NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5547 8.1733 122.0568 56.3311 34.2035 174.0948 3 I 4.7900 8.7910 128.5019 58.9358 40.3271 172.9492 4 A 4.7889 9.1374 130.6309 51.1775 20.7826 175.6792 5 V 4.5563 8.7954 123.4793 61.0612 33.8101 174.5714 6 L 4.4242 8.9670 129.5207 54.2997 43.4109 177.5857 7 G 3.9299 8.6850 110.6880 46.5732 0.0000 175.6919 8 A 4.0164 7.4348 125.3292 54.5791 18.5866 180.2271 9 T 4.2228 7.7721 103.8036 62.4559 69.6853 175.6617 10 G 3.8875 7.7017 110.2349 43.9380 0.0000 174.4802 11 R 3.7859 8.2562 117.7828 59.2311 30.0617 179.1060 12 A 4.1638 7.7957 120.0538 55.0937 18.4448 179.6298 13 G 3.5878 8.0546 104.0305 48.0963 0.0000 175.9113 14 S 4.2608 8.5717 118.0830 60.3524 63.0038 176.4665 15 A 3.9899 7.6576 123.1636 54.9802 18.0723 179.6440 16 I 3.6598 7.9678 118.4929 64.4624 37.1494 178.7748 17 V 3.5714 8.0850 119.0872 65.9244 31.2552 177.9782 18 A 3.9703 7.9762 120.4796 55.1805 18.3222 179.2727 19 E 3.8681 8.4158 117.7224 59.1914 29.7165 178.7084 20 A 4.0560 8.4125 121.3168 55.4778 18.4521 179.9193 21 R 3.8994 8.1961 116.5244 59.3038 29.8943 179.1660 22 R 3.9512 8.1762 118.0646 59.0879 30.0669 177.7674 23 R 4.4767 7.6342 115.1064 55.5128 30.2240 176.7830 24 G 3.7987 7.7646 106.5023 46.4368 0.0000 173.3990 25 H 4.8458 7.8522 115.6440 53.9341 30.8034 174.6232 26 E 4.2364 8.6728 122.6546 55.8818 30.6297 175.1134 27 V 4.7228 8.3935 127.1426 61.2497 33.6446 174.5346 28 L 4.7614 9.0183 129.8062 53.2995 44.4455 174.9549 29 A 4.6938 8.8840 130.3168 50.8403 19.1035 176.0502 30 V 4.4754 8.4369 123.9197 62.7708 32.9099 175.5688 31 V 4.8581 8.9198 120.6488 59.9321 36.0830 176.1760 32 R 4.4643 8.7477 116.3832 56.0018 31.0566 175.7635 33 D 4.7364 7.5920 118.2107 50.7454 41.6817 173.4179 34 P 4.3109 0.0000 0.0000 65.9791 31.3872 178.5406 35 Q 3.9847 8.0583 118.7018 60.1892 28.0630 180.1548 36 K 4.0175 8.8950 122.2361 59.3286 32.1419 178.7117 37 A 3.9364 8.1344 120.7740 55.0086 17.7854 179.4700 38 A 4.0082 8.5258 122.2542 56.0601 18.2353 180.2739 39 D 4.3793 8.2448 118.8324 58.0272 40.0640 180.1411 40 R 4.5267 8.1501 117.5378 56.8023 30.7446 177.2754 41 L 4.4325 7.9510 117.2892 54.5331 44.0751 177.5123 42 G 4.0265 7.7236 103.8307 44.6412 0.0000 174.5422 43 A 4.0125 8.5529 125.5537 55.2621 18.5133 179.3531 44 T 4.2897 7.7455 105.8329 60.8175 69.0641 179.6444 45 V 4.1517 7.3414 120.9678 62.0490 32.5682 175.4560 46 A 4.2895 8.4323 129.0204 52.4293 19.6090 176.0355 47 T 4.9854 8.3907 116.5701 61.5603 72.4433 173.2685 48 L 4.5052 9.1197 127.6638 53.4062 44.6576 175.6575 49 V 4.8257 8.3787 127.6751 61.3850 31.1258 174.4726 50 K 4.6035 8.0795 126.3948 54.7061 35.4050 174.9727 51 E 4.0902 8.8687 126.3110 55.9933 30.3418 176.3419 52 P 4.2069 0.0000 0.0000 65.7213 31.5157 177.8635 53 L 4.2660 8.0145 114.8516 55.6528 41.6590 177.1783 54 V 4.2980 7.6210 117.3009 61.9337 32.4413 175.5314 55 L 4.2347 7.7315 118.8159 56.2278 41.8838 176.5745 56 T 4.6907 8.4847 112.3626 59.4422 71.6423 174.8710 57 E 4.0884 8.7634 120.4724 59.5756 29.2144 179.4379 58 A 4.0233 8.0132 120.2270 55.3378 18.2542 179.0628 59 D 4.3882 7.8575 115.9877 56.8643 41.3245 178.1302 60 L 4.5620 7.7217 116.9060 54.5530 42.1174 177.6852 61 D 4.4374 7.7321 119.0960 56.4609 41.3726 177.0342 62 S 4.4034 7.9922 111.5154 59.1396 63.7628 174.2628 63 V 4.2677 7.2192 114.7532 60.4756 33.0101 