NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5776 8.1776 116.7978 59.0416 64.1997 174.8608 3 T 3.9396 8.7333 113.8610 61.6908 68.1952 172.4353 4 I 2.0000 7.2415 122.5032 60.8767 38.9691 175.0467 5 P 4.3143 0.0000 0.0000 62.7015 31.9114 176.6799 6 S 4.3768 8.5075 115.0914 59.5909 63.8239 173.5449 7 E 4.8534 7.7234 120.4624 54.6327 31.3334 175.9791 8 I 3.9628 8.4182 123.7662 63.6106 38.4303 175.9736 9 I 4.4585 7.4901 120.9045 59.2078 40.3097 175.5228 10 N 4.5638 9.2938 127.0182 52.3981 38.6479 175.6035 11 W 4.1474 8.7088 127.6961 59.1693 29.1052 178.3665 12 T 4.1350 7.9517 108.8412 64.2442 68.3416 176.3082 13 I 3.9669 7.5804 122.4615 64.0084 37.4749 177.7539 14 L 3.9059 7.7005 120.8746 58.0383 41.7574 178.5845 15 N 4.4790 8.8418 117.1000 56.5065 38.2613 177.0987 16 E 4.0720 7.8665 118.6547 58.9227 29.6936 178.8805 17 I 4.1576 7.6210 119.7153 64.0727 37.4761 178.1162 18 I 3.9182 8.1442 121.0057 64.3293 36.6294 178.2966 19 S 4.4083 8.4227 116.3246 61.6054 62.3611 175.7272 20 M 4.5697 7.5382 118.8354 55.4564 31.9669 176.8750 21 D 5.2146 8.6044 120.6959 55.8935 41.5068 178.3139 22 D 4.3770 7.7075 117.8786 57.1909 40.7705 177.2592 23 D 4.7003 7.8982 114.4399 54.0767 41.7370 176.3778 24 D 4.4602 7.8295 120.3569 53.0173 42.2570 175.3990 25 S 4.2805 8.8254 121.2696 61.0138 62.6184 175.2086 26 D 5.0084 7.8700 117.8223 54.5175 41.0132 178.5510 27 F 4.5756 8.0711 121.8906 61.0556 39.5919 176.2151 28 S 3.6563 9.2102 113.9167 61.3486 63.0332 176.5116 29 K 3.6996 8.3142 122.7508 58.7020 31.9051 178.8121 30 G 3.6015 8.1408 106.5182 47.2851 0.0000 175.8277 31 L 3.8595 7.4993 120.7575 57.7032 41.7052 179.2185 32 I 3.6882 7.5482 119.5839 64.8290 37.1683 178.5574 33 I 3.8216 7.6779 119.8745 63.8126 36.8588 178.3799 34 Q 3.9983 7.9612 121.0166 59.0147 28.9461 177.7666 35 F 4.1370 8.6775 122.1448 61.4591 39.3193 177.0941 36 I 3.9491 7.9790 119.3941 64.3362 36.8903 177.8776 37 D 4.2982 7.6752 118.0408 56.9823 41.0862 178.2660 38 Q 3.8964 7.9102 118.3593 58.8783 28.7333 178.5438 39 A 3.1401 7.5939 121.8225 55.1562 17.6299 179.7377 40 Q 3.8220 7.2396 116.2863 59.3012 28.7088 179.3534 41 T 3.9348 7.4645 116.6411 66.5382 68.5293 177.1049 42 T 3.8733 7.8440 111.8724 64.4826 68.8835 176.6436 43 F 4.4926 7.7773 120.5532 60.7817 38.9768 177.6320 44 A 4.0288 7.8063 119.1379 55.1522 18.1642 179.7586 45 Q 3.9696 8.0145 116.7552 59.2350 28.7498 178.6867 46 M 4.1810 8.7231 120.2318 58.4382 31.8836 178.6115 47 Q 4.0082 8.4552 119.9380 58.9396 29.0622 178.0874 48 R 3.9058 8.0927 119.8920 58.7914 29.9482 178.2162 49 Q 4.0617 7.5792 118.2430 58.8485 29.0022 177.4733 50 L 3.9355 7.6333 118.8412 57.8701 41.7847 178.6439 51 D 4.7856 7.8149 116.4280 53.0522 41.4113 177.1448 52 G 3.8650 7.7537 102.9557 45.6590 0.0000 173.8956 53 E 3.9396 9.5657 123.0835 57.0979 30.8018 175.5492 54 K 3.7725 7.9061 116.9219 57.1673 30.4513 175.7851 55 N 4.6685 7.6433 117.0667 52.4142 39.7883 174.1548 56 L 4.1039 8.4126 128.8788 57.5708 41.6804 179.5992 57 T 3.9025 8.3943 116.5899 66.3749 68.3712 176.2810 58 E 3.9370 8.4013 120.0503 59.8526 29.6928 179.5846 59 L 4.0231 7.8402 117.8523 57.2724 41.5399 179.3045 60 D 4.2709 7.7242 118.6906 57.3499 41.1607 177.9530 61 N 4.3804 8.4175 117.3055 56.3390 38.6648 177.4133 62 L 4.1308 8.3738 120.9189 57.8784 41.6035 179.9227 63 G 3.6778 8.1078 105.2528 47.7497 0.0000 175.3861 64 H 4.2069 8.1994 120.6882 59.0857 30.0201 176.7908 65 F 4.0162 8.4749 122.7378 61.5345 39.2441 176.9764 66 L 3.7746 8.0470 119.2954 57.6422 41.8208 178.8900 67 K 4.0698 7.8502 120.2414 59.0119 32.1984 179.1765 68 G 3.3648 7.6250 106.2585 47.7305 0.0000 175.6227 69 S 3.9324 7.4174 118.0307 61.3891 62.7988 177.1413 70 S 3.4006 7.8527 116.2544 61.2949 62.4612 176.3415 71 A 3.8449 7.8758 124.1346 54.5039 17.7925 179.4812 72 A 3.9246 7.4647 119.6969 54.8013 18.5400 178.2621 73 L 4.1247 7.2320 112.0543 54.4888 42.0406 177.3591 74 G 3.6928 7.5944 106.3044 46.0031 0.0000 173.9811 75 L 4.6170 7.6180 122.9148 53.3881 40.2082 177.1436 76 Q 4.1889 8.2466 120.1970 57.9902 29.1002 178.2937 77 R 4.1393 7.8580 120.0520 58.8307 30.3963 178.5327 78 I 3.9036 7.8109 119.1517 64.2496 37.1509 178.1129 79 A 4.0035 7.9221 121.5272 54.8707 18.3143 179.3502 80 W 4.1051 