NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9736 8.2133 109.7367 45.2313 0.0000 174.7902 6 D 4.2049 8.8587 125.6809 57.0125 41.2398 176.0751 7 N 4.4366 8.5367 115.7035 56.4045 40.0716 175.4296 8 E 4.0930 8.3692 118.2890 59.3681 29.9398 179.4549 9 K 4.2576 8.0665 117.1398 56.6684 31.7774 178.9633 *11 A 4.2106 8.2115 123.5070 52.2337 20.5256 179.7888 12 A 3.9876 7.9149 117.2405 55.0923 18.3560 179.6273 13 L 3.9052 7.9420 118.7979 58.4589 42.2521 178.9850 14 E 3.9576 8.2369 117.7806 59.3925 29.3748 179.0231 15 A 3.9062 7.9667 120.7008 55.1171 18.4344 179.8612 16 K 3.9174 7.7972 117.0528 59.4830 32.1227 179.5310 17 I 3.6831 7.8067 120.0345 64.6359 37.0148 177.9155 18 C 4.0078 8.0043 117.2600 63.4698 28.0520 175.9467 19 H 4.2226 7.9856 117.3716 59.0133 28.2973 177.7170 20 Q 3.7493 8.1177 121.0789 59.2479 28.9414 178.3022 21 I 3.8359 7.7428 120.8009 64.5299 36.9211 178.3492 22 E 4.1002 8.2787 118.6040 59.3099 29.5014 178.5836 23 Y 4.2121 8.1447 119.6879 60.9753 38.7074 177.5078 24 Y 4.4964 7.5121 116.1358 61.1469 38.0723 178.0014 25 F 4.6118 8.1907 115.4177 56.7317 39.5148 175.9556 26 G 4.0102 7.4492 109.7056 44.1142 0.0000 174.9802 27 D 4.2086 8.5473 118.6022 56.6434 40.7222 177.7764 28 F 4.7327 7.9743 114.9682 57.2479 39.8550 174.9728 29 N 4.7342 7.7835 118.0818 55.1143 41.1926 175.6357 30 L 3.8720 7.8582 119.8606 57.8084 42.0216 177.2855 31 P 4.3947 0.0000 0.0000 64.2433 31.3550 176.9956 32 R 4.4521 7.9345 113.2710 55.7114 29.8383 176.5216 33 D 4.6988 7.7516 119.7449 52.5229 40.7396 176.0831 34 K 3.8834 8.3227 126.9894 59.1383 32.1130 177.7774 35 F 4.1333 8.2052 120.2908 61.2819 39.5479 176.7292 36 L 3.8997 8.3373 120.0245 57.9482 41.6339 178.9787 37 K 3.8966 7.9451 117.5912 59.4349 32.1528 178.4751 38 E 4.0337 8.1061 118.7703 60.0364 29.4172 179.7033 39 Q 3.9413 7.5266 117.1063 58.9795 28.4115 178.6508 40 I 4.0842 7.6361 118.8879 62.8376 36.9940 177.8600 41 K 4.2379 7.5943 119.1284 58.3713 32.1690 178.1158 42 L 4.1665 7.3984 117.4204 57.5057 41.9880 177.0867 43 D 4.6070 8.0117 116.6981 54.4642 42.0058 174.2266 44 E 3.5788 9.6449 125.9086 56.7174 27.2686 175.9588 45 G 3.8461 7.6218 108.9272 44.8013 0.0000 174.9652 46 W 4.6733 7.5235 120.0300 56.9007 29.8063 175.9923 47 V 4.5324 8.9808 124.0526 60.2799 34.3049 173.0252 48 P 4.7746 0.0000 0.0000 62.4466 31.8574 177.6303 49 L 3.8055 8.4915 124.1071 57.6941 41.6206 178.8817 50 E 4.4585 8.1029 117.0594 59.2954 29.7694 177.0170 51 I 4.2596 7.6378 119.5016 61.8851 37.1601 177.3929 *53 I 4.3170 7.7563 113.2615 60.4601 39.1021 176.2216 54 K 4.2497 8.1694 120.0991 58.1566 32.4371 177.7115 55 F 4.2067 8.4170 119.5438 56.8319 40.0856 175.6592 56 N 4.3840 8.7861 121.5470 56.6522 38.0854 177.7615 57 R 4.0420 8.2062 118.9798 59.0312 30.2489 178.6739 58 L 3.9247 8.1918 120.1583 58.2573 41.9288 178.4272 59 N 4.3950 8.3411 115.9499 57.0295 38.9314 176.7900 60 R 4.1067 7.7868 117.8289 58.7042 30.1262 178.8542 61 L 4.1936 7.2198 118.1209 56.4670 42.2830 176.9787 62 T 4.4882 7.2526 109.3325 61.6609 70.4602 172.7995 63 T 4.5558 8.5163 115.4656 61.2921 69.5182 173.7390 64 D 4.6195 8.2676 123.1803 53.6678 42.0664 176.7000 65 F 4.4561 8.8330 126.5968 60.8688 39.0625 177.0270 66 N 4.3613 8.2634 115.6968 56.6003 38.3611 177.5952 67 V 3.6241 7.9887 118.8407 65.9022 31.7089 177.9212 68 I 3.7024 7.6564 119.2445 64.5049 37.0299 178.5619 69 V 3.5895 7.8587 118.9839 65.9002 31.0861 177.6830 70 E 3.8972 8.0238 117.9029 59.0878 29.9171 178.0840 71 A 4.1373 8.0859 120.8559 55.6266 18.3293 179.7773 72 L 4.0123 8.0067 117.1855 57.6807 41.4313 179.8895 73 S 4.2375 7.8766 112.9980 60.2897 62.9333 175.0760 74 K 4.4343 7.4107 119.1467 55.8077 32.5369 176.3317 75 S 4.2511 7.5912 114.6884 58.3156 62.6839 174.2044 76 K 4.2560 8.4816 124.5636 57.2432 32.5163 177.8059 77 A 4.0999 7.8351 121.4589 52.8523 18.5514 