NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 63 D 4.6134 8.3649 120.5296 54.5263 41.8937 173.6908 64 E 4.5711 7.7093 115.6090 53.7411 33.3623 175.0719 65 I 4.0816 8.9001 120.0992 61.1374 39.5797 176.1273 66 K 4.2146 7.5941 119.6554 56.4021 30.5353 175.5128 67 I 4.2128 7.9501 123.7837 61.0151 38.8299 175.0887 68 V 4.4978 8.3229 121.1513 59.7333 34.5247 174.9550 69 K 4.2153 7.6762 119.4567 55.6297 35.7898 177.8175 70 Y 3.3331 8.2835 119.0335 59.3936 40.3954 174.7636 71 P 3.5589 0.0000 0.0000 62.2493 32.2670 176.3410 72 D 3.9897 7.3191 119.6868 54.2065 41.1566 175.1437 73 P 4.4887 0.0000 0.0000 63.4952 31.7756 177.7866 74 I 3.8160 7.8278 119.4136 63.2695 38.0798 177.0353 75 L 4.3641 7.6094 117.6197 55.7802 41.4234 177.3473 76 R 4.5489 7.4917 116.8197 55.9782 32.2678 176.0935 77 R 4.2136 7.3277 117.0027 55.8434 30.9745 176.4191 78 R 4.1721 8.3734 122.9767 55.6246 30.4942 176.3819 79 S 4.4872 8.3273 122.9458 58.5718 63.8445 173.8650 80 E 4.6653 8.6111 121.6487 54.4102 32.0976 175.8435 81 V 4.0863 8.1837 121.6168 63.4960 32.3536 175.7396 82 T 4.1876 8.7234 123.8110 63.2514 69.3880 173.5683 83 N 4.4738 8.2195 121.0882 54.8190 40.5039 175.8198 84 F 4.6977 7.0082 120.7726 57.1047 37.7335 174.2297 85 D 4.8454 8.3964 126.3922 53.6427 40.1432 175.4760 86 D 4.6702 7.6795 114.8025 53.3820 44.2069 174.2310 87 N 4.4951 8.9448 119.6820 54.2826 36.4741 174.7915 88 L 4.8250 7.2686 113.1195 53.0006 42.7793 177.7847 89 K 4.3336 7.8567 117.7453 57.7183 32.9289 178.8831 90 R 3.9869 7.8782 118.6206 58.7190 29.7620 178.6756 91 V 3.5676 7.7376 117.2554 66.2436 31.6654 177.9819 92 V 3.6504 7.6815 115.5787 65.4973 31.6845 177.5284 93 R 4.2759 8.1376 119.0162 59.1431 29.9639 178.5741 94 K 3.6478 8.3784 115.3315 57.7475 31.9974 178.4127 *96 F 4.3077 7.8714 118.9469 57.6775 40.9930 176.1313 97 D 4.7675 8.1639 120.0891 57.8087 40.3659 180.8177 98 I 4.0061 7.6557 118.2281 61.8599 36.5465 177.9401 *100 Y 5.0713 8.1230 119.6553 58.2712 39.4962 177.5670 101 E 4.1786 8.4010 115.8909 58.8639 29.9580 177.7234 102 S 4.3875 7.8726 113.2916 57.9959 63.2552 174.4283 103 K 4.0550 7.7748 115.8200 57.5153 30.9474 173.9284 104 G 4.0948 7.6698 111.9263 44.5050 0.0000 170.3737 105 I 3.2065 7.8532 121.0830 62.7953 38.2546 175.5264 106 G 4.6727 7.2258 104.6443 44.7462 0.0000 171.7492 107 L 4.4786 8.8693 119.1595 54.0889 46.2288 173.9158 108 S 5.0874 8.4268 120.3633 56.3963 65.8626 174.8466 109 A 3.9295 9.0338 124.6202 55.0541 18.4916 178.4228 110 P 4.4745 0.0000 0.0000 65.0828 31.5865 178.0635 111 Q 4.2070 7.9979 115.1134 57.3142 28.0511 177.2829 112 V 4.9590 7.7913 111.9720 60.0379 32.4268 175.5242 113 N 4.0800 8.1809 115.4872 54.6499 37.2461 173.6243 114 I 4.3297 7.4733 117.1327 59.1078 39.3404 176.2662 115 S 4.5580 8.3885 125.1911 58.0773 60.6025 172.6774 116 K 4.7831 7.5425 120.5730 53.8898 35.6861 177.1256 117 R 4.3980 8.0165 124.1711 56.0661 28.3052 176.1892 118 I 4.9801 7.4339 120.2022 59.5146 41.2704 176.4510 119 I 4.9263 8.7141 126.8785 59.6509 40.7039 175.0271 120 V 5.0877 9.2145 119.3162 59.8718 36.4810 174.4499 121 W 5.3500 8.7852 118.8412 56.8535 32.0345 172.7269 122 N 5.0039 9.0408 114.7727 53.3573 40.1666 174.5174 123 A 4.3003 9.5566 130.7120 54.2186 18.7986 177.3750 124 L 4.7585 8.2483 116.5735 53.0955 41.1002 175.2831 125 Y 4.7619 8.3451 119.3539 57.1679 39.5793 177.8571 126 E 3.8198 7.7035 119.3736 58.1862 29.6995 176.6450 127 K 4.3449 7.5210 116.4111 53.7954 33.4973 175.5586 128 R 3.9510 8.1139 123.6445 56.2334 30.7871 176.2850 129 K 4.4016 8.0246 121.3730 55.0099 36.2132 175.3191 130 E 3.8670 8.7013 122.0968 57.3175 30.0037 175.5771 131 E 3.7530 8.5896 118.7206 57.3486 28.1659 174.3856 132 N 4.9257 7.7482 111.2344 52.4116 40.2199 173.3546 133 E 4.6697 7.8223 116.2799 56.0028 31.2192 175.4945 134 R 4.2950 9.0452 122.9723 54.3337 32.4680 175.0943 135 I 4.6390 7.6958 124.0189 59.3657 40.3754 