NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 63 D 4.6234 8.3649 120.5315 53.8372 42.6780 175.0197 64 E 4.1722 8.0182 118.8293 55.0707 30.3688 174.3317 65 I 4.1542 8.9833 122.6168 60.9326 39.0734 175.8908 66 K 4.2738 7.6290 120.0430 54.8439 30.9220 175.4740 67 I 4.3881 7.9727 124.1202 60.8506 38.7522 175.1483 68 V 4.5458 8.5162 121.3312 59.6958 34.6482 174.8519 69 K 4.2168 8.0099 120.8387 54.7738 35.3700 176.4537 70 Y 3.7456 7.8296 120.3693 61.0479 38.9689 175.4576 71 P 3.6193 0.0000 0.0000 62.5067 32.1927 176.3296 72 D 3.9731 7.4082 120.0679 53.9318 41.6454 175.3818 73 P 4.3440 0.0000 0.0000 64.4835 31.9814 178.1550 74 I 3.7756 7.4354 118.6177 63.2561 37.9650 177.1603 75 L 4.1481 7.8452 121.1144 56.7102 41.9989 177.7055 76 R 4.5774 7.4429 114.9857 56.3575 30.9623 176.3700 77 R 4.2842 7.5298 117.3990 55.6658 31.3818 176.0190 78 R 4.4534 8.2521 121.8670 55.0947 30.7214 176.3374 79 S 4.4718 8.5026 123.3798 58.9184 63.7384 174.1931 80 E 4.3893 9.1970 123.0009 55.3673 31.3327 176.0773 81 V 4.1649 8.1858 122.6177 62.9223 32.0857 176.0928 82 T 3.7793 8.4903 125.7953 64.1936 68.3403 172.8360 83 N 4.2495 7.7688 122.8793 54.6305 40.2581 175.6073 84 F 4.6156 6.6487 126.4560 57.2747 38.4383 175.7385 85 D 4.7426 8.3255 130.4685 53.4874 40.8835 176.2596 86 D 4.6286 7.8398 115.7601 54.0706 44.4646 173.4073 87 N 4.3221 8.8090 118.6742 54.3604 36.2312 174.5563 88 L 4.8733 7.4479 112.6257 53.6823 43.5992 179.0211 89 K 4.1066 8.3142 120.3990 58.6524 31.9897 178.8851 90 R 3.9270 7.9596 116.7392 59.1529 29.2351 178.4380 91 V 3.8715 7.0744 117.7141 66.1149 31.5061 177.9500 92 V 3.6754 7.7166 115.6159 65.8203 31.7088 177.5395 93 R 4.3515 8.2319 118.7413 59.1354 30.1295 179.8285 94 K 4.2356 8.9165 118.8485 56.5228 31.8981 179.0650 *96 F 4.5834 8.0118 119.1069 57.8196 40.9107 176.2162 97 D 4.8679 8.9804 120.8563 57.6659 41.1506 180.1039 98 I 3.8959 7.4885 112.9740 61.0023 37.3130 177.5793 *100 Y 4.8797 8.0020 119.7314 59.5107 39.7488 177.7507 101 E 4.2241 8.0521 116.9639 58.5721 29.7545 177.7016 102 S 4.5719 7.9561 113.5443 57.4285 63.0576 173.8558 103 K 4.1436 7.9864 119.9673 57.9700 30.6238 175.0750 104 G 4.0291 7.8312 104.2270 43.5017 0.0000 172.6428 105 I 3.4928 7.7208 120.0148 62.0381 39.3536 175.5323 106 G 4.4690 7.5042 106.1806 43.5412 0.0000 171.9269 107 L 4.6629 8.7359 122.3287 53.6455 45.9952 174.5830 108 S 5.1740 8.4373 119.7248 56.2652 66.0266 174.9527 109 A 3.9499 8.4982 123.4649 54.7546 18.6362 178.4724 110 P 4.3188 0.0000 0.0000 65.5694 31.6788 178.4627 111 Q 4.0432 7.8756 117.1281 57.8309 28.7711 177.7620 112 V 5.0430 7.3799 108.9411 60.2067 31.9435 174.8250 113 N 4.2266 7.9166 115.8763 54.8192 37.3127 173.9807 114 I 4.3661 7.8954 117.7514 59.0870 39.3348 176.5954 115 S 4.5310 8.4300 125.0014 58.5809 61.0781 173.1726 116 K 4.9438 7.6617 117.7620 54.0628 35.4805 178.8767 117 R 4.4060 8.2711 122.5282 55.9925 27.9335 175.5889 118 I 4.9560 7.5142 120.9585 59.4518 41.7290 175.8740 119 I 5.1358 8.3744 124.8468 59.8660 41.3821 174.7994 120 V 5.1706 8.9756 119.4405 59.7108 36.1311 174.4055 121 W 5.6571 8.8158 119.3206 55.7731 32.0729 173.0923 122 N 5.3898 9.0052 118.7205 52.1840 40.7953 173.8494 123 A 4.6137 9.2570 128.2802 52.8484 18.8286 177.9063 124 L 4.8074 8.8784 117.8067 53.8776 43.1210 175.2316 125 Y 4.8728 8.3060 117.0369 56.7453 39.2221 177.4794 126 E 3.9684 7.5944 119.5121 58.1336 29.8788 177.1707 127 K 4.4357 7.4593 116.9617 53.7891 33.1092 174.4073 128 R 4.0103 8.1415 120.7946 55.9750 30.6275 176.7038 129 K 4.5397 8.3411 121.3068 54.3201 35.8897 176.0009 130 E 3.9879 8.6248 122.8812 57.4216 29.9586 176.8640 131 E 3.7403 8.6696 118.6613 57.0966 27.3412 174.5790 132 N 4.8093 7.5981 116.3900 53.5999 40.4265 174.8179 133 E 4.4211 7.9457 116.8569 56.7031 30.5039 176.3424 134 R 4.5443 9.0763 121.7104 54.3794 33.4342 174.9105 135 I 5.0322 7.7648 122.3480 59.6630 40.5778 175.3251 136 F 4.5467 9.2684 124.3576 56.0270 