NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6292 8.3049 120.3560 55.4410 33.2042 174.3645 2 S 4.9469 9.2417 121.4831 56.2886 66.8089 171.3837 3 K 4.8961 9.5582 122.6560 54.7545 34.9746 175.0100 4 V 4.5306 8.7464 125.4703 60.9156 33.9973 173.8237 5 L 4.8481 8.8183 130.3957 53.2366 44.2855 174.8241 6 V 4.5225 8.8740 126.8251 61.0844 33.9622 174.1169 7 L 4.8218 8.9360 128.9545 53.1388 43.2614 175.6628 8 K 4.7197 8.5045 124.6402 55.1982 33.6800 177.9114 9 S 4.4684 8.4101 114.9152 57.2916 64.7108 174.3373 10 S 4.2978 7.9962 116.0710 58.8113 62.6060 173.3240 11 I 4.3619 8.5926 118.6124 60.9449 37.7692 175.9735 12 L 4.5280 8.4184 120.1867 53.9136 42.9452 177.3939 13 A 3.4849 7.7572 124.4617 52.9475 17.6285 181.7358 14 G 3.5063 8.8249 107.2587 50.4346 0.0000 173.1682 15 Y 4.3549 7.7612 115.9905 57.9141 38.5275 176.2639 16 S 4.2465 8.0461 116.7563 58.4769 63.5953 174.5863 17 Q 3.9968 8.7344 128.6818 59.2201 28.7602 178.7690 18 S 4.2949 8.1411 114.9096 61.2584 63.0887 176.5578 19 G 3.5590 8.7199 109.8639 47.7862 0.0000 175.8120 20 Q 4.1098 8.0691 120.3694 58.6097 28.6239 178.8001 21 L 4.1743 7.9211 120.4733 57.9100 41.6000 179.5543 22 T 3.9843 8.2894 110.0575 64.7852 68.6429 176.5074 23 D 4.3719 8.3315 121.8724 57.3194 40.8074 178.0656 24 Y 4.0296 8.1189 119.8637 60.4966 38.7959 177.6031 25 F 3.9200 8.6201 121.7277 61.4355 39.4544 177.1075 26 I 3.8491 8.2285 119.4722 64.3986 36.8154 177.8632 27 E 3.8691 8.4487 120.4291 59.6313 29.4272 179.0422 28 Q 3.7365 8.0160 118.2903 58.4353 28.5861 178.4445 29 W 3.7143 8.3687 129.9227 60.4263 30.8367 178.3088 30 R 4.0412 8.3752 118.1344 59.1104 29.1806 179.0348 31 E 3.9890 7.5051 118.0124 59.3645 29.6189 179.0819 32 K 4.0542 7.5945 116.8849 57.6305 33.6959 177.1136 33 H 4.7092 7.9607 116.3571 53.2362 28.8561 174.3076 34 V 3.8606 8.2013 113.8768 62.5927 31.8956 176.9489 35 A 4.5836 7.7475 120.4200 52.0902 20.0152 176.6914 36 D 4.8204 7.9769 116.0746 54.3397 41.8109 175.7837 37 E 4.6773 8.5860 121.0351 55.1047 31.7439 174.9808 38 I 4.8958 8.3539 124.0649 59.8139 39.8564 174.9571 39 T 4.6296 9.1237 123.4832 61.6137 71.4596 173.1230 40 V 4.6907 8.4232 125.6469 60.9321 34.3070 174.3466 41 R 4.3946 8.9241 128.6373 54.5607 32.5757 174.0833 42 D 4.8360 8.5327 127.6538 53.1118 41.7214 176.4656 43 L 4.3011 9.1039 126.8777 56.2701 41.9883 179.0873 44 A 4.1923 8.4583 121.9064 53.9395 19.9083 178.6555 45 A 4.1336 8.2972 117.2651 54.4689 18.8406 177.1450 46 N 4.9496 8.1193 114.3114 50.4709 38.5984 171.6090 47 P 4.6392 0.0000 0.0000 61.7989 32.4672 176.8638 48 V 4.2331 8.0206 120.5753 60.5529 32.8655 173.9588 49 P 4.4889 0.0000 0.0000 62.2209 31.9979 176.1358 50 V 3.9008 7.9368 118.6048 61.9958 31.9970 175.7008 51 L 4.1627 8.4490 128.8466 54.7569 41.5789 175.0531 52 D 5.1095 8.2533 126.9723 50.9956 42.3264 176.7482 53 G 3.6825 8.7947 104.7870 48.2676 0.0000 174.9708 54 E 4.1034 8.1376 121.1698 59.0468 29.8277 178.7475 55 L 4.0367 8.7699 119.7696 57.7290 41.5555 179.8729 56 V 3.8250 8.1626 119.3108 64.6779 30.9442 178.7233 57 G 3.5888 7.7388 105.7620 47.5206 0.0000 175.2001 58 A 4.1387 7.8280 122.2112 54.1136 19.5400 178.1186 59 M 4.3054 7.4303 118.0058 54.1598 31.1811 173.1590 60 R 3.8766 7.5784 124.1436 55.8050 30.3459 176.1956 *63 D 4.3292 8.3741 120.8106 53.2749 42.2048 174.5406 64 A 4.1036 8.3816 125.3898 51.4153 18.8483 176.0362 65 P 4.4196 0.0000 0.0000 62.6752 32.1431 175.9486 66 L 4.6816 8.1168 120.4950 53.8683 43.1507 177.3819 67 T 4.2530 8.7661 113.2426 60.6975 71.0210 174.0862 68 P 4.3224 0.0000 0.0000 65.8200 31.2311 178.9864 69 R 3.9137 7.9068 117.0044 59.5517 30.0290 178.4780 70 Q 4.0089 8.0741 117.6737 58.8185 28.6262 178.6751 71 Q 3.9911 8.2999 119.3197 59.1817 28.7396 178.6631 72 D 4.3415 8.1683 119.5916 57.3027 40.7565 178.7402 73 A 3.9810 8.2297 121.4407 54.9944 18.3109 