175.1226 136 F 4.6116 9.3577 125.0969 55.9118 42.4083 173.7673 137 I 4.6882 8.7411 125.1582 60.4580 38.9388 176.0938 138 N 4.3205 8.6609 123.1099 53.9119 36.4856 171.7801 139 P 5.3906 0.0000 0.0000 62.6079 33.6034 176.6068 140 S 4.8323 8.4920 111.8708 57.4927 65.8326 173.1010 141 I 4.2232 8.1695 127.0594 60.1633 37.3106 175.7714 142 V 4.0533 8.4221 121.5175 63.2595 32.5803 176.3923 143 E 4.9149 7.6415 117.0634 55.5875 33.6828 174.5098 144 Q 5.0375 8.3222 118.3695 54.2826 32.1103 174.7085 145 S 4.3618 8.8198 116.0415 58.7097 63.6548 173.8298 146 L 4.3543 8.3099 118.8547 56.1687 42.8388 178.0115 147 V 3.7612 7.2293 117.1252 62.9943 32.1904 175.6208 148 K 5.1172 8.6479 126.2190 54.7016 35.6419 175.3735 149 L 4.7005 8.6844 120.6961 53.2209 46.1985 176.0801 150 K 4.7337 8.7939 123.3649 55.6473 32.4655 175.9325 151 L 4.8805 8.0956 124.3207 52.3349 45.1128 176.7519 152 I 4.1431 8.3317 122.9304 62.0558 38.0154 175.1492 153 E 4.7141 8.7198 121.8534 55.2072 34.4229 174.2226 154 G 4.3455 8.1770 107.9541 44.9265 0.0000 171.2540 155 C 4.6281 7.9217 117.6529 57.7549 34.3542 174.6502 156 L 4.1577 8.4838 125.2861 56.9111 41.7818 177.8131 157 S 4.7455 7.8643 114.4448 57.6094 63.1321 173.7325 158 F 4.9490 7.8648 119.6390 56.9296 41.5713 176.2237 159 G 3.9806 8.9356 116.7486 45.5281 0.0000 172.2370 160 I 4.7600 7.7176 118.9412 59.2524 40.6479 174.5729 161 E 4.9719 8.0642 118.5929 54.6293 32.2319 174.5454 162 G 4.2413 7.9589 111.3676 44.8404 0.0000 171.8618 163 K 4.7903 8.7530 120.4893 55.8545 32.2542 177.2697 164 V 4.4222 8.2500 122.9725 61.1088 35.4307 173.2514 165 E 5.0478 8.7934 128.0691 54.9984 30.6326 174.9989 166 R 4.8346 8.4068 124.9640 53.4888 34.9971 173.4027 167 P 4.6949 0.0000 0.0000 62.7870 31.5364 177.0053 168 S 4.2642 8.8996 115.7213 60.6390 62.7408 174.1705 169 I 5.0031 7.4848 119.3609 59.4703 41.0886 175.1169 170 V 4.7086 8.5713 118.1000 59.5744 36.0735 174.5723 171 S 4.7630 9.2320 120.6530 57.9306 63.3593 173.0116 172 I 4.8887 8.9896 128.5488 59.7259 40.4518 175.0759 173 S 5.1484 8.5185 119.0655 57.3697 66.4131 172.7089 174 Y 5.4204 8.5296 121.4502 56.1537 42.2194 172.8468 175 Y 5.1869 9.4895 116.7329 56.3847 41.5629 176.9853 176 D 5.1000 8.9294 122.6678 52.7135 41.7518 176.5198 177 I 3.7866 8.3647 117.6363 63.9431 38.1212 176.9723 178 N 4.4984 8.3019 115.2840 52.7871 38.6107 175.4067 179 G 3.8531 7.9526 105.9762 45.5727 0.0000 172.9035 180 Y 4.8358 8.8211 118.7622 56.6311 39.1709 175.3197 181 K 3.9836 8.8517 125.5301 56.8442 33.4131 175.5274 182 H 4.8024 8.8367 122.0877 53.9162 33.2711 172.1546 183 L 5.0214 8.2465 120.3308 53.0845 44.3383 175.8263 184 K 4.5921 8.6483 122.0028 55.4486 36.3629 174.3344 185 I 4.7187 8.4113 127.4039 59.8454 38.6979 174.7682 186 L 4.7923 8.5517 128.4072 53.0725 43.6510 176.1897 187 K 4.8168 8.2369 121.6105 55.1373 36.6334 176.8844 188 G 3.9055 8.2403 104.7616 46.4995 0.0000 176.7369 189 I 3.6635 8.2497 120.1130 63.9202 38.3879 177.8217 190 H 4.3420 7.8892 117.1417 58.3936 28.1185 177.3488 191 S 4.1088 7.8072 114.9107 60.4098 62.0195 176.1951 192 R 3.7171 7.4752 121.6333 59.5695 29.8747 178.3603 193 I 3.3822 7.1910 119.0381 63.9698 36.9938 177.8488 194 F 3.5105 6.9627 121.4398 61.4804 39.0135 177.3390 195 Q 4.2210 7.6885 117.0941 58.9942 28.2019 178.3037 196 H 4.0850 7.5840 118.4623 59.4823 30.1302 177.0235 197 E 4.1454 8.3247 120.6309 59.1594 29.3508 179.0228 198 F 3.9590 8.5197 121.1834 61.3696 39.2909 176.9155 199 D 4.2959 7.9264 118.6354 57.6451 40.4365 178.4577 200 H 4.0859 7.7823 116.7393 58.6938 28.7226 177.4697 201 L 4.0888 7.6667 119.4587 56.2285 41.1779 177.8201 202 N 4.7986 7.9094 114.8237 52.3386 39.5805 175.3722 203 G 4.0130 7.7007 108.9888 46.5620 0.0000 174.1142 204 T 4.1359 7.4732 116.7297 63.0393 69.4055 173.9674 205 L 4.7962 8.7388 126.3292 52.6914 43.8780 177.5699 206 F 4.3874 8.7606 115.5828 58.5554 38.2679 177.4205 207 I 