175.5760 64 D 4.7767 8.9329 122.6008 55.8778 42.3249 176.1777 65 A 5.1423 7.7136 118.2407 50.4481 23.1919 175.1294 66 V 4.7593 8.9723 119.2557 61.0133 35.3482 174.4366 67 V 4.5333 8.6968 127.3119 61.1680 34.1528 173.9358 68 D 4.7393 8.9461 128.8145 52.7934 41.2396 175.5694 69 A 4.9601 8.3806 128.0383 51.3978 19.8250 176.5611 70 L 4.1034 8.1024 118.4225 56.3487 42.2332 176.3209 71 S 4.7659 8.1520 114.3867 57.0277 65.8096 172.8809 72 V 4.4581 8.0862 119.9407 60.0730 34.3157 173.2666 73 P 4.4695 0.0000 0.0000 62.0270 31.9369 176.0533 74 W 4.6090 8.6938 121.5982 58.2697 29.4992 176.4013 75 G 4.0434 8.5384 109.2439 46.4273 0.0000 174.9023 76 S 4.2522 7.8438 114.8296 58.5640 63.5229 175.7127 77 G 4.0187 8.4584 107.3993 45.4968 0.0000 173.4889 78 R 3.7826 7.6800 118.5588 55.3977 30.8643 178.5882 79 G 3.7114 8.4971 108.6790 47.8481 0.0000 175.4509 80 Y 2.6295 7.1265 119.2128 59.4331 37.6097 178.3407 81 L 3.3460 7.0937 121.0964 57.5417 41.5854 178.8105 82 H 4.2663 7.8042 116.0352 58.9722 28.6189 177.4375 83 L 4.0060 7.8241 121.1138 58.3492 42.1772 178.4186 84 D 4.2415 8.1165 119.0278 57.3804 40.7123 178.8249 85 F 4.5482 8.3225 118.3675 60.6600 38.8439 177.6520 86 A 4.3934 7.8803 119.6274 55.5311 18.3723 179.7431 87 T 3.4345 7.9070 108.6842 65.0018 68.3615 176.1473 88 H 4.1476 8.1217 120.1195 58.8454 30.2689 176.5576 89 L 4.1380 8.2055 122.2001 58.4346 41.9150 178.9128 90 V 3.8034 8.3484 118.5089 66.3371 31.1825 178.0652 91 S 4.2305 7.9192 112.2319 60.7253 62.9267 175.5426 92 L 4.4005 7.7020 120.7930 55.2049 41.7919 176.9719 93 L 4.6430 7.5396 117.9579 54.2057 42.0414 176.7432 94 R 4.0040 7.9088 118.8287 57.5950 30.5536 176.2390 95 N 4.2207 8.8464 119.4059 54.4656 36.2701 173.8780 96 S 4.7437 7.7261 108.8747 56.6692 65.8999 173.0541 97 D 4.5841 8.6039 123.4698 55.4169 41.1949 177.0773 98 T 4.1411 7.5900 116.6997 64.3077 69.0747 173.8795 99 L 4.5533 8.6684 126.2155 54.4594 43.4319 175.8426 100 A 5.0430 9.2384 125.1017 50.2332 21.9924 174.8075 101 V 4.7718 8.4827 123.3080 61.7886 33.5945 174.5370 102 F 5.0891 9.6299 127.0449 55.7165 41.4736 174.7675 103 I 4.4923 8.2839 125.6012 61.3076 37.6154 175.5747 104 L 4.9248 8.6819 129.6327 53.2749 44.4977 175.8148 105 G 4.1295 8.4439 108.0561 44.3684 0.0000 173.6351 106 S 4.1372 8.3899 112.8457 60.4629 62.6059 175.6547 107 A 4.1538 7.9250 121.7361 53.9128 18.2898 177.8036 108 S 4.5220 7.8034 108.6868 58.5116 63.8364 174.2466 109 L 4.4724 7.4063 121.2593 53.5738 42.4169 178.4429 110 A 4.8635 8.7503 129.3698 50.9166 20.8143 175.9597 *112 P 4.2018 0.0000 0.0000 65.0403 32.2454 177.3322 113 G 3.8295 9.3533 112.0495 45.2574 0.0000 172.7125 114 A 4.7164 7.5024 121.6675 50.7055 21.0983 176.0695 115 D 5.0316 8.4132 116.3922 52.7425 40.0949 175.2070 116 H 4.9152 7.6631 113.0451 54.2116 31.8194 173.0272 117 P 4.7137 0.0000 0.0000 62.3466 31.0468 176.7835 *119 I 2.0000 8.2979 116.9448 61.2382 39.4726 178.6691 120 L 3.9023 7.2951 118.8904 56.9436 41.4296 177.3981 121 D 4.7984 7.6475 115.6741 53.7979 41.5875 176.6472 122 F 4.6314 7.5578 118.6125 56.9992 39.6574 173.6390 123 P 4.4803 0.0000 0.0000 62.2077 32.2334 177.1063 124 E 3.8584 8.7221 120.6033 59.4210 29.4688 179.1959 125 S 4.0619 8.0231 113.4278 60.9633 62.8100 176.1210 126 A 3.6740 7.7729 124.5060 54.7210 17.8021 179.0034 127 A 2.9198 6.9212 117.2811 53.8676 18.4276 178.9839 128 