179.4929 74 L 3.8701 8.3720 119.0858 58.2091 42.2148 179.0177 75 A 3.9755 8.1720 120.8526 55.0151 18.2125 179.4129 76 L 3.9025 8.1839 119.0392 58.2464 42.1147 178.9786 77 S 4.0660 8.3423 113.4249 61.6220 62.2466 175.8658 78 D 4.3299 8.2689 121.5215 57.2957 40.5566 178.4433 79 E 3.9260 8.1630 119.6494 59.3031 29.6219 178.8648 80 L 4.0928 8.2462 119.3019 57.9430 41.6241 179.6583 81 I 3.6753 8.0736 119.7431 64.3019 37.0371 178.3240 82 A 3.9753 8.3869 122.0674 55.0645 17.9581 179.3026 83 E 3.9002 8.1204 116.7896 59.3246 29.9221 178.4368 84 L 4.1626 8.1819 120.4881 58.3505 41.9985 179.2177 85 K 4.0132 8.2197 116.8587 58.9634 32.0449 178.6295 86 A 4.1876 7.8612 119.4325 52.8124 18.7139 176.7616 87 H 4.8352 7.1888 113.9687 54.2220 31.5871 174.0110 88 D 4.6863 8.9566 121.0413 55.3422 42.9680 176.8201 89 V 4.7304 7.5627 118.4018 60.9422 34.3559 174.4183 90 I 4.6757 8.9019 129.3678 59.6812 39.4446 174.6354 91 V 4.2855 8.6186 128.6455 61.1575 33.2431 174.5444 92 I 4.7363 8.5498 128.7489 59.2445 40.1185 174.5240 93 A 4.4776 8.6345 130.1996 51.1073 18.7873 177.6732 94 A 4.6420 8.6188 125.7675 49.6248 17.9419 173.5227 95 P 4.6148 0.0000 0.0000 62.1568 33.2763 176.9573 96 M 4.5218 8.4061 121.1545 54.6915 33.1797 175.0770 97 Y 4.6899 8.9638 125.0357 56.9659 39.6705 175.7392 98 N 3.9767 9.4230 124.6590 54.4092 36.1380 175.3970 99 F 3.8787 7.8604 112.0730 57.8941 37.1330 174.1091 100 N 5.0580 7.9297 119.6064 51.5361 41.9023 173.1166 101 I 4.5523 7.8915 112.5972 58.8286 39.4300 174.1137 102 P 4.3082 0.0000 0.0000 62.6345 32.8719 177.9947 103 T 3.9073 8.5636 117.7488 66.7341 68.0303 176.8590 104 Q 3.9405 8.0711 119.7645 58.9586 28.7426 178.5756 105 L 3.5633 7.5711 120.6380 57.5258 42.1347 178.4989 106 K 3.7760 7.8258 119.6765 59.6008 31.8292 178.4726 107 N 4.3219 8.4125 116.9791 56.3225 38.4947 176.7406 108 Y 4.1299 7.5131 120.5729 60.7908 39.0411 178.0694 109 F 4.5100 8.1176 118.6395 60.9545 38.7771 177.4462 110 D 4.5780 8.4004 116.9972 56.5064 40.6465 177.7858 111 L 4.4748 7.6168 117.8019 55.1715 42.4144 177.6691 112 I 4.3567 7.5168 110.9187 60.5436 38.5882 175.4661 113 A 4.4885 7.8242 123.5209 51.3148 17.6408 176.5926 114 R 4.5690 9.1095 120.5578 54.7081 34.0427 175.5224 115 A 2.5800 8.3472 125.9804 53.2020 18.7457 178.3051 116 G 3.9052 8.3953 111.7620 45.2975 0.0000 174.0018 117 I 4.2008 6.9244 117.4056 62.4659 39.2012 176.4655 118 T 4.6255 7.6408 108.0852 61.4175 70.3969 173.6433 119 F 5.1612 7.3159 116.2560 56.5394 41.3006 172.7063 120 R 4.4835 8.6039 115.7697 55.7989 33.3071 172.7397 121 Y 5.2871 8.4297 116.5867 56.6273 40.3965 175.6787 122 T 4.7996 8.7278 114.0185 59.6421 71.8678 174.0212 123 E 4.0371 8.8262 117.9732 58.5955 29.5373 177.3817 124 K 4.3031 7.8952 118.0728 56.0424 33.1029 176.4948 125 G 3.9574 8.1227 106.4064 43.2714 0.0000 171.0271 126 P 4.6176 0.0000 0.0000 62.8058 32.1171 175.2346 127 E 4.4295 9.0792 122.0549 54.3038 33.0138 174.7415 128 G 3.8230 8.5896 114.0750 46.4186 0.0000 173.1765 129 L 4.5038 8.9602 121.6466 54.4114 42.7767 177.5314 130 V 4.1669 8.2042 121.8178 61.5314 29.6360 175.0605 131 T 4.3602 8.0870 116.6966 60.1576 71.1503 175.4068 132 G 3.9511 8.5094 107.5598 46.4764 0.0000 173.6134 133 K 4.7630 7.2331 116.3345 54.7372 34.4837 176.2414 134 R 4.6799 8.6537 120.7635 54.4648 32.9311 174.7875 135 A 5.1269 9.0310 126.0615 50.0228 22.5964 175.2862 136 V 4.5227 8.5795 120.1579 61.1267 34.9008 174.3286 137 V 4.3903 8.5334 128.8986 61.3435 33.3815 174.3980 138 L 4.9508 8.7249 128.6689 53.2064 43.7829 175.4425 139 S 5.0980 9.0745 120.6617 56.4063 64.9282 172.8486 140 S 5.4341 8.6412 121.9978 57.1530 65.7744 173.2955 141 R 4.8684 9.0788 120.3309 54.6515 34.2465 176.5243 142 G 3.3390 9.0000 110.0719 49.2689 0.0000 173.3317 143 G 4.4789 7.7058 108.2077 44.5443 0.0000 172.2415 144 I 4.8324 8.2829 121.8673 