3.1975 7.1332 114.4826 63.2917 37.6164 176.8819 208 D 4.3781 7.8901 120.1321 55.8585 41.4042 176.7928 209 K 4.4008 7.0522 117.5423 55.3269 31.8155 176.5960 *211 T 4.0821 7.2562 115.9201 63.1345 71.3685 174.7109 212 Q 3.9169 8.4389 124.2398 59.3570 29.1672 179.1232 213 V 3.5682 7.6407 118.8590 66.0186 31.7707 177.6357 214 D 4.3111 7.8034 118.1818 57.0680 40.6504 178.5026 215 K 3.8286 8.1051 119.6160 59.0274 32.3822 178.5517 216 K 4.0533 7.7358 120.3487 59.2118 31.9972 178.7518 217 K 4.0918 7.8174 118.4330 58.1726 32.3478 177.9921 218 V 4.2026 7.4141 117.4874 61.3405 31.8902 177.2718 219 R 3.8071 7.6460 120.7994 59.5864 29.9068 176.0898 220 P 4.2606 0.0000 0.0000 65.8690 31.3082 178.6418 221 K 4.0640 8.0474 116.4476 59.4144 32.0039 179.2857 222 L 4.1176 7.7337 118.9501 57.8847 41.5951 179.2679 223 N 4.4231 8.4059 116.4731 56.2784 38.5084 176.9722 224 E 4.0088 8.7982 120.3632 59.9025 29.6566 179.7809 225 L 4.1650 8.2697 118.4900 57.5561 41.5442 179.7560 226 I 3.6540 7.9476 119.9894 64.3709 37.0101 178.4203 227 R 3.9417 8.0389 118.7822 59.5190 29.7432 178.4753 228 D 4.4183 7.8845 117.0271 57.9609 41.1638 178.4454 229 Y 4.1047 8.0465 119.5181 60.5989 38.6277 178.0448 230 K 4.0252 8.5650 119.1376 58.4641 31.7674 177.7548 231 A 4.3398 7.3254 120.1528 52.8327 18.9122 178.4854 232 T 3.8721 7.5552 120.1507 66.6491 68.9059 175.1236 233 H 5.0558 7.4049 117.4108 53.9566 31.3662 174.2263 234 S 4.2259 8.4002 117.7079 58.8718 63.7280 173.9662 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 63 D 8.36 4.61 0.00 2.69 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 64 E 7.71 4.57 0.00 2.08 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 0.00 2.22 2.30 0.00 65 I 8.90 4.08 1.88 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 1.42 0.68 0.91 0.00 0.00 66 K 7.59 4.21 0.00 1.82 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.36 7.81 67 I 7.95 4.21 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.91 0.00 0.00 68 V 8.32 4.50 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 0.71 0.00 0.00 0.96 0.00 0.00 69 K 7.68 4.22 0.00 1.70 1.62 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 70 Y 8.28 3.33 0.00 1.86 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 71 P 0.00 3.56 0.00 1.05 1.22 0.00 3.40 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.30 0.00 72 D 7.32 3.99 0.00 2.74 2.44 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 73 P 0.00 4.49 0.00 2.19 2.00 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 74 I 7.83 3.82 1.97 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 1.28 1.20 0.92 0.00 0.00 75 L 7.61 4.36 0.00 1.83 1.71 0.90 0.84 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 76 R 7.49 4.55 0.00 1.91 1.90 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 77 R 7.33 4.21 0.00 1.62 1.83 0.00 3.14 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 78 R 8.37 4.17 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 79 S 8.33 4.49 0.00 3.92 3.65 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 0.00 0.00 0.00 80 E 8.61 4.67 0.00 1.88 1.79 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 2.21 2.20 0.00 81 V 8.18 4.09 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 0.82 0.00 0.00 0.90 0.00 0.00 82 T 8.72 4.19 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 83 N 8.22 4.47 0.00 1.65 2.37 0.00 0.00 7.04 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.01 4.70 0.00 3.05 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 85 D 8.40 4.85 0.00 2.58 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 86 D 7.68 4.67 0.00 2.73 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.94 4.50 0.00 2.91 2.89 0.00 0.00 6.73 7.85 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 88 L 7.27 4.83 0.00 1.67 1.60 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.86 4.33 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.53 