8.1638 126.4958 60.8434 30.7248 178.4045 81 V 3.7357 8.1452 118.0067 66.1903 31.0047 177.8121 82 C 4.1392 8.2561 116.7050 62.6933 27.9377 175.6127 83 E 3.8866 8.3643 121.0993 59.2461 29.1034 179.1993 84 R 3.7032 7.4887 118.0392 59.0520 30.0768 178.8945 85 I 3.6206 7.7747 119.7553 64.3793 37.1499 178.4314 86 Q 3.8906 8.0812 118.7277 59.2019 28.6466 178.5217 87 N 4.2939 8.0860 117.2982 56.3997 38.5793 177.5742 88 L 4.1685 8.4154 121.0048 57.5540 41.4871 179.4733 89 G 3.7027 7.8663 104.3774 46.4881 0.0000 174.9302 90 R 4.2919 7.4189 117.7625 54.6111 30.9068 175.9758 91 K 3.3502 7.1476 116.8432 57.6994 30.1660 175.5338 92 M 4.4269 7.9182 116.8896 55.3634 33.4137 176.5355 93 E 4.8077 7.7513 116.5771 54.9781 33.1509 175.0089 94 H 5.1572 8.9045 115.7530 55.2363 30.8626 172.8521 95 F 5.0714 7.7919 113.3219 55.4560 40.8096 173.3280 96 F 4.3636 8.4639 122.0686 55.5866 42.0863 172.5230 97 P 4.4892 0.0000 0.0000 62.4765 31.9033 176.2335 98 N 4.7910 8.3314 117.1476 52.3266 40.8427 176.3817 99 K 3.9521 8.5856 122.6918 60.2414 32.1123 179.0612 100 T 3.8355 7.8860 115.3830 66.5874 68.1897 175.9541 101 E 3.9174 8.0667 119.5725 59.2296 30.0186 178.5241 102 L 4.0142 7.6606 118.8919 57.8459 41.4221 179.5828 103 V 3.6409 8.4338 118.2967 65.7110 31.1211 177.0003 104 N 4.4985 7.7357 115.4806 55.3598 38.9942 175.5751 105 T 4.1023 7.6812 108.9195 62.8637 69.5241 175.1864 106 L 4.1250 7.2069 122.7130 55.0599 42.1504 177.0222 107 S 4.1575 9.1631 119.0164 60.7025 62.2094 173.9494 108 D 4.6809 7.8270 119.4924 52.5383 43.1260 175.2885 109 K 4.2627 8.5901 125.2188 56.8938 32.9516 178.8413 110 S 4.1410 8.5408 116.6612 61.0264 62.8536 176.1377 111 I 3.9228 7.2238 119.4765 62.6026 37.8395 176.0594 112 I 4.4364 7.5241 113.2669 60.6278 37.5796 175.1657 113 N 4.4212 8.0243 119.9027 55.2299 38.5869 176.4056 114 G 3.9723 9.0923 112.7962 45.0648 0.0000 173.2121 115 I 4.1391 6.9164 111.8414 59.6743 39.1936 175.2312 116 N 4.7279 8.0370 120.0868 51.6000 38.4304 175.4442 117 I 3.7966 8.3627 119.4278 62.8189 37.6684 176.3214 118 D 4.8842 7.8680 120.3243 54.2754 41.3354 177.4691 119 E 3.9281 8.8230 121.6692 59.7676 29.3687 178.1314 120 D 4.7678 7.8527 113.8471 53.9641 41.3053 176.4127 121 D 4.6376 7.6622 120.6798 54.3872 41.2867 175.5896 122 E 4.5108 8.7131 123.5246 54.3586 30.9547 175.9339 123 E 3.8813 8.6251 124.1404 56.4678 30.1414 176.7027 124 I 4.0434 8.3607 129.6168 61.2633 36.7215 177.3540 125 K 4.6112 8.3617 134.7047 54.0976 31.7280 174.5636 126 I 4.6636 7.1543 119.4080 59.0171 39.8900 178.0820 *131 K 4.3903 8.5240 122.8289 54.2833 33.9409 175.7534 132 D 4.4764 6.9766 115.3076 53.8995 44.7218 176.5608 133 E 4.0044 8.9599 123.7917 59.0212 29.9752 177.5092 134 N 4.8768 8.4290 114.8178 54.3442 39.5616 176.9771 135 S 4.1229 7.7507 115.6727 61.9689 62.9150 176.4370 136 I 3.7612 7.6349 120.3048 63.8225 37.8175 177.3025 137 Y 4.0681 7.9760 117.8964 60.6728 37.7358 177.9186 138 L 4.0780 7.9531 119.6555 57.7310 41.7734 179.3775 139 I 3.7893 7.7039 119.5002 64.1348 37.0470 178.2683 140 L 4.1625 7.8370 119.2229 57.2086 41.4781 179.4621 141 I 3.5390 7.8726 119.9229 64.2121 37.1463 178.2739 142 A 3.9304 8.0194 121.4219 54.7336 17.9712 179.8810 143 K 3.9757 7.7550 116.8608 59.4634 32.2411 179.3961 144 A 3.0320 7.3669 120.9461 54.4513 17.9743 179.4985 145 L 3.7569 7.9148 119.3394 58.2864 41.9608 178.9021 146 N 4.2384 7.6875 115.4465 55.8154 38.4111 177.0220 147 Q 4.2107 7.8125 121.0200 58.7301 29.0981 178.1215 148 S 4.2257 7.9969 116.5684 61.5862 62.9798 176.6863 149 R 3.7537 7.7843 120.9841 59.0533 29.7038 178.9415 150 L 4.0413 7.6313 118.8440 58.2053 42.1199 178.8929 151 E 4.1082 8.5262 118.6660 59.0550 29.3680 179.0519 152 F 4.5537 8.6903 121.1566 61.3895 39.4926 177.0799 153 K 3.7487 8.0837 118.8662 59.5750 32.0384 178.7968 154 L 3.9827 8.0581 118.8661 57.4015 41.4473 179.4108 155 A 4.0166 7.9472 121.2039 55.0207 18.3400 179.9085 156 R 3.7057 7.8535 116.4946 59.4341 29.9407 179.1670 157 I 3.5605 7.4023 118.1726 64.5946 37.1860 177.9134 158 E 4.1564 8.1898 119.8023 59.0698 29.4773 178.5789 159 L 4.3711 7.9953 118.8728 57.2839 41.3851 179.1853 160 S 4.4764 8.0341 116.8549 60.9873 62.4933 176.6696 161 K 3.7714 7.4766 119.8997 58.8567 31.6798 177.7957 162 Y 