60.1323 39.1325 174.8091 145 H 4.8695 9.7396 121.9203 54.6550 30.8781 173.9696 146 K 3.6425 8.4099 120.7239 58.1688 32.0195 175.6405 147 D 4.4304 8.7881 124.1857 55.3311 38.4660 173.0329 148 T 4.7301 7.5256 108.4761 58.8258 71.5988 172.9942 149 P 4.3764 0.0000 0.0000 64.9528 31.2898 177.5625 150 T 4.1553 7.5827 107.3180 61.7716 69.1470 174.5152 151 D 4.8003 7.8749 122.7552 53.0575 40.7629 175.2669 152 L 4.6075 8.1727 125.3745 54.7607 43.2111 179.1425 153 I 4.0523 7.9550 113.4200 63.7610 37.6819 177.8463 154 A 4.0760 8.6777 122.8835 54.5234 18.3185 177.9069 155 P 4.2357 0.0000 0.0000 66.0296 31.3446 177.9494 156 Y 4.2311 8.2066 119.3488 60.6175 38.6954 177.9703 157 L 3.7195 8.5453 120.3663 57.5970 41.7611 179.4297 158 K 4.0664 8.3026 119.6303 59.4622 32.1384 179.1013 159 V 3.5779 7.9173 118.4991 65.8773 31.1656 177.7860 160 F 3.7967 8.3331 120.7037 61.2715 39.1628 177.0278 161 L 3.8357 8.0983 118.9009 57.6720 41.3200 179.8004 162 G 3.5365 8.0889 105.6527 47.7172 0.0000 175.4132 163 F 3.8774 7.8546 122.3675 60.5301 39.5473 176.2960 164 I 4.1571 6.9182 110.2547 60.7072 37.5409 176.8880 165 G 3.8876 7.6854 108.2148 46.5201 0.0000 174.8301 166 I 4.0718 7.5592 121.1618 60.5358 35.6538 175.1734 167 T 4.1905 8.0574 114.8966 62.0651 69.9892 175.1405 168 D 4.6807 7.7953 122.6405 52.9288 41.2319 174.0110 169 V 4.7600 8.0761 123.4775 60.8078 34.4382 173.7997 170 N 5.0589 9.1252 125.8860 51.8108 40.7095 173.8362 171 F 4.9205 8.9575 121.7230 55.5952 41.5043 175.0876 172 V 4.5256 8.7799 123.2863 61.0836 34.1394 174.1508 173 F 5.5204 9.1847 125.4339 55.8156 42.1965 175.2802 174 A 4.6322 9.0944 123.2159 50.5690 20.9786 174.9100 175 E 4.8980 8.8737 119.5196 56.0928 32.8599 176.5697 176 G 3.8887 8.9508 108.3525 46.2812 0.0000 175.8366 177 I 3.5417 7.4974 122.0715 64.1724 37.0624 177.1326 178 A 4.0958 7.5740 120.3303 53.4051 18.1364 176.9597 179 Y 4.7852 7.5551 113.8259 57.9528 38.1725 175.9623 180 G 4.0871 8.1865 107.0664 44.0589 0.0000 173.4568 181 P 4.2521 0.0000 0.0000 65.6751 30.9118 178.3853 182 E 3.8900 8.1079 118.4854 59.1454 29.7502 178.7746 183 V 3.6094 7.8307 117.5315 65.9675 31.6386 177.5153 184 A 4.0099 8.2561 120.3236 55.2150 18.1120 179.4608 185 A 4.7750 8.0504 120.5032 54.9032 18.3541 180.0902 186 K 3.9311 7.9948 116.8317 59.3493 32.0775 179.5326 187 A 4.0198 8.2076 121.2021 55.3163 18.3218 179.7430 188 Q 3.9151 8.5754 116.8208 58.8524 28.8174 178.8279 189 A 3.8866 8.1768 122.0717 55.3916 18.5035 179.4946 190 D 4.3276 8.4477 117.4794 57.3569 40.7628 178.8937 191 A 4.0905 8.2424 121.4478 55.1974 18.3191 179.8887 192 K 3.8016 8.2634 116.9210 59.3191 31.9590 179.5254 193 A 4.2747 8.1730 122.2450 54.5845 18.4119 179.5627 194 A 4.0677 8.2308 119.3659 55.3133 18.3542 179.9826 195 I 3.9026 8.1828 118.7075 64.6839 37.2970 178.2092 196 D 4.4014 8.6312 120.1293 57.6979 40.7735 179.2362 197 S 4.2642 8.0392 115.0687 61.5144 62.5952 176.9421 198 V 3.7068 7.5903 119.6398 66.0702 31.4134 178.0040 199 V 3.6220 8.0165 117.1383 65.7746 31.3923 177.5032 200 A 4.0297 7.9906 119.1982 54.0303 18.4102 177.6558 201 A 4.2501 7.6906 123.2758 52.7485 18.6341 177.0776 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 M 8.30 4.63 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.79 0.00 2 S 9.24 4.95 0.00 4.27 3.80 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 3 K 9.56 4.90 0.00 1.68 1.57 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.66 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.32 1.32 7.81 4 V 8.75 4.53 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.06 0.00 0.00 5 L 8.82 4.85 0.00 1.34 1.33 0.76 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.87 4.52 1.97 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 0.86 0.00 0.00 0.81 0.00 0.00 7 L 8.94 4.82 0.00 1.30 1.18 0.61 0.40 