7.81 90 R 7.88 3.99 0.00 1.87 2.00 0.00 3.15 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 91 V 7.74 3.57 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 0.82 0.00 0.00 0.94 0.00 0.00 92 V 7.68 3.65 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 0.93 0.00 0.00 0.92 0.00 0.00 93 R 8.14 4.28 0.00 2.21 1.99 0.00 3.36 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 94 K 8.38 3.65 0.00 1.97 1.81 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.65 7.81 *96 F 7.87 4.31 0.00 3.22 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 97 D 8.16 4.77 0.00 2.95 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 98 I 7.66 4.01 1.83 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 1.22 0.95 0.00 0.00 *100 Y 8.12 5.07 0.00 3.28 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 0.00 101 E 8.40 4.18 0.00 2.15 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 2.36 2.33 0.00 102 S 7.87 4.39 0.00 3.93 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 0.00 103 K 7.77 4.05 0.00 2.13 2.02 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 104 G 7.67 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 0.00 105 I 7.85 3.21 1.38 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 1.23 1.41 0.67 0.00 0.00 106 G 7.23 4.67 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 0.00 0.00 0.00 107 L 8.87 4.48 0.00 1.59 1.27 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.43 5.09 0.00 3.86 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 0.00 109 A 9.03 3.93 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 0.00 110 P 0.00 4.47 0.00 2.14 2.10 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 111 Q 8.00 4.21 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.86 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 112 V 7.79 4.96 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 1.11 0.00 0.00 0.93 0.00 0.00 113 N 8.18 4.08 0.00 2.86 2.90 0.00 0.00 6.85 7.27 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 0.00 114 I 7.47 4.33 1.84 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 1.37 1.21 0.89 0.00 0.00 115 S 8.39 4.56 0.00 3.88 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 0.00 116 K 7.54 4.78 0.00 1.71 1.60 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.44 7.81 117 R 8.02 4.40 0.00 2.06 1.93 0.00 3.15 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 118 I 7.43 4.98 1.84 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 1.36 0.68 0.88 0.00 0.00 119 I 8.71 4.93 2.12 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 1.17 0.75 1.11 0.00 0.00 120 V 9.21 5.09 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 0.49 0.00 0.00 0.04 0.00 0.00 121 W 8.79 5.35 0.00 3.55 3.30 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 0.00 122 N 9.04 5.00 0.00 2.99 3.05 0.00 0.00 7.18 7.64 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 0.00 123 A 9.56 4.30 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.25 4.76 0.00 2.00 1.67 1.03 0.67 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 0.00 125 Y 8.35 4.76 0.00 3.26 3.29 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 0.00 126 E 7.70 3.82 0.00 1.81 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 1.86 1.72 0.00 127 K 7.52 4.34 0.00 1.65 1.68 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.33 7.81 128 R 8.11 3.95 0.00 1.44 1.57 0.00 3.20 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 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0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.98 0.00 0.00 138 N 8.66 4.32 0.00 3.10 3.06 0.00 0.00 7.03 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 0.00 139 P 0.00 5.39 0.00 2.59 2.49 0.00 3.64 0.00 0.00 4.