4.5934 7.8451 114.8122 58.2242 39.4041 176.0161 163 Y 4.2301 8.0385 115.4048 56.8208 38.3686 175.1653 164 N 4.8681 7.7839 115.5258 53.6936 36.8936 173.7755 165 T 4.5206 7.2892 108.7992 60.6503 70.6036 172.1899 166 N 4.7130 8.6222 124.2540 53.1961 38.3964 174.8765 167 L 4.6507 8.8624 126.2865 54.9977 41.8608 177.1282 168 H 4.4614 7.8770 120.6155 55.7885 28.6086 173.0522 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 3.94 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 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.07 0.54 0.00 0.00 5 P 0.00 4.31 0.00 2.00 1.92 0.00 3.44 0.00 0.00 3.25 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 4.38 0.00 4.03 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 7.72 4.85 0.00 1.97 1.94 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 2.24 2.27 0.00 8 I 8.42 3.96 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 1.36 0.88 0.92 0.00 0.00 9 I 7.49 4.46 1.23 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.49 -0.24 0.00 0.00 10 N 9.29 4.56 0.00 2.74 2.61 0.00 0.00 6.99 7.83 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 11 W 8.71 4.15 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 7.95 4.13 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 1.79 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 0.71 0.86 0.00 0.00 14 L 7.70 3.91 0.00 1.41 1.31 0.82 -0.36 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 15 N 8.84 4.48 0.00 3.03 2.94 0.00 0.00 6.98 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 16 E 7.87 4.07 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 7.62 4.16 2.03 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 0.92 0.85 0.00 0.00 18 I 8.14 3.92 2.14 0.00 0.00 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 1.71 0.91 0.99 0.00 0.00 19 S 8.42 4.41 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 20 M 7.54 4.57 0.00 1.72 2.32 0.00 0.00 0.00 0.00 0.00 1.92 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 8.60 5.21 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 7.71 4.38 0.00 2.71 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 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 7.83 4.46 0.00 2.56 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 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 5.01 0.00 2.75 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 8.07 4.58 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 9.21 3.66 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 3.70 0.00 2.14 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 1.42 1.64 7.81 30 G 8.14 3.60 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 0.00 0.00 0.00 31 L 7.50 3.86 0.00 1.59 1.55 0.54 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.55 3.69 1.73 0.00 0.00 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 1.32 0.55 0.77 0.00 0.00 33 I 7.68 3.82 1.93 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 0.83 0.91 0.00 0.00 34 Q 7.96 4.00 0.00 2.30 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 8.68 4.14 0.00 3.08 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 36 I 7.98 3.95 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 1.45 0.84 1.02 0.00 0.00 37 D 7.68 4.30 0.00 2.82 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 7.91 3.90 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 39 A 7.59 3.14 -0.22 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 40 Q 7.24 3.82 0.00 2.23 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 7.46 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 7.84 3.87 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 1.22 0.00 0.00 43 F 7.78 4.49 0.00 2.89 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 44 A 7.81 4.03 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 8.01 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 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 46 M 8.72 4.18 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 47 Q 8.46 4.01 0.00 2.25 2.25 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 8.09 3.91 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 7.58 4.06 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 50 L 7.63 3.94 0.00 