42.2569 173.5844 137 I 4.2274 9.3925 125.7690 60.6495 38.7776 175.9558 138 N 4.5598 8.3346 122.1062 54.0447 36.3476 171.4419 139 P 5.4634 0.0000 0.0000 62.1010 33.9510 176.8270 140 S 4.6778 8.4420 113.1521 57.7597 66.0125 172.8264 141 I 4.3881 8.1999 124.2401 59.9310 37.9672 175.9216 142 V 4.0994 8.7024 121.5851 63.2841 32.5306 176.4192 143 E 4.9356 7.7770 117.5221 55.2794 33.9098 174.2464 144 Q 4.7241 8.3500 118.6850 54.2802 32.0277 174.6242 145 S 4.2515 8.9992 115.7590 58.5627 62.8092 173.9574 146 L 4.1686 8.4567 125.2591 57.4193 42.5727 177.6825 147 V 3.7613 7.5333 119.5376 63.1138 32.4056 175.4469 148 K 5.1982 8.3709 125.8468 54.8774 36.1017 174.9673 149 L 4.3212 8.5852 120.9677 54.3905 45.9744 174.1309 150 K 4.5891 8.8126 126.5184 55.5438 32.3614 175.7595 151 L 4.8587 8.1238 124.7436 52.4322 45.2175 176.1801 152 I 4.3859 8.2541 122.1122 61.6855 38.1508 175.0532 153 E 4.8172 9.6126 124.9028 55.0424 34.2417 174.6114 154 G 4.4541 8.0984 107.7953 45.2639 0.0000 172.0495 155 C 4.5097 7.9957 118.1841 57.4718 34.4121 174.6587 156 L 4.2806 8.4942 125.1658 56.6737 41.3985 177.4033 157 S 4.6921 7.8007 115.0322 57.8173 63.1387 173.5454 158 F 4.7260 7.7889 116.5791 57.0075 42.7032 175.7014 159 G 3.9976 9.0446 115.9327 45.8075 0.0000 172.7236 160 I 4.6796 7.8316 119.3353 59.1484 40.1154 174.6374 161 E 5.0037 8.0517 119.3700 55.5234 33.0243 173.8957 162 G 3.9340 8.3746 106.3681 46.0456 0.0000 172.1781 163 K 4.9781 9.0537 119.8371 55.5863 33.3474 177.6697 164 V 4.2339 8.1627 123.3515 61.2848 34.2819 174.1635 165 E 4.4749 8.8872 130.1900 56.1844 29.9818 175.8422 166 R 4.8220 8.7378 125.5977 53.4111 34.5774 173.5437 167 P 4.6872 0.0000 0.0000 63.0968 30.3494 176.7857 168 S 4.2284 9.0810 116.9161 60.7792 62.8634 174.1087 169 I 5.0378 7.4299 118.9088 59.6455 41.4716 175.0163 170 V 4.8479 8.0682 116.5778 60.0235 36.4104 174.4428 171 S 4.8626 9.6683 122.1738 58.1232 64.2668 173.4920 172 I 5.1894 8.8686 124.7111 59.7275 41.6733 174.4013 173 S 5.3020 8.5150 115.7294 57.9914 66.7560 173.3344 174 Y 5.0444 7.5102 117.3486 57.5679 41.7107 171.9951 175 Y 5.3386 9.0803 114.9261 56.5018 42.3554 175.1597 176 D 4.9078 8.4279 125.4455 53.6668 40.1514 177.3660 177 I 3.8671 8.3825 116.8106 62.3998 38.4183 176.4176 178 N 4.7700 7.6037 115.7849 52.9844 40.0805 175.4232 179 G 4.0369 8.3771 106.1833 45.2034 0.0000 172.5643 180 Y 4.8047 8.0049 118.2116 56.6763 39.1750 174.9177 181 K 4.3376 8.8871 126.4887 56.2355 32.9127 175.6056 182 H 4.9394 8.0385 123.3414 53.8719 32.6399 172.7018 183 L 5.1473 8.0925 118.3750 53.2421 45.1596 176.0514 184 K 4.6515 9.1001 122.3876 55.4787 36.4113 174.1839 185 I 4.8004 8.3094 125.4303 59.7557 38.7811 174.8928 186 L 4.7877 8.3168 127.3305 52.9511 43.7965 175.9614 187 K 4.4886 8.9182 122.3557 57.1781 35.1551 174.9005 188 G 4.1756 8.3475 112.0583 44.0414 0.0000 176.4113 189 I 3.6268 8.7938 124.3033 64.0339 37.7131 176.9335 190 H 4.0020 8.1154 116.8815 58.5857 28.6116 177.2768 191 S 4.1544 7.8500 114.1149 60.3531 62.2844 176.0863 192 R 3.7715 7.6556 121.5616 59.3607 29.9000 178.2050 193 I 3.2793 7.1414 119.4086 64.2124 36.9133 177.7427 194 F 3.6763 6.8595 120.7276 61.5876 38.8385 176.9042 195 Q 4.0956 7.6740 115.8234 60.2627 28.8460 178.1882 196 H 3.9294 8.2811 118.7687 58.7296 29.7395 176.4632 197 E 3.9467 8.9199 120.2879 59.8964 29.7704 179.6459 198 F 4.1581 8.7441 121.0964 61.2924 39.2889 176.9025 199 D 4.1530 8.2769 118.8785 57.5848 40.6705 178.3885 200 H 3.8333 7.6690 115.3637 58.8599 28.6917 177.6900 201 L 4.0110 7.7405 120.0903 56.8270 41.6429 177.9388 202 N 4.5071 7.6449 113.5995 52.2838 38.9861 174.8695 203 G 3.8351 7.6356 105.9286 46.6400 0.0000 173.6232 204 T 4.5512 8.4701 116.7097 61.2099 70.7988 174.2401 205 L 4.8173 8.8732 125.9829 52.6571 44.4233 177.7224 206 F 4.3727 8.8627 115.7972 59.0883 38.3143 177.6501 207 I 3.2303 7.3792 114.2444 63.3269 37.5294 176.9758 208 D 4.3843 7.8331 120.2650 56.0838 