S 4.1871 7.3513 112.1980 58.5631 63.8332 174.4703 129 Q 4.0955 7.0678 122.1951 54.2367 29.3265 175.4378 130 P 4.2685 0.0000 0.0000 64.6846 31.8545 178.2798 131 W 3.2253 6.7964 114.3074 57.4846 29.0383 177.9112 132 Y 3.6052 7.1139 120.8288 60.5100 38.1525 176.7460 133 D 4.4786 8.2282 118.7417 57.7021 41.1698 178.6848 134 G 3.7613 8.1519 105.0276 47.7470 0.0000 175.1980 135 A 4.0333 7.9962 123.2912 54.7161 18.3584 179.3297 136 L 3.3923 7.7401 119.0739 58.5993 42.1116 179.0169 137 Y 4.2052 7.8414 116.0134 60.8481 37.7572 178.2810 138 Q 4.2504 8.3717 119.4744 58.6381 28.7960 177.7716 139 Y 4.1636 8.1229 120.8501 61.0254 38.8152 177.7459 140 Y 4.2352 7.9506 117.7631 61.0744 37.9202 178.2061 141 E 3.9463 8.6691 120.6448 59.5621 29.4964 178.2976 142 Y 4.0721 7.9281 118.3124 60.8801 38.8787 177.8049 143 Q 3.7317 7.8252 118.9618 58.5082 28.5129 178.3002 144 F 4.0468 8.4558 121.2447 61.2559 39.4891 176.6622 145 L 2.9379 7.2481 117.2564 57.0133 42.3272 178.8410 146 Q 4.3162 6.5345 116.3053 55.7219 26.7478 178.1769 *148 N 4.4216 7.6246 115.3242 53.3910 39.1620 175.5311 149 A 4.1288 8.2320 123.9181 53.6808 19.1504 178.2732 150 N 5.0287 7.6147 112.7005 52.6974 39.2881 174.3970 151 V 4.5151 7.6898 116.5528 61.2850 35.0467 175.6094 152 N 4.7978 8.5283 124.4776 51.9489 36.6121 174.2372 153 W 5.4902 7.5250 117.9773 55.8392 31.6726 177.1740 154 I 4.9142 9.6740 121.8750 59.8366 41.0110 174.3029 155 G 4.7067 9.5060 114.3879 44.8209 0.0000 172.5132 156 I 5.1155 8.9565 124.9605 59.6258 40.9951 174.6118 157 S 4.9015 8.9642 124.0024 56.5254 64.7366 172.6290 158 P 4.5417 0.0000 0.0000 62.0585 32.3023 175.9331 159 S 4.3177 7.6943 117.0992 58.1788 63.3270 174.1879 160 E 4.1071 8.6937 121.4035 58.8544 29.9153 177.0504 161 A 4.7861 8.2852 121.3148 49.3258 21.4334 176.5739 162 F 6.0220 8.5585 123.7151 55.5776 38.3463 172.7796 163 P 4.5079 0.0000 0.0000 62.4953 33.3838 177.3849 164 S 4.3958 8.5943 116.2595 58.1667 63.1443 173.4134 165 G 4.2108 8.2252 113.1149 45.0590 0.0000 170.8145 166 P 4.9572 0.0000 0.0000 62.2533 32.3128 175.8522 167 A 4.1284 8.4848 122.5141 52.6695 18.7613 175.8008 168 T 4.4341 9.6775 107.6437 61.7002 71.4812 174.1658 169 S 4.8386 7.6247 113.9483 56.6418 68.2861 172.3765 170 Y 5.3336 7.9255 118.6322 55.3197 41.2018 174.6460 171 V 4.5124 9.0412 120.3090 61.1519 34.2274 174.1981 172 A 5.2575 8.7917 128.2538 50.5967 21.9161 176.2082 173 G 3.6239 9.0826 106.9549 46.1125 0.0000 170.4434 174 K 4.6653 9.2011 115.9814 56.0718 33.7808 176.2337 175 D 4.9302 8.3724 119.9444 54.3932 43.9523 175.3172 176 T 4.9899 7.7291 115.5285 61.0255 70.8237 173.8915 177 L 3.9100 8.5502 128.3042 55.9630 42.5460 176.3626 178 L 4.6450 8.4434 125.2009 53.1210 43.4435 176.0166 179 V 4.4537 8.1226 121.3891 61.0014 34.2302 175.6955 180 G 3.9757 8.7263 116.6128 44.0213 0.0000 173.7578 181 E 3.8677 8.6732 119.2532 58.8760 29.4975 177.1907 182 D 4.5253 8.1335 115.8253 53.0356 39.8141 176.9058 183 G 3.8702 8.3243 107.8765 46.2469 0.0000 173.2664 184 Q 4.5815 8.3767 118.6020 53.8023 31.7450 174.5114 185 S 4.9076 8.2863 112.7746 57.1009 64.7945 171.9672 186 H 5.5618 8.1729 121.5344 54.2718 32.4222 172.1575 187 I 5.3705 8.9776 120.3599 59.6737 41.3060 174.9314 188 T 4.8360 9.2882 120.0357 61.2076 69.6598 174.7043 189 T 4.1645 8.3773 113.7647 64.9853 69.0874 176.0010 190 G 3.7929 8.4936 111.2196 48.5946 