1.80 1.73 0.91 1.12 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 51 D 7.81 4.79 0.00 2.59 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 52 G 7.75 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.57 3.94 0.00 1.93 2.16 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 2.28 2.32 0.00 54 K 7.91 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 2.75 2.85 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 4.10 0.00 1.69 1.82 0.87 0.78 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 57 T 8.39 3.90 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 8.40 3.94 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 2.44 0.00 59 L 7.84 4.02 0.00 1.71 1.70 0.91 0.85 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 60 D 7.72 4.27 0.00 2.84 2.84 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 61 N 8.42 4.38 0.00 2.89 2.87 0.00 0.00 7.09 7.06 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 62 L 8.37 4.13 0.00 1.68 1.74 0.90 0.74 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 8.11 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 64 H 8.20 4.21 0.00 3.59 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 8.47 4.02 0.00 3.06 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 8.05 3.77 0.00 2.00 1.66 0.83 -0.04 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 67 K 7.85 4.07 0.00 1.89 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 3.36 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 0.00 69 S 7.42 3.93 0.00 3.79 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 70 S 7.85 3.40 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 7.88 3.84 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 72 A 7.46 3.92 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 4.12 0.00 1.27 1.43 0.65 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 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 4.62 0.00 1.56 1.53 0.54 0.73 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 4.19 0.00 2.39 2.31 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 2.27 2.39 0.00 77 R 7.86 4.14 0.00 1.91 2.16 0.00 3.10 0.00 0.00 3.54 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 3.90 2.11 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.70 1.16 0.00 0.00 79 A 7.92 4.00 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 80 W 8.16 4.11 0.00 3.53 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 3.74 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 1.17 0.00 0.00 1.46 0.00 0.00 82 C 8.26 4.14 0.00 3.23 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 8.36 3.89 0.00 2.07 1.89 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 2.15 2.28 0.00 84 R 7.49 3.70 0.00 1.80 1.78 0.00 2.21 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.94 0.00 85 I 7.77 3.62 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 0.54 0.90 0.00 0.00 86 Q 8.08 3.89 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 87 N 8.09 4.29 0.00 2.66 2.78 0.00 0.00 7.15 6.58 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 88 L 8.42 4.17 0.00 1.82 1.77 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.42 4.29 0.00 1.88 1.89 0.00 3.26 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 91 K 7.15 3.35 0.00 1.59 1.46 0.00 1.43 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.80 7.81 92 M 7.92 4.43 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 93 E 7.75 4.81 0.00 1.81 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 8.90 5.16 0.00 3.25 3.39 0.00 5.87 0.00 0.00 0.00 0.00 7.11 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 4.36 0.00 2.85 2.93 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 97 P 0.00 4.49 0.00 1.84 1.95 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.24 0.00 98 N 8.33 4.79 0.00 2.79 2.76 0.00 0.00 6.44 7.02 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 99 K 8.59 3.95 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 7.89 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 8.07 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 7.66 4.01 0.00 1.83 1.78 0.76 0.93 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 8.43 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 0.98 