41.2643 176.6482 209 K 4.4256 7.3553 118.0524 55.0299 32.0473 175.9349 *211 T 4.0847 7.2366 116.7148 62.9504 71.6596 174.3859 212 Q 3.9461 8.4470 123.1664 59.5428 28.9134 179.2772 213 V 3.6204 7.5835 118.4179 66.3161 31.5778 177.7439 214 D 4.3197 7.8512 116.7648 57.0417 41.0263 178.2575 215 K 3.9206 8.5563 120.7059 59.0831 31.9903 178.8599 216 K 4.0448 7.6599 118.9116 58.9906 31.9878 178.3388 217 K 4.2013 7.8994 118.2497 57.7937 32.5099 177.1515 218 V 4.3345 7.1768 114.9568 60.9231 32.7759 177.0256 219 R 3.8314 7.9043 122.3571 59.9485 29.6358 175.6609 220 P 4.1988 0.0000 0.0000 66.3984 31.4354 178.5588 221 K 4.0115 7.9635 116.1890 59.4418 32.0217 179.4001 222 L 4.1108 7.8692 119.0988 57.9923 41.5419 179.3163 223 N 4.5114 8.4485 116.5356 56.0871 38.3869 177.2938 224 E 4.0021 8.4907 120.3948 59.6010 29.5267 179.4656 225 L 3.6656 8.0217 118.3723 57.4977 41.6519 179.6558 226 I 3.6932 7.6443 119.8659 64.2570 36.5081 178.5540 227 R 3.8771 8.4373 119.2162 59.5727 29.7543 178.9329 228 D 4.3797 8.5251 118.1742 57.4536 40.9656 178.0524 229 Y 4.1177 8.3769 120.6151 60.5400 38.8791 177.9868 230 K 3.9962 8.2190 118.8935 58.7205 31.8034 178.2138 231 A 4.6544 7.0400 119.2976 52.2522 18.0761 178.4821 232 T 3.7861 7.5992 117.7020 67.4077 68.5273 176.5729 233 H 4.9822 7.1773 115.6801 55.9506 29.4136 176.2517 234 S 4.6575 7.6498 114.9875 56.7882 62.1432 173.8571 235 E 4.1093 8.1625 126.7378 58.5655 30.3550 176.8620 236 E 4.1535 7.9770 119.6414 55.4522 29.5578 175.7923 237 P 4.3713 0.0000 0.0000 64.4935 31.7721 178.2060 238 L 4.0686 7.8780 116.9544 56.3140 41.8305 176.9566 239 E 4.6084 7.3206 118.9016 55.6294 29.6627 175.6483 240 H 4.6861 7.2656 114.0223 54.5893 30.5361 175.1763 241 H 4.5407 8.4286 117.9139 56.1835 29.4852 173.3357 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 4.62 0.00 2.68 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 64 E 8.02 4.17 0.00 2.17 1.95 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 2.29 2.36 0.00 65 I 8.98 4.15 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 0.68 0.92 0.00 0.00 66 K 7.63 4.27 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 2.85 0.00 0.00 0.00 0.00 1.49 1.36 7.81 67 I 7.97 4.39 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 1.31 0.58 0.90 0.00 0.00 68 V 8.52 4.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 69 K 8.01 4.22 0.00 1.65 1.64 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.35 7.81 70 Y 7.83 3.75 0.00 1.90 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 71 P 0.00 3.62 0.00 1.09 1.36 0.00 3.36 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.36 0.00 72 D 7.41 3.97 0.00 2.77 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 0.00 0.00 0.00 0.00 73 P 0.00 4.34 0.00 2.18 2.01 0.00 3.62 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 2.10 1.97 0.00 74 I 7.44 3.78 1.86 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 1.16 1.33 0.94 0.00 0.00 75 L 7.85 4.15 0.00 1.93 1.64 0.89 0.75 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 76 R 7.44 4.58 0.00 1.98 1.90 0.00 3.38 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 77 R 7.53 4.28 0.00 1.88 1.83 0.00 3.13 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 78 R 8.25 4.45 0.00 1.77 1.81 0.00 3.21 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 1.51 1.58 0.00 79 S 8.50 4.47 0.00 3.77 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 80 E 9.20 4.39 0.00 1.84 1.81 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 2.27 2.23 0.00 81 V 8.19 4.16 2.02 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 0.83 0.00 0.00 0.92 0.00 0.00 82 T 8.49 3.78 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 1.14 0.00 0.00 83 N 7.77 4.25 0.00 1.44 1.77 0.00 0.00 7.13 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 6.65 4.62 0.00 3.06 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 85 D 8.33 4.74 0.00 2.59 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 