177.4964 78 E 3.7525 8.0912 113.2546 57.7540 26.9438 174.3983 79 L 4.3588 7.7672 118.0400 55.5630 43.3908 175.2151 *81 E 4.4378 7.9434 116.5371 56.6945 31.3415 174.4158 82 I 5.1379 8.2140 121.8639 59.3364 40.0497 175.9244 83 S 3.5869 8.6797 121.0517 57.7804 63.6484 175.0906 84 E 3.8617 8.5503 120.5878 59.2267 29.2289 177.9360 85 D 4.5490 7.7433 114.7469 52.3799 39.9460 176.3719 86 K 3.8443 7.6745 118.0370 57.9562 30.0428 176.1940 87 T 4.4406 7.9479 109.3288 61.8536 70.4728 174.0697 88 K 5.2189 7.7889 120.5145 54.8043 37.0298 175.1257 89 I 5.6117 8.6965 114.9840 59.8281 41.4536 174.0206 90 R 4.4835 7.9774 117.3699 54.5701 32.3862 174.6652 91 R 3.9549 8.0083 121.4370 55.9540 30.9167 176.2973 92 S 4.0486 8.7480 121.6880 57.6675 62.8878 173.1437 93 P 4.3685 0.0000 0.0000 64.7143 31.2896 177.4126 94 S 4.2840 7.8493 114.8780 60.2255 63.2897 174.5337 95 K 4.5674 7.5338 119.4826 53.8318 31.7312 173.9405 96 P 4.4604 0.0000 0.0000 61.7029 32.6915 177.2691 97 L 3.9923 8.0888 119.5018 53.9705 42.0880 175.7592 98 P 4.0826 0.0000 0.0000 62.2346 31.7736 175.9047 99 E 3.8714 8.3220 123.1565 56.3091 30.0659 177.7075 100 V 3.8714 8.0067 127.3355 61.8294 30.2792 175.3217 101 T 4.5667 7.6310 115.7915 59.3195 72.6058 175.0643 102 D 4.4077 8.5384 120.5936 57.8518 40.7053 179.0882 103 E 3.9970 8.2061 118.3068 59.4365 29.5075 178.6213 104 Y 4.1010 8.0545 119.4827 60.8485 38.9243 178.4273 105 K 3.8695 8.2101 119.3474 59.4246 32.1801 179.1806 106 N 4.3207 8.3265 116.9363 56.1296 38.1796 177.0407 107 D 4.2375 7.6044 118.3704 57.2340 41.6750 178.0788 108 V 3.6882 7.4702 118.7070 65.9638 31.5878 177.7897 109 K 3.9210 8.0750 119.2841 59.6492 31.8178 178.1174 110 N 4.6117 8.0436 114.8940 54.7225 38.6378 175.5851 111 R 4.9745 7.9329 116.8707 55.9122 31.2807 174.9826 112 S 5.4815 8.4192 115.5555 57.7152 65.5599 173.4355 113 V 4.9498 8.7055 122.2043 61.5072 35.4030 173.1964 114 Y 5.1940 9.2820 129.0411 56.5388 40.5818 174.1366 115 I 4.8821 8.1518 126.6040 59.2260 41.2478 174.1568 116 K 4.3731 9.3292 127.8571 53.5342 34.7911 175.2259 117 G 3.2176 7.5796 121.5557 45.0883 0.0000 173.3324 118 F 4.0344 6.9410 120.1059 55.7851 39.9982 173.7197 119 P 4.4671 0.0000 0.0000 62.8042 31.7325 177.5757 120 T 4.0447 8.3538 109.8830 64.2589 68.9584 174.8707 121 D 4.6207 8.0782 119.4426 53.2779 39.9958 176.3570 122 A 4.2507 7.8309 123.6979 52.6198 19.0895 177.9252 123 T 4.3595 8.4187 112.0443 59.7566 72.2227 175.8788 124 L 3.6698 8.0580 122.7006 58.4160 41.9804 178.5847 125 D 4.3232 8.0304 118.1243 57.6762 40.9094 178.4643 126 D 4.4526 8.1556 119.0619 57.6302 40.8479 179.1582 127 I 3.5957 7.5839 120.1080 64.1326 36.8006 178.6109 128 K 3.8818 7.9835 118.6371 59.3336 32.2508 178.6082 129 E 4.5357 8.1887 120.8336 58.6617 29.3846 178.6079 130 W 4.2492 8.0170 126.5560 60.5504 31.1244 177.3737 131 L 4.0658 8.2600 117.6096 56.0991 41.0356 178.5598 132 E 3.9636 7.7069 119.4509 58.8534 29.1296 178.2611 133 D 5.0568 7.6245 115.4017 54.0974 41.3509 176.7721 134 K 4.3173 7.7189 117.5159 55.5403 32.7225 176.0776 135 G 4.0240 8.0955 105.1045 43.6989 0.0000 173.2518 136 Q 4.1092 8.8084 120.7515 55.8888 29.9507 174.5549 137 V 4.3229 8.2276 126.6915 61.3562 32.6617 175.1448 138 L 4.5571 8.6181 127.1199 55.6233 43.3918 176.2664 139 N 4.9264 7.3934 115.8178 52.2297 42.5433 173.0958 140 I 4.7935 8.1897 125.2026 59.8837 40.1043 174.3059 141 Q 4.8284 8.8629 131.4458 54.6061 32.6421 173.5108 *143 R 4.4949 8.3818 114.7552 56.5705 31.6864 175.2899 144 R 5.1465 8.5218 121.3434 54.2668 34.1722 175.1397 145 T 4.2942 8.3570 110.8854 60.6560 69.9850 175.3875 146 L 3.8529 8.5066 121.0510 58.2809 41.4316 178.3729 147 H 4.7216 7.8603 111.9621 55.4466 28.6005 175.7869 148 K 3.9882 8.2127 117.0020 56.6549 30.0876 176.2723 149 A 4.2156 7.6213 122.4163 51.5967 19.0226 177.3095 150 F 4.8832 8.6369 124.3373 