0.00 0.00 104 N 7.74 4.50 0.00 3.03 2.80 0.00 0.00 7.22 8.02 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 0.00 105 T 7.68 4.10 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 1.19 0.00 0.00 106 L 7.21 4.12 0.00 1.78 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 S 9.16 4.16 0.00 3.88 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 4.26 0.00 1.86 1.82 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 1.49 1.45 7.81 110 S 8.54 4.14 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 3.92 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 0.96 0.00 0.00 112 I 7.52 4.44 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 1.52 0.81 0.92 0.00 0.00 113 N 8.02 4.42 0.00 2.92 2.80 0.00 0.00 7.14 7.46 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 0.00 114 G 9.09 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 0.00 0.00 0.00 115 I 6.92 4.14 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 0.98 0.00 0.00 116 N 8.04 4.73 0.00 2.89 2.75 0.00 0.00 7.26 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 3.80 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 7.87 4.88 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 8.82 3.93 0.00 1.91 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 6.98 4.48 0.00 2.80 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 8.43 4.88 0.00 3.07 2.92 0.00 0.00 6.90 7.32 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 0.00 135 S 7.75 4.12 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 7.63 3.76 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 0.94 0.41 0.00 0.00 137 Y 7.98 4.07 0.00 3.30 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 0.00 138 L 7.95 4.08 0.00 1.85 1.72 0.94 0.94 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 7.70 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 1.25 0.91 0.00 0.00 140 L 7.84 4.16 0.00 1.69 1.72 0.90 0.90 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 7.87 3.54 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 1.39 0.74 0.85 0.00 0.00 142 A 8.02 3.93 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 7.75 3.98 0.00 1.97 1.98 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 1.62 7.81 144 A 7.37 3.03 0.54 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 0.00 145 L 7.91 3.76 0.00 1.65 1.55 0.68 0.71 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 7.69 4.24 0.00 3.02 3.03 0.00 0.00 6.67 7.57 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 0.00 147 Q 7.81 4.21 0.00 2.39 2.42 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 2.65 0.00 148 S 8.00 4.23 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 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 0.85 1.37 0.00 150 L 7.63 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 8.53 4.11 0.00 2.33 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 8.69 4.55 0.00 3.50 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.75 0.00 1.93 1.97 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 154 L 8.06 3.98 0.00 1.79 1.72 0.94 1.03 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 7.95 4.02 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 0.00 156 R 7.85 3.71 0.00 1.73 1.75 0.00 3.14 0.00 0.00 2.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.00 157 I 7.40 3.56 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 1.30 0.48 0.91 0.00 0.00 158 E 8.19 4.16 0.00 2.22 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 2.45 2.69 0.00 159 L 8.00 4.37 0.00 1.84 1.80 0.89 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 0.00 160 S 8.03 4.48 0.00 4.13 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 0.81 1.23 0.00 1.45 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.39 7.81 162 Y 7.85 4.59 0.00 3.19 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 7.78 4.87 0.00 2.86 2.88 0.00 0.00 6.61 7.20 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 0.00 165 T 7.29 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 1.33 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 8.86 4.65 0.00 1.79 1.63 0.84 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 7.88 4.46 0.00 2.98 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.