0.0000 175.4130 191 N 4.6924 8.1895 117.7145 53.2988 38.4986 177.2987 *193 A 4.2586 8.1993 122.4272 52.3636 20.8154 179.6579 194 L 4.0298 8.1090 115.5320 58.1506 41.7285 179.7261 195 A 3.5330 7.8566 120.3857 54.9610 18.1330 179.7158 196 I 3.5825 7.5270 117.6966 64.6927 37.3016 178.6363 197 L 4.0192 8.1133 119.7252 57.5697 41.2836 179.2630 198 D 4.4092 8.4628 119.4489 57.5990 40.7904 178.9047 199 Q 4.1430 8.0546 118.3591 58.9555 28.4847 178.7199 200 L 3.9930 7.8610 119.0182 57.9666 41.7374 179.1278 201 E 4.4056 8.2143 117.2833 58.1352 30.7440 177.0210 202 H 4.8282 8.2491 115.2190 53.0978 29.8469 169.3610 203 P 4.8284 0.0000 0.0000 62.3025 31.6654 176.2670 204 T 4.4373 9.1280 117.1974 61.6319 69.1915 174.1237 205 A 4.7086 7.8292 123.7310 51.7360 19.6491 175.6776 206 I 3.8462 7.7373 120.4653 64.3607 37.3569 176.3675 207 R 2.0000 8.2256 124.3978 56.2271 28.0005 175.1031 208 D 4.9030 7.3434 115.6768 52.7544 45.6987 173.3646 209 R 5.4613 8.7860 121.1420 54.4438 32.4025 174.5403 210 I 5.0176 8.8138 119.2826 59.0764 41.3664 174.4775 211 V 4.9768 8.2187 121.4157 60.0399 34.8168 174.9653 212 V 5.1330 8.3290 114.5753 59.6831 35.7843 174.7602 213 R 5.0094 8.8821 119.4703 53.9612 33.3607 174.2472 214 D 4.9899 9.0268 120.0286 54.6070 41.3912 176.7258 215 A 4.3851 8.9709 127.4043 52.2452 20.0028 178.1477 216 D 4.5427 8.3882 116.6068 53.4578 40.6612 175.2732 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 K 8.17 4.55 0.00 1.87 1.76 0.00 1.63 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.62 7.81 3 I 8.79 4.79 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.88 0.00 0.00 4 A 9.14 4.79 1.21 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 0.00 0.00 5 V 8.80 4.56 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 0.93 0.00 0.00 0.91 0.00 0.00 6 L 8.97 4.42 0.00 1.70 1.40 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.68 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 0.00 0.00 0.00 8 A 7.43 4.02 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 9 T 7.77 4.22 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 1.19 0.00 0.00 10 G 7.70 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 11 R 8.26 3.79 0.00 1.62 1.75 0.00 3.00 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 1.60 1.58 0.00 12 A 7.80 4.16 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 13 G 8.05 3.59 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 0.00 14 S 8.57 4.26 0.00 4.03 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 0.00 15 A 7.66 3.99 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 16 I 7.97 3.66 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 1.42 0.74 0.90 0.00 0.00 17 V 8.08 3.57 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 1.00 0.00 0.00 0.99 0.00 0.00 18 A 7.98 3.97 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 19 E 8.42 3.87 0.00 2.12 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 2.50 2.40 0.00 20 A 8.41 4.06 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 21 R 8.20 3.90 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 22 R 8.18 3.95 0.00 1.88 2.15 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 23 R 7.63 4.48 0.00 2.12 2.12 0.00 3.33 0.00 0.00 3.59 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 24 G 7.76 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 