0.00 0.00 0.00 86 D 7.84 4.63 0.00 2.57 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 87 N 8.81 4.32 0.00 2.89 2.87 0.00 0.00 6.72 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 7.45 4.87 0.00 1.66 1.60 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.31 4.11 0.00 1.83 1.90 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 90 R 7.96 3.93 0.00 2.06 2.22 0.00 3.02 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 91 V 7.07 3.87 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 0.81 0.00 0.00 0.95 0.00 0.00 92 V 7.72 3.68 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 93 R 8.23 4.35 0.00 2.24 2.06 0.00 3.31 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 94 K 8.92 4.24 0.00 1.73 1.83 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.65 7.81 *96 F 8.01 4.58 0.00 3.31 3.22 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 97 D 8.98 4.87 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.49 3.90 1.86 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 1.44 0.85 0.92 0.00 0.00 *100 Y 8.00 4.88 0.00 3.18 3.12 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 0.00 101 E 8.05 4.22 0.00 2.04 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 2.42 2.36 0.00 102 S 7.96 4.57 0.00 3.94 3.88 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 0.00 103 K 7.99 4.14 0.00 2.00 1.96 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.48 7.81 104 G 7.83 4.03 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 0.00 0.00 0.00 105 I 7.72 3.49 1.51 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 1.18 1.47 0.70 0.00 0.00 106 G 7.50 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.66 0.00 1.61 1.27 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.44 5.17 0.00 3.96 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 0.00 109 A 8.50 3.95 1.43 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 1.64 1.71 0.00 118 I 7.51 4.96 1.86 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 1.37 1.16 0.92 0.00 0.00 119 I 8.37 5.14 2.17 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 1.15 0.00 0.00 120 V 8.98 5.17 1.24 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 0.60 0.00 0.00 0.20 0.00 0.00 121 W 8.82 5.66 0.00 3.56 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 9.01 5.39 0.00 2.94 2.96 0.00 0.00 7.13 7.55 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 0.00 123 A 9.26 4.61 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 8.88 4.81 0.00 1.66 1.63 1.06 0.79 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 0.00 125 Y 8.31 4.87 0.00 3.44 3.22 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 0.00 126 E 7.59 3.97 0.00 1.82 1.90 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 1.90 1.68 0.00 127 K 7.46 4.44 0.00 1.67 1.67 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.40 7.81 128 R 8.14 4.01 0.00 1.41 1.07 0.00 2.79 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.46 0.00 129 K 8.34 4.54 0.00 1.74 1.61 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.46 7.81 130 E 8.62 3.99 0.00 1.91 1.81 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 2.24 2.27 0.00 131 E 8.67 3.74 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 132 N 7.60 4.81 0.00 2.65 2.89 0.00 0.00 7.13 8.17 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 0.00 133 E 7.95 4.42 0.00 1.70 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 1.82 2.26 0.00 134 R 9.08 4.54 0.00 0.70 1.28 0.00 3.10 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 135 I 7.76 5.03 1.81 0.00 0.00 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 1.51 0.76 0.93 0.00 0.00 136 F 9.27 4.55 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 9.39 4.23 2.34 0.00 0.00 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 0.84 1.00 0.00 0.00 138 N 8.33 4.56 0.00 3.14 3.04 0.00 0.00 7.02 8.10 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 0.00 139 P 0.00 5.46 0.00 2.19 2.42 0.00 4.03 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 140 S 8.44 4.68 0.00 3.99 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 0.00 141 I 8.20 4.39 1.85 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 1.20 0.10 0.89 0.00 0.00 142 V 8.70 4.