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.03 0.00 140 S 8.49 4.83 0.00 4.07 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.17 4.22 1.73 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 1.04 -0.08 0.82 0.00 0.00 142 V 8.42 4.05 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 0.64 0.00 0.00 0.92 0.00 0.00 143 E 7.64 4.91 0.00 1.80 1.75 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 2.24 2.18 0.00 144 Q 8.32 5.04 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 145 S 8.82 4.36 0.00 3.87 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.15 2.26 0.00 154 G 8.18 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 C 7.92 4.63 0.00 2.18 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.48 4.16 0.00 1.60 1.67 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 157 S 7.86 4.75 0.00 3.78 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 0.00 158 F 7.86 4.95 0.00 2.96 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 G 8.94 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 0.00 160 I 7.72 4.76 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.89 0.00 0.00 161 E 8.06 4.97 0.00 2.26 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 2.21 2.34 0.00 162 G 7.96 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 0.00 0.00 0.00 0.00 163 K 8.75 4.79 0.00 1.64 1.74 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.22 7.81 164 V 8.25 4.42 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 0.98 0.00 0.00 0.98 0.00 0.00 165 E 8.79 5.05 0.00 1.99 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 0.00 2.20 2.38 0.00 166 R 8.41 4.83 0.00 1.71 1.90 0.00 3.46 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 167 P 0.00 4.69 0.00 2.02 2.15 0.00 3.93 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 168 S 8.90 4.26 0.00 3.85 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 0.00 169 I 7.48 5.00 1.85 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 1.33 0.68 0.88 0.00 0.00 170 V 8.57 4.71 1.85 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 0.69 0.00 0.00 0.78 0.00 0.00 171 S 9.23 4.76 0.00 3.81 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 0.00 172 I 8.99 4.89 1.92 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.70 0.00 0.00 173 S 8.52 5.15 0.00 3.74 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 0.00 174 Y 8.53 5.42 0.00 3.52 3.33 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 0.00 175 Y 9.49 5.19 0.00 3.05 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 0.00 176 D 8.93 5.10 0.00 2.92 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 0.00 177 I 8.36 3.79 1.89 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 1.43 0.83 0.92 0.00 0.00 178 N 8.30 4.50 0.00 2.15 2.47 0.00 0.00 7.07 7.65 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 0.00 179 G 7.95 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 0.00 180 Y 8.82 4.84 0.00 3.28 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 0.00 181 K 8.85 3.98 0.00 1.44 1.52 0.00 1.39 0.00 0.00 1.40 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 0.97 7.81 182 H 8.84 4.80 0.00 1.71 2.78 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.25 5.02 0.00 1.42 1.52 0.84 0.76 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 0.00 184 K 8.65 4.59 0.00 2.05 1.72 0.00 2.00 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.52 7.81 185 I 8.41 4.72 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.90 0.00 0.00 186 L 8.55 4.79 0.00 1.45 1.55 0.63 0.77 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 0.00 187 K 8.24 4.82 0.00 1.77 1.88 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.43 7.81 188 G 8.24 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 0.00 189 I 8.25 3.66 1.85 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 1.31 1.28 0.83 0.00 0.00 190 H 7.89 4.34 0.00 3.67 3.73 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 7.81 4.11 0.00 3.97 4.05 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 