57.9989 39.9127 175.8551 151 K 3.7988 8.6982 128.3164 57.7162 32.2462 178.3606 152 G 3.2444 5.4012 106.9074 44.3609 0.0000 172.4595 153 S 5.2126 6.9093 112.9858 56.2218 66.0002 173.2555 154 I 4.8094 8.3934 113.8951 59.3713 41.5293 173.6910 155 F 5.6753 8.5247 121.5045 55.9940 41.6610 175.0734 156 V 4.7802 8.9015 121.9215 61.0429 35.2926 174.0899 157 V 4.7147 8.0932 126.6264 61.2430 33.2527 175.1546 158 F 4.9321 8.8559 127.1293 56.5203 39.7491 175.8542 159 D 4.7567 8.8092 121.0151 56.3000 40.0500 176.4818 160 S 4.7681 7.9514 111.6225 55.5242 66.2549 174.7958 161 I 3.8492 8.4006 121.5451 64.3891 36.7558 178.5962 162 E 3.9658 8.1336 119.1300 59.6417 29.5435 179.4037 163 S 4.0614 7.9106 114.9079 61.3302 62.7504 176.6860 164 A 2.8801 7.6968 123.0009 54.7269 18.1796 179.7729 165 K 4.0698 8.3023 117.2075 59.5260 31.9256 179.3732 166 K 3.8775 7.6667 118.5165 59.4048 32.1185 178.2401 167 F 4.2312 7.8295 120.3293 61.4879 39.1406 177.3349 168 V 3.3401 7.6980 116.4964 65.5629 31.3554 176.9571 169 E 4.3346 7.8899 115.6804 56.0437 29.7823 176.6451 170 T 4.0928 6.8946 117.6327 62.5602 68.9607 172.9324 171 P 4.3776 0.0000 0.0000 64.4297 32.4096 177.0500 172 G 4.1589 7.6791 106.8254 44.4129 0.0000 173.1928 173 Q 4.4631 7.7250 117.9354 55.0108 30.2558 176.0727 174 K 4.8841 8.5739 120.3123 54.8156 36.4331 175.1562 175 Y 4.5130 8.3742 122.5666 56.4319 40.6976 177.4523 176 K 3.6072 8.2720 129.1564 57.7299 31.3916 177.8661 177 E 4.1960 9.2277 127.2581 58.2029 30.4609 175.9848 178 T 4.5227 7.7109 115.3734 59.9306 69.1224 173.2224 179 D 4.6986 8.5010 128.1901 54.3699 41.5858 175.5280 180 L 4.6531 7.8680 122.8357 53.0525 44.0784 175.5993 181 L 4.5414 8.2630 124.5302 53.7858 43.7962 175.1728 182 I 5.1246 8.3483 126.3529 59.6089 40.0416 174.8165 183 L 5.0220 8.9748 126.1601 52.5668 46.3354 176.5264 184 F 4.5269 8.9308 120.5988 57.2975 39.9688 176.4559 185 K 4.0795 9.0240 125.5357 59.7412 32.3395 178.6408 186 D 4.3237 8.4428 117.6346 57.5597 40.7202 177.5268 187 D 4.6122 8.1398 116.6719 56.0345 41.2508 176.1835 188 Y 4.5154 7.4181 119.7621 56.9265 39.7064 175.1000 189 F 3.9576 7.0979 121.8068 57.6517 40.1321 174.6319 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 5 G 8.21 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 6 D 8.86 4.20 0.00 2.76 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 7 N 8.54 4.44 0.00 2.71 2.89 0.00 0.00 6.82 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 8 E 8.37 4.09 0.00 2.00 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 0.00 2.38 2.34 0.00 9 K 8.07 4.26 0.00 1.88 1.80 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.39 7.81 *11 A 8.21 4.21 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 12 A 7.91 3.99 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 13 L 7.94 3.91 0.00 1.88 1.68 0.93 1.06 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 14 E 8.24 3.96 0.00 2.04 1.98 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 2.41 2.39 0.00 15 A 7.97 3.91 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 16 K 7.80 3.92 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 I 7.81 3.68 2.02 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 1.55 1.09 0.93 0.00 0.00 18 C 8.00 4.01 0.00 3.04 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 19 H 7.99 4.22 0.00 3.31 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.12 3.75 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.30 1.92 0.00 21 I 7.74 3.84 1.91 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 1.66 0.57 1.05 0.00 0.00 22 E 8.28 4.10 0.00 2.08 2.08 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 2.37 2.36 0.00 23 Y 8.14 4.21 0.00 3.05 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 24 Y 7.51 4.50 0.00 3.07 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 25 F 8.19 4.61 0.00 2.97 