0.00 0.00 0.00 25 H 7.85 4.85 0.00 3.17 3.26 0.00 5.85 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 26 E 8.67 4.24 0.00 2.06 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 2.31 0.00 27 V 8.39 4.72 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 0.81 0.00 0.00 0.94 0.00 0.00 28 L 9.02 4.76 0.00 1.73 1.49 0.91 1.05 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 29 A 8.88 4.69 1.23 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 0.00 0.00 30 V 8.44 4.48 2.03 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 0.94 0.00 0.00 0.90 0.00 0.00 31 V 8.92 4.86 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 0.82 0.00 0.00 0.92 0.00 0.00 32 R 8.75 4.46 0.00 1.88 2.00 0.00 2.98 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 33 D 7.59 4.74 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.19 2.09 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 35 Q 8.06 3.98 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 36 K 8.90 4.02 0.00 2.13 1.89 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.45 7.81 37 A 8.13 3.94 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 38 A 8.53 4.01 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 39 D 8.24 4.38 0.00 2.78 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 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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 0.00 0.00 107 A 7.93 4.15 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 0.00 108 S 7.80 4.52 0.00 3.94 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 0.00 109 L 7.41 4.47 0.00 1.63 1.58 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.75 4.86 1.21 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 0.00 0.00 *112 P 0.00 4.20 0.00 1.97 2.04 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 113 G 9.35 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.50 4.72 1.16 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 0.00 115 D 8.41 5.03 0.00 2.78 2.73 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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0.00 125 S 8.02 4.06 0.00 3.99 4.04 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 0.00 126 A 7.77 3.67 1.12 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 0.00 0.00 127 A 6.92 2.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.35 4.19 0.00 3.83 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 0.00 129 Q 7.07 4.10 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.80 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 130 P 0.00 4.27 0.00 2.34 2.21 0.00 3.48 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 2.23 2.09 0.00 131 W 6.80 3.23 0.00 2.59 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 0.00 0.00 0.00 0.00 132 Y 7.11 3.61 0.00 2.27 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 0.00 133 D 8.23 4.48 0.00 2.89 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 0.00 134 G 8.15 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.00 4.03 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.74 3.39 0.00 0.79 1.37 0.37 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 7.84 4.21 0.00 3.29 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 0.00 138 Q 8.37 4.25 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 139 Y 8.12 4.16 0.00 2.93 