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 8 K 8.50 4.72 0.00 1.64 1.64 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.29 7.81 9 S 8.41 4.47 0.00 3.72 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 10 S 8.00 4.30 0.00 3.88 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 11 I 8.59 4.36 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 1.02 0.00 0.00 12 L 8.42 4.53 0.00 1.81 1.83 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.76 3.48 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 14 G 8.82 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 15 Y 7.76 4.35 0.00 3.17 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 16 S 8.05 4.25 0.00 3.97 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 17 Q 8.73 4.00 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 18 S 8.14 4.29 0.00 4.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.72 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.07 4.11 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 21 L 7.92 4.17 0.00 1.96 1.79 0.95 0.64 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 22 T 8.29 3.98 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 23 D 8.33 4.37 0.00 2.97 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 24 Y 8.12 4.03 0.00 3.18 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 25 F 8.62 3.92 0.00 3.41 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.23 3.85 2.09 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 1.49 0.73 0.96 0.00 0.00 27 E 8.45 3.87 0.00 2.02 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 2.17 2.31 0.00 28 Q 8.02 3.74 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 29 W 8.37 3.71 0.00 3.28 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 30 R 8.38 4.04 0.00 2.12 1.99 0.00 3.20 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 31 E 7.51 3.99 0.00 1.97 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 2.28 2.40 0.00 32 K 7.59 4.05 0.00 1.21 1.19 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.28 7.81 33 H 7.96 4.71 0.00 3.05 3.20 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.20 3.86 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 0.79 0.00 0.00 0.91 0.00 0.00 35 A 7.75 4.58 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 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0.00 *63 D 8.37 4.33 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.38 4.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.42 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 66 L 8.12 4.68 0.00 1.66 1.63 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.77 4.25 4.24 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 1.26 0.00 0.00 68 P 0.00 4.32 0.00 2.18 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 69 R 7.91 3.91 0.00 1.88 2.09 0.00 3.19 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 70 Q 8.07 4.01 0.00 2.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 71 Q 8.30 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 72 D 8.17 4.34 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.23 3.98 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 74 L 8.37 3.87 0.00 1.88 1.83 0.92 0.88 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 75 A 8.17 3.98 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 76 L 8.18 3.90 0.00 1.85 1.85 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 77 S 8.34 4.07 0.00 3.97 4.02 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 78 D 8.27 4.33 0.00 2.90 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 79 E 8.16 3.93 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.76 0.44 0.00 0.00 113 A 7.82 4.49 1.61 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 0.00 114 R 9.11 4.57 0.00 1.77 1.71 0.00 3.14 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 