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 26 G 7.45 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 0.00 0.00 0.00 27 D 8.55 4.21 0.00 2.27 2.35 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 28 F 7.97 4.73 0.00 3.07 3.16 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 0.00 0.00 0.00 29 N 7.78 4.73 0.00 2.15 2.51 0.00 0.00 6.75 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 30 L 7.86 3.87 0.00 1.71 1.71 0.80 1.17 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 31 P 0.00 4.39 0.00 2.04 2.04 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 32 R 7.93 4.45 0.00 1.93 2.01 0.00 3.11 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 33 D 7.75 4.70 0.00 3.03 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 34 K 8.32 3.88 0.00 1.88 1.83 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.52 7.81 35 F 8.21 4.13 0.00 3.03 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 36 L 8.34 3.90 0.00 2.03 1.61 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.95 3.90 0.00 1.96 1.83 0.00 2.00 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 E 8.11 4.03 0.00 2.04 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 2.30 2.35 0.00 39 Q 7.53 3.94 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 40 I 7.64 4.08 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.01 0.90 0.00 0.00 41 K 7.59 4.24 0.00 1.65 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.67 7.81 42 L 7.40 4.17 0.00 1.70 1.74 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.01 4.61 0.00 2.70 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 44 E 9.64 3.58 0.00 2.29 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 2.25 2.33 0.00 45 G 7.62 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 46 W 7.52 4.67 0.00 3.30 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 47 V 8.98 4.53 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 1.03 0.00 0.00 1.12 0.00 0.00 48 P 0.00 4.77 0.00 2.14 1.96 0.00 3.69 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 2.14 2.14 0.00 49 L 8.49 3.81 0.00 0.27 0.56 0.52 0.97 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 50 E 8.10 4.46 0.00 2.09 2.18 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 2.92 2.60 0.00 51 I 7.64 4.26 2.07 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 1.46 0.62 1.10 0.00 0.00 *53 I 7.76 4.32 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.71 1.17 0.00 0.00 54 K 8.17 4.25 0.00 2.09 1.95 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.79 7.81 55 F 8.42 4.21 0.00 3.02 2.87 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 56 N 8.79 4.38 0.00 2.75 2.89 0.00 0.00 7.15 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 57 R 8.21 4.04 0.00 2.06 2.12 0.00 3.14 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 58 L 8.19 3.92 0.00 2.02 2.11 1.01 1.07 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 59 N 8.34 4.40 0.00 3.11 3.08 0.00 0.00 7.32 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 60 R 7.79 4.11 0.00 2.01 2.01 0.00 3.23 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 61 L 7.22 4.19 0.00 1.66 1.75 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.25 4.49 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 1.28 0.00 0.00 63 T 8.52 4.56 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 1.28 0.00 0.00 64 D 8.27 4.62 0.00 2.78 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 65 F 8.83 4.46 0.00 3.03 3.03 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 66 N 8.26 4.36 0.00 3.01 2.92 0.00 0.00 6.68 8.43 0.00 0.00 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 V 7.99 3.62 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 1.10 0.00 0.00 0.96 0.00 0.00 68 I 7.66 3.70 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.90 0.00 0.00 69 V 7.86 3.59 