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 159 G 9.04 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 0.00 0.00 0.00 160 I 7.83 4.68 1.98 0.00 0.00 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 1.48 0.65 0.67 0.00 0.00 161 E 8.05 5.00 0.00 2.17 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 2.18 2.33 0.00 162 G 8.37 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 0.00 163 K 9.05 4.98 0.00 1.61 1.72 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.36 7.81 164 V 8.16 4.23 2.38 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 0.75 0.00 0.00 0.99 0.00 0.00 165 E 8.89 4.47 0.00 2.01 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 0.00 2.28 2.33 0.00 166 R 8.74 4.82 0.00 1.76 1.91 0.00 3.44 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 167 P 0.00 4.69 0.00 1.93 2.19 0.00 3.95 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 168 S 9.08 4.23 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.43 5.04 1.86 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 1.34 0.51 0.89 0.00 0.00 170 V 8.07 4.85 1.95 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 0.81 0.00 0.00 0.79 0.00 0.00 171 S 9.67 4.86 0.00 3.85 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 0.00 172 I 8.87 5.19 1.88 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 0.61 0.00 0.00 173 S 8.52 5.30 0.00 3.85 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 0.00 174 Y 7.51 5.04 0.00 3.38 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Y 9.08 5.34 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.43 4.91 0.00 2.91 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 0.00 177 I 8.38 3.87 1.89 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 1.44 0.71 0.92 0.00 0.00 178 N 7.60 4.77 0.00 2.43 2.52 0.00 0.00 7.18 7.53 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 0.00 179 G 8.38 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 0.00 0.00 0.00 180 Y 8.00 4.80 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 K 8.89 4.34 0.00 1.74 1.68 0.00 1.52 0.00 0.00 2.33 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 0.93 7.81 182 H 8.04 4.94 0.00 1.83 2.84 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.09 5.15 0.00 1.40 1.50 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 184 K 9.10 4.65 0.00 2.10 1.71 0.00 1.99 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 185 I 8.31 4.80 1.87 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 1.34 1.00 0.90 0.00 0.00 186 L 8.32 4.79 0.00 1.45 1.52 0.42 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 0.00 187 K 8.92 4.49 0.00 1.69 1.76 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.45 7.81 188 G 8.35 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 0.00 0.00 0.00 0.00 189 I 8.79 3.63 1.84 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 1.50 1.26 0.78 0.00 0.00 190 H 8.12 4.00 0.00 3.34 3.75 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 7.85 4.15 0.00 4.02 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 0.00 192 R 7.66 3.77 0.00 2.08 1.86 0.00 3.15 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 1.55 1.61 0.00 193 I 7.14 3.28 0.