115 A 8.35 2.58 1.14 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 0.00 116 G 8.40 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 6.92 4.20 1.76 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 1.27 0.60 0.86 0.00 0.00 118 T 7.64 4.63 4.24 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 1.26 0.00 0.00 119 F 7.32 5.16 0.00 2.61 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.60 4.48 0.00 1.76 1.87 0.00 2.66 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 121 Y 8.43 5.29 0.00 2.92 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 0.00 122 T 8.73 4.80 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 1.24 0.00 0.00 123 E 8.83 4.04 0.00 2.09 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 2.28 2.40 0.00 124 K 7.90 4.30 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.51 7.81 125 G 8.12 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 0.00 126 P 0.00 4.62 0.00 1.89 2.29 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 127 E 9.08 4.43 0.00 1.86 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 128 G 8.59 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 0.00 0.00 0.00 129 L 8.96 4.50 0.00 1.50 1.62 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.20 4.17 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 0.96 0.00 0.00 0.89 0.00 0.00 131 T 8.09 4.36 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 132 G 8.51 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.23 4.76 0.00 1.60 1.71 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.53 7.81 134 R 8.65 4.68 0.00 1.75 1.83 0.00 3.16 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 135 A 9.03 5.13 1.09 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 0.00 136 V 8.58 4.52 1.64 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 0.82 0.00 0.00 0.93 0.00 0.00 137 V 8.53 4.39 1.19 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 0.69 0.00 0.00 0.43 0.00 0.00 138 L 8.72 4.95 0.00 1.50 1.54 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.07 5.10 0.00 3.77 3.56 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 0.00 0.00 0.00 0.00 140 S 8.64 5.43 0.00 3.97 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 0.00 141 R 9.08 4.87 0.00 1.95 1.89 0.00 3.45 0.00 0.00 3.59 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 142 G 9.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.71 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.28 4.83 1.93 0.00 0.00 1.00 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 0.96 0.96 0.00 0.00 145 H 9.74 4.87 0.00 3.17 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.41 3.64 0.00 1.30 1.51 0.00 0.74 0.00 0.00 1.32 0.00 0.00 2.33 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 0.38 7.81 147 D 8.79 4.43 0.00 2.79 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 0.00 148 T 7.53 4.73 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 1.28 0.00 0.00 149 P 0.00 4.38 0.00 2.05 2.13 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 150 T 7.58 4.16 4.52 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 1.24 0.00 0.00 151 D 7.87 4.80 0.00 2.89 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 0.00 152 L 8.17 4.61 0.00 1.74 1.70 0.93 0.82 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 0.00 153 I 7.95 4.05 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.32 1.03 0.00 0.00 154 A 8.68 4.08 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 0.00 155 P 0.00 4.24 0.00 2.33 2.34 0.00 3.69 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 2.30 2.06 0.00 156 Y 8.21 4.23 0.00 3.11 3.38 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 0.00 157 L 8.55 3.72 0.00 2.21 1.84 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.30 4.07 0.00 2.04 2.04 