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 1.00 0.00 0.00 0.97 0.00 0.00 70 E 8.02 3.90 0.00 2.15 2.09 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 2.33 2.33 0.00 71 A 8.09 4.14 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 72 L 8.01 4.01 0.00 1.71 1.71 0.88 0.85 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 73 S 7.88 4.24 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.41 4.43 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.47 7.81 75 S 7.59 4.25 0.00 3.76 3.75 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 76 K 8.48 4.26 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 77 A 7.84 4.10 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 78 E 8.09 3.75 0.00 2.12 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 0.00 2.21 2.40 0.00 79 L 7.77 4.36 0.00 1.76 1.59 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *81 E 7.94 4.44 0.00 1.82 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 2.28 2.27 0.00 82 I 8.21 5.14 1.90 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 1.41 0.63 0.89 0.00 0.00 83 S 8.68 3.59 0.00 2.90 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 84 E 8.55 3.86 0.00 1.84 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 2.24 2.20 0.00 85 D 7.74 4.55 0.00 2.70 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 86 K 7.67 3.84 0.00 1.94 1.94 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.32 7.81 87 T 7.95 4.44 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 1.25 0.00 0.00 88 K 7.79 5.22 0.00 1.43 1.77 0.00 1.36 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.26 7.81 89 I 8.70 5.61 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.89 0.00 0.00 90 R 7.98 4.48 0.00 1.32 1.21 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 91 R 8.01 3.95 0.00 1.81 1.81 0.00 3.50 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 92 S 8.75 4.05 0.00 3.79 3.63 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.16 4.45 0.00 2.86 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 0.00 127 I 7.58 3.60 1.54 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.27 0.54 0.00 0.00 128 K 7.98 3.88 0.00 1.80 1.82 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.41 7.81 129 E 8.19 4.54 0.00 2.18 2.17 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 2.35 2.38 0.00 130 W 8.02 4.25 0.00 3.66 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.26 4.07 0.00 1.90 1.60 0.82 0.95 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 0.00 132 E 7.71 3.96 0.00 2.07 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 2.31 2.67 0.00 133 D 7.62 5.06 0.00 2.54 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 0.00 134 K 7.72 4.32 0.00 1.71 1.89 0.00 1.72 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.12 1.10 7.81 135 G 8.10 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 0.00 0.00 0.00 136 Q 8.81 4.11 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 137 V 8.23 4.32 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 0.55 0.00 0.00 0.41 0.00 0.00 138 L 8.62 4.56 0.00 1.12 1.64 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.39 4.93 0.00 2.25 2.17 0.00 0.00 7.00 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 0.00 140 I 8.19 4.79 1.68 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.59 0.73 0.00 0.00 141 Q 8.86 4.83 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 *143 R 8.38 4.49 0.00 1.87 1.85 0.00 2.21 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 144 R 8.52 5.15 0.00 1.79 1.83 0.00 3.24 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 145 T 8.36 4.29 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 1.27 0.00 0.00 146 L 8.51 3.85 0.00 1.52 1.52 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 7.86 4.72 0.00 3.16 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.21 