0.00 192 R 7.48 3.72 0.00 1.85 1.87 0.00 3.16 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 193 I 7.19 3.38 0.84 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.09 0.26 0.00 0.00 194 F 6.96 3.51 0.00 2.89 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 0.00 195 Q 7.69 4.22 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 196 H 7.58 4.08 0.00 2.96 3.34 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.32 4.15 0.00 1.86 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 2.45 2.45 0.00 198 F 8.52 3.96 0.00 2.53 2.99 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 0.00 199 D 7.93 4.30 0.00 2.82 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 0.00 200 H 7.78 4.09 0.00 3.30 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 7.67 4.09 0.00 1.44 1.48 0.87 0.43 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 0.00 202 N 7.91 4.80 0.00 2.55 2.68 0.00 0.00 7.10 8.44 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 0.00 203 G 7.70 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 0.00 204 T 7.47 4.14 4.32 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 1.19 0.00 0.00 205 L 8.74 4.80 0.00 2.00 1.68 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 206 F 8.76 4.39 0.00 3.14 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 0.00 207 I 7.13 3.20 1.47 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.43 -0.01 0.00 0.00 208 D 7.89 4.38 0.00 2.67 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 0.00 209 K 7.05 4.40 0.00 1.72 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 *211 T 7.26 4.08 4.18 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 1.20 0.00 0.00 212 Q 8.44 3.92 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 213 V 7.64 3.57 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 0.99 0.00 0.00 0.91 0.00 0.00 214 D 7.80 4.31 0.00 2.77 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 0.00 215 K 8.11 3.83 0.00 1.79 1.75 0.00 1.69 0.00 0.00 1.41 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.46 7.81 216 K 7.74 4.05 0.00 1.84 2.02 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.46 7.81 217 K 7.82 4.09 0.00 1.90 2.00 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 218 V 7.41 4.20 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 0.65 0.00 0.00 0.88 0.00 0.00 219 R 7.65 3.81 0.00 2.04 2.09 0.00 3.12 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 220 P 0.00 4.26 0.00 2.20 2.12 0.00 3.65 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 2.12 2.20 0.00 221 K 8.05 4.06 0.00 1.90 1.91 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.49 7.81 222 L 7.73 4.12 0.00 1.90 1.79 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 223 N 8.41 4.42 0.00 2.90 2.91 0.00 0.00 7.04 7.23 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 0.00 224 E 8.80 4.01 0.00 2.20 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 2.41 0.00 225 L 8.27 4.17 0.00 2.20 1.93 1.06 0.88 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 0.00 226 I 7.95 3.65 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.92 0.00 0.00 227 R 8.04 3.94 0.00 1.90 2.01 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.00 0.00 228 D 7.88 4.42 0.00 2.92 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 0.00 229 Y 8.05 4.10 0.00 2.96 3.13 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 0.00 230 K 8.57 4.03 0.00 1.93 1.86 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.80 1.66 7.81 231 A 7.33 4.34 1.22 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 0.00 232 T 7.56 3.87 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 0.52 0.00 0.00 233 H 7.40 5.06 0.00 3.03 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 S 8.40 4.23 0.00 3.78 3.67 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 * Residues marked with a * may have inaccurate shift predictions.