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 0.00 140 Y 7.95 4.24 0.00 3.23 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 0.00 141 E 8.67 3.95 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 142 Y 7.93 4.07 0.00 2.86 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.83 3.73 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 144 F 8.46 4.05 0.00 2.83 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 0.00 145 L 7.25 2.94 0.00 0.70 0.13 0.36 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 6.53 4.32 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.06 0.00 *148 N 7.62 4.42 0.00 2.82 2.81 0.00 0.00 6.88 7.54 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 0.00 149 A 8.23 4.13 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 N 7.61 5.03 0.00 2.66 2.80 0.00 0.00 6.66 7.56 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 0.00 151 V 7.69 4.52 2.33 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 1.08 0.00 0.00 1.02 0.00 0.00 152 N 8.53 4.80 0.00 2.91 2.75 0.00 0.00 6.76 7.68 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 0.00 153 W 7.52 5.49 0.00 3.73 3.42 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 0.00 154 I 9.67 4.91 1.99 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 1.25 0.75 1.01 0.00 0.00 155 G 9.51 4.71 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 0.00 0.00 0.00 156 I 8.96 5.12 1.86 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 1.23 0.76 0.81 0.00 0.00 157 S 8.96 4.90 0.00 3.66 3.71 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 0.00 158 P 0.00 4.54 0.00 1.66 1.09 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 159 S 7.69 4.32 0.00 3.76 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 0.00 160 E 8.69 4.11 0.00 1.98 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 2.33 2.27 0.00 161 A 8.29 4.79 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 0.00 162 F 8.56 6.02 0.00 2.89 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 P 0.00 4.51 0.00 2.15 2.16 0.00 4.25 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 164 S 8.59 4.40 0.00 3.79 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 0.00 165 G 8.23 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 0.00 0.00 0.00 0.00 166 P 0.00 4.96 0.00 2.10 2.08 0.00 3.77 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 2.00 1.98 0.00 167 A 8.48 4.13 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 0.00 168 T 9.68 4.43 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 1.24 0.00 0.00 169 S 7.62 4.84 0.00 3.72 3.63 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 0.00 170 Y 7.93 5.33 0.00 3.06 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 0.00 171 V 9.04 4.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.92 0.00 0.00 172 A 8.79 5.26 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 0.00 173 G 9.