3.99 0.00 1.97 2.01 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.39 7.81 149 A 7.62 4.22 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 0.00 150 F 8.64 4.88 0.00 2.79 3.10 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 0.00 151 K 8.70 3.80 0.00 1.66 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.34 7.81 152 G 5.40 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 0.00 0.00 0.00 153 S 6.91 5.21 0.00 3.36 3.48 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 0.00 154 I 8.39 4.81 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.88 0.00 0.00 155 F 8.52 5.68 0.00 3.09 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 0.00 156 V 8.90 4.78 1.93 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 0.31 0.00 0.00 0.82 0.00 0.00 157 V 8.09 4.71 1.49 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 0.80 0.00 0.00 0.75 0.00 0.00 158 F 8.86 4.93 0.00 3.10 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 0.00 159 D 8.81 4.76 0.00 2.78 2.87 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 0.00 160 S 7.95 4.77 0.00 4.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 3.85 1.89 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 1.68 0.60 0.92 0.00 0.00 162 E 8.13 3.97 0.00 2.07 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 2.41 2.48 0.00 163 S 7.91 4.06 0.00 3.89 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 0.00 164 A 7.70 2.88 1.49 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 0.00 0.00 165 K 8.30 4.07 0.00 2.06 1.95 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.77 7.81 166 K 7.67 3.88 0.00 1.86 1.95 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 167 F 7.83 4.23 0.00 2.99 2.82 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 0.00 168 V 7.70 3.34 1.87 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 0.79 0.00 0.00 0.33 0.00 0.00 169 E 7.89 4.33 0.00 1.98 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 0.00 2.37 2.54 0.00 170 T 6.89 4.09 4.16 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 0.00 0.00 1.15 0.00 0.00 171 P 0.00 4.38 0.00 2.16 2.15 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 172 G 7.68 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 7.72 4.46 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 174 K 8.57 4.88 0.00 1.76 1.75 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 175 Y 8.37 4.51 0.00 2.38 2.51 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 0.00 176 K 8.27 3.61 0.00 1.85 0.93 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.99 0.45 7.81 177 E 9.23 4.20 0.00 2.07 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 2.26 2.24 0.00 178 T 7.71 4.52 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 1.25 0.00 0.00 179 D 8.50 4.70 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.87 4.65 0.00 1.38 1.31 0.54 0.70 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 0.00 181 L 8.26 4.54 0.00 1.76 1.47 0.98 1.02 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 0.00 182 I 8.35 5.12 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.85 0.00 0.00 183 L 8.97 5.02 0.00 1.84 1.70 1.18 0.83 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 0.00 184 F 8.93 4.53 0.00 3.25 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 0.00 185 K 9.02 4.08 0.00 1.90 1.85 0.00 1.17 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.33 1.41 7.81 186 D 8.44 4.32 0.00 2.71 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 0.00 187 D 8.14 4.61 0.00 3.03 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 0.00 188 Y 7.42 4.52 0.00 2.72 2.89 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 0.00 189 F 7.10 3.96 0.00 2.72 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 * Residues marked with a * may have inaccurate shift predictions.