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.18 0.44 0.00 0.00 194 F 6.86 3.68 0.00 2.86 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 0.00 195 Q 7.67 4.10 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 196 H 8.28 3.93 0.00 3.24 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.92 3.95 0.00 1.85 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 2.46 2.48 0.00 198 F 8.74 4.16 0.00 2.23 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 0.00 199 D 8.28 4.15 0.00 2.76 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 0.00 200 H 7.67 3.83 0.00 3.39 3.26 0.00 5.61 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 0.00 201 L 7.74 4.01 0.00 1.55 1.59 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 202 N 7.64 4.51 0.00 2.52 2.66 0.00 0.00 6.94 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 0.00 203 G 7.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 T 8.47 4.55 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 1.23 0.00 0.00 205 L 8.87 4.82 0.00 1.94 1.69 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 206 F 8.86 4.37 0.00 3.21 2.92 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 0.00 207 I 7.38 3.23 1.49 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 -0.15 0.00 0.00 208 D 7.83 4.38 0.00 2.67 2.74 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 0.00 209 K 7.36 4.43 0.00 1.69 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.33 7.81 *211 T 7.24 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 1.17 0.00 0.00 212 Q 8.45 3.95 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 213 V 7.58 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 0.98 0.00 0.00 0.90 0.00 0.00 214 D 7.85 4.32 0.00 2.59 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 0.00 0.00 0.00 215 K 8.56 3.92 0.00 1.73 1.77 0.00 1.34 0.00 0.00 1.36 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.39 7.81 216 K 7.66 4.04 0.00 1.89 1.98 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 217 K 7.90 4.20 0.00 1.93 1.95 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.56 7.81 218 V 7.18 4.33 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 0.56 0.00 0.00 0.85 0.00 0.00 219 R 7.90 3.83 0.00 1.96 1.99 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 220 P 0.00 4.20 0.00 2.20 2.08 0.00 3.54 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 2.21 0.00 221 K 7.96 4.01 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.54 7.81 222 L 7.87 4.11 0.00 2.01 1.76 0.77 0.22 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 0.00 223 N 8.45 4.51 0.00 2.87 2.90 0.00 0.00 7.03 7.50 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 0.00 224 E 8.49 4.00 0.00 2.17 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 0.00 2.36 2.56 0.00 225 L 8.02 3.67 0.00 2.12 1.86 1.06 0.69 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 0.00 226 I 7.64 3.69 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.91 0.00 0.00 227 R 8.44 3.88 0.00 1.87 1.65 0.00 3.16 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 228 D 8.53 4.38 0.00 2.62 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 0.00 229 Y 8.38 4.12 0.00 2.95 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 0.00 230 K 8.22 4.00 0.00 2.07 2.08 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.73 1.66 7.81 231 A 7.04 4.65 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 0.00 232 T 7.60 3.79 3.55 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 0.81 0.00 0.00 233 H 7.18 4.98 0.00 3.16 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 S 7.65 4.66 0.00 4.12 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 0.00 235 E 8.16 4.11 0.00 1.97 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 2.29 2.32 0.00 236 E 7.98 4.15 0.00 2.02 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 2.39 2.32 0.00 237 P 0.00 4.37 0.00 2.20 2.11 0.00 3.59 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 2.10 0.00 238 L 7.88 4.07 0.00 1.60 1.68 0.91 0.84 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 0.00 239 E 7.32 4.61 0.00 2.05 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 0.00 2.26 2.19 0.00 240 H 7.27 4.69 0.00 3.12 3.24 0.00 5.52 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 0.00 241 H 8.43 4.54 0.00 3.15 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.