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.59 7.81 159 V 7.92 3.58 2.28 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 0.95 0.00 0.00 1.00 0.00 0.00 160 F 8.33 3.80 0.00 2.70 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 0.00 161 L 8.10 3.84 0.00 1.74 1.74 0.90 1.09 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 0.00 162 G 8.09 3.54 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 0.00 163 F 7.85 3.88 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 0.00 164 I 6.92 4.16 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.66 0.00 0.00 165 G 7.69 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 0.00 0.00 0.00 166 I 7.56 4.07 1.90 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 1.31 0.53 0.86 0.00 0.00 167 T 8.06 4.19 4.24 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 1.18 0.00 0.00 168 D 7.80 4.68 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 8.08 4.76 2.13 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 0.31 0.00 0.00 0.91 0.00 0.00 170 N 9.13 5.06 0.00 2.64 2.76 0.00 0.00 6.43 7.72 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 0.00 171 F 8.96 4.92 0.00 2.95 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 0.00 172 V 8.78 4.53 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 1.12 0.00 0.00 1.02 0.00 0.00 173 F 9.18 5.52 0.00 2.96 2.98 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 0.00 174 A 9.09 4.63 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 0.00 175 E 8.87 4.90 0.00 1.90 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 2.36 2.39 0.00 176 G 8.95 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 0.00 0.00 0.00 177 I 7.50 3.54 1.82 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 1.45 0.86 0.90 0.00 0.00 178 A 7.57 4.10 0.99 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 0.00 0.00 179 Y 7.56 4.79 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 G 8.19 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 0.00 181 P 0.00 4.25 0.00 2.29 2.34 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 182 E 8.11 3.89 0.00 2.07 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 2.40 2.38 0.00 183 V 7.83 3.61 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 1.17 0.00 0.00 1.00 0.00 0.00 184 A 8.26 4.01 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 0.00 185 A 8.05 4.77 1.44 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 0.00 0.00 186 K 7.99 3.93 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 187 A 8.21 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 8.58 3.92 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 189 A 8.18 3.89 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 0.00 190 D 8.45 4.33 0.00 2.85 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 0.00 191 A 8.24 4.09 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 0.00 192 K 8.26 3.80 0.00 1.64 1.05 0.00 1.29 0.00 0.00 0.64 0.00 0.00 2.58 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.38 1.30 7.81 193 A 8.17 4.27 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 0.00 194 A 8.23 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.18 3.90 2.34 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 1.88 1.02 1.12 0.00 0.00 196 D 8.63 4.40 0.00 2.90 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 0.00 197 S 8.04 4.26 0.00 4.09 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 0.00 198 V 7.59 3.71 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 1.10 0.00 0.00 1.09 0.00 0.00 199 V 8.02 3.62 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 0.47 0.00 0.00 0.63 0.00 0.00 200 A 7.99 4.03 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 0.00 201 A 7.69 4.25 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 * Residues marked with a * may have inaccurate shift predictions.