 0.00 0.00 25 E 9.41 5.02 0.00 2.39 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 2.18 1.47 0.00 26 F 9.15 5.20 0.00 2.94 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 27 F 7.91 5.15 0.00 2.93 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 28 D 8.44 4.94 0.00 2.70 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 0.00 0.00 0.00 29 Y 8.95 4.29 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.80 4.79 0.00 2.82 2.83 0.00 0.00 6.89 7.45 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 31 C 8.03 4.38 0.00 2.99 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 32 P 0.00 4.19 0.00 1.97 1.93 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 33 Y 7.92 4.11 0.00 3.10 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 34 C 8.18 4.30 0.00 3.16 3.01 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 35 R 8.01 4.12 0.00 1.93 2.02 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 36 R 7.96 4.07 0.00 1.78 2.05 0.00 2.96 0.00 0.00 2.56 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 37 A 8.99 4.52 1.78 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 0.00 0.00 39 A 7.57 3.41 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 40 E 8.04 3.96 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 41 V 8.20 3.65 2.42 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 1.40 0.00 0.00 1.36 0.00 0.00 42 Q 8.22 3.97 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 43 G 8.15 3.78 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 0.00 0.00 0.00 44 L 8.07 3.90 0.00 1.72 1.89 0.92 1.18 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 45 V 7.73 3.61 2.26 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 0.95 0.00 0.00 1.09 0.00 0.00 46 D 8.07 4.46 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.85 4.48 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 48 D 8.22 4.64 0.00 2.79 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 49 P 0.00 4.66 0.00 2.22 2.13 0.00 3.76 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 1.98 1.94 0.00 50 N 8.66 4.96 0.00 2.84 2.83 0.00 0.00 6.66 7.28 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 51 V 7.48 4.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 52 R 8.84 4.80 0.00 1.92 1.80 0.00 3.15 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 53 L 8.83 5.23 0.00 1.80 1.55 1.22 0.79 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 54 V 9.13 4.77 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 55 Y 8.64 5.59 0.00 2.92 3.01 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 56 R 8.59 4.29 0.00 0.67 1.03 0.00 3.03 0.00 0.00 2.87 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 57 E 8.73 3.40 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 58 W 8.21 5.46 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.67 0.00 2.13 2.24 0.00 3.96 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 2.04 2.02 0.00 60 I 9.32 4.35 1.43 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.37 -0.30 0.00 0.00 61 L 8.10 4.46 0.00 1.66 1.65 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.10 4.12 0.00 2.05 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 2.43 2.39 0.00 64 G 7.95 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 65 S 8.11 4.24 0.00 4.06 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 66 D 8.39 4.35 0.00 2.92 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 67 F 8.57 3.92 0.00 3.37 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.55 4.00 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 69 A 8.31 4.59 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.30 3.86 0.00 1.81 1.88 0.00 3.15 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 1.64 1.85 0.00 71 A 8.27 3.98 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 72 A 8.10 4.05 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 73 L 8.31 4.21 0.00 1.88 1.74 0.88 0.68 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 74 A 8.65 4.07 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 75 A 8.26 4.11 1.59 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 76 R 8.11 4.04 0.00 2.03 2.02 0.00 2.99 0.00 0.00 2.81 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 77 Q 8.20 4.21 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 78 Q 7.74 4.45 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 79 G 8.14 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 80 K 7.88 4.67 0.00 1.76 1.74 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.59 7.81 81 Y 8.49 4.10 0.00 3.18 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 82 E 8.34 3.62 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.17 0.00 83 A 8.04 4.21 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 84 F 8.31 4.41 0.00 3.09 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 85 H 7.93 3.71 0.00 2.36 2.90 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.69 4.71 0.00 3.34 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 87 A 7.95 4.30 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 88 L 7.72 4.00 0.00 1.07 1.03 -0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 *90 G 7.76 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 *92 S 7.72 3.97 0.00 3.87 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 93 G 8.70 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 94 K 8.15 4.12 0.00 1.72 1.70 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.59 7.81 95 A 9.31 4.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 7.92 5.03 0.00 2.80 2.87 0.00 0.00 5.76 7.66 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 97 E 8.49 2.54 0.00 1.19 1.60 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 2.06 1.56 0.00 98 T 7.63 3.94 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 1.13 0.00 0.00 99 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 0.00 100 V 8.32 3.67 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 1.47 0.00 0.00 1.03 0.00 0.00 101 L 8.03 4.09 0.00 1.82 1.75 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.03 3.84 0.00 1.95 2.18 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 103 I 7.94 3.75 2.16 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 1.70 0.78 1.07 0.00 0.00 104 A 8.43 3.39 1.13 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 0.00 0.00 0.00 105 R 7.84 3.81 0.00 2.05 1.98 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 106 E 7.91 3.96 0.00 2.20 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 2.36 2.59 0.00 107 V 7.65 4.13 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 0.84 0.00 0.00 0.82 0.00 0.00 108 G 7.99 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 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3.26 3.46 0.00 5.79 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 0.00 127 I 7.61 3.76 1.92 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 1.54 0.82 1.00 0.00 0.00 128 A 8.05 4.15 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 0.00 129 Q 8.17 4.05 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 130 S 8.11 4.09 0.00 4.04 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 *132 A 7.98 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.26 3.87 0.00 1.76 1.85 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.88 3.06 -0.14 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 0.00 0.00 135 Q 7.63 3.78 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 136 K 7.58 3.81 0.00 1.73 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.37 7.81 137 L 7.27 3.96 0.00 0.27 0.39 0.55 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.15 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 7.61 4.76 0.00 2.60 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.75 4.85 0.00 2.74 2.90 0.00 0.00 6.97 7.98 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 0.00 141 G 7.42 3.88 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 0.00 0.00 0.00 142 T 8.20 4.72 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 1.22 0.00 0.00 143 P 0.00 4.76 0.00 1.94 2.13 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 144 S 8.34 4.47 0.00 2.72 2.63 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 0.00 145 F 8.87 5.59 0.00 3.03 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 0.00 146 V 9.16 5.01 2.46 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 1.25 0.00 0.00 1.31 0.00 0.00 147 V 8.93 4.77 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 1.01 0.00 0.00 0.97 0.00 0.00 148 E 9.18 3.71 0.00 2.17 1.15 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 2.18 2.38 0.00 149 D 9.25 4.62 0.00 2.72 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 0.00 150 A 8.22 4.60 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 0.00 151 L 8.40 5.01 0.00 1.65 1.87 0.85 0.92 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 0.00 152 V 9.05 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 1.07 0.00 0.00 0.97 0.00 0.00 153 P 0.00 4.34 0.00 2.14 2.23 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 154 G 7.32 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.72 4.67 0.00 2.78 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.14 4.19 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.35 0.00 0.00 157 E 8.71 4.14 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 158 Q 9.55 3.88 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 159 S 8.01 4.12 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 7.86 3.94 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 161 L 7.78 3.80 0.00 1.70 1.56 0.59 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 8.41 3.89 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 163 D 8.24 4.31 0.00 2.87 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 0.00 164 A 8.01 3.95 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 0.00 165 V 8.03 3.50 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 1.06 0.00 0.00 0.95 0.00 0.00 166 D 8.54 4.36 0.00 2.79 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 0.00 167 R 8.31 3.92 0.00 2.05 1.98 0.00 3.13 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 1.72 0.00 168 A 7.86 4.03 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 0.00 169 R 8.04 4.02 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 170 K 8.02 3.95 0.00 1.95 1.88 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 171 A 7.99 4.21 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 0.00 172 A 7.45 4.25 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 * Residues marked with a * may have inaccurate shift predictions.