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 9.20 4.67 0.00 1.64 1.68 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.45 7.81 175 D 8.37 4.93 0.00 2.58 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 0.00 176 T 7.73 4.99 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 1.20 0.00 0.00 177 L 8.55 3.91 0.00 1.68 1.59 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.44 4.64 0.00 1.65 1.55 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 179 V 8.12 4.45 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 0.89 0.00 0.00 0.92 0.00 0.00 180 G 8.73 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 0.00 181 E 8.67 3.87 0.00 1.94 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 2.30 2.31 0.00 182 D 8.13 4.53 0.00 2.85 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 0.00 183 G 8.32 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 0.00 184 Q 8.38 4.58 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 185 S 8.29 4.91 0.00 3.89 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 0.00 186 H 8.17 5.56 0.00 3.30 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 I 8.98 5.37 1.99 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 1.19 1.37 0.75 0.00 0.00 188 T 9.29 4.84 4.44 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 1.31 0.00 0.00 189 T 8.38 4.16 4.17 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 0.80 0.00 0.00 190 G 8.49 3.79 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 0.00 0.00 0.00 191 N 8.19 4.69 0.00 2.97 2.97 0.00 0.00 6.90 7.22 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 *193 A 8.20 4.26 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 0.00 194 L 8.11 4.03 0.00 2.13 2.03 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 195 A 7.86 3.53 0.51 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 0.00 196 I 7.53 3.58 1.98 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 1.61 0.50 0.89 0.00 0.00 197 L 8.11 4.02 0.00 1.82 1.75 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 198 D 8.46 4.41 0.00 3.00 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 0.00 199 Q 8.05 4.14 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 200 L 7.86 3.99 0.00 1.81 1.68 0.90 0.76 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 0.00 201 E 8.21 4.41 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 202 H 8.25 4.83 0.00 3.15 3.20 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 P 0.00 4.83 0.00 2.02 1.99 0.00 3.66 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 204 T 9.13 4.44 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 1.27 0.00 0.00 205 A 7.83 4.71 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 0.00 206 I 7.74 3.85 1.74 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 1.33 0.51 0.70 0.00 0.00 207 R 8.23 2.00 0.00 1.51 1.58 0.00 2.91 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.89 0.00 208 D 7.34 4.90 0.00 2.57 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 0.00 209 R 8.79 5.46 0.00 2.22 1.95 0.00 3.49 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 1.72 1.47 0.00 210 I 8.81 5.02 1.99 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 1.31 1.15 0.97 0.00 0.00 211 V 8.22 4.98 2.03 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 0.96 0.00 0.00 0.88 0.00 0.00 212 V 8.33 5.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.73 0.00 0.00 213 R 8.88 5.01 0.00 1.90 1.96 0.00 2.74 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 214 D 9.03 4.99 0.00 2.60 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 0.00 215 A 8.97 4.39 1.23 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 0.00 0.00 216 D 8.39 4.54 0.00 2.67 2.40 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 * Residues marked with a * may have inaccurate shift predictions.