NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6674 8.4244 119.1961 54.0610 40.6697 172.4147 3 E 4.2101 8.8120 117.2208 55.5615 36.2733 175.2668 4 Q 3.9928 8.5656 120.8641 59.2898 30.0364 177.6626 5 A 4.4950 7.9788 122.5152 54.6812 18.5997 179.1540 6 I 3.8414 7.6876 117.2659 64.8022 37.1106 178.5722 7 L 4.2169 7.9222 118.7956 58.2333 40.8787 179.3417 8 Q 3.7505 8.3904 117.3949 59.3030 28.6345 179.6503 9 S 4.2763 8.5126 115.7384 61.6065 63.0140 176.4673 10 A 3.9679 8.2767 122.9927 55.2442 18.0127 179.1264 11 E 3.9859 8.8856 116.9286 58.7048 29.7996 178.1897 12 A 4.2829 7.3496 120.5718 54.1162 19.7522 178.8224 13 W 4.2536 8.0164 126.5958 60.8717 30.6730 178.3403 14 V 3.4205 7.7186 116.1270 64.9466 30.8726 177.1153 15 K 3.6098 7.5035 118.1447 58.4079 32.7627 178.1643 16 K 4.0205 8.2699 119.4952 60.3420 32.5365 179.2485 17 Q 4.3640 8.0003 119.9273 56.6880 29.6808 177.4516 18 L 4.3616 7.1524 120.5651 53.8701 40.7032 176.5384 *20 D 4.5736 7.5540 112.0549 53.2519 42.6215 177.6860 21 E 4.0653 8.7347 118.9881 58.4224 28.5133 176.8851 *26 D 4.7046 8.9812 125.3379 54.7678 44.0220 176.3329 27 W 4.3509 8.1312 127.6631 60.3425 30.7810 177.2873 28 Y 3.5533 8.0755 116.3867 61.3436 37.2223 178.0591 29 H 4.0155 7.7220 119.1185 59.5151 30.0405 177.2770 30 I 3.4956 7.3364 120.8656 64.2777 36.7794 178.0357 31 R 3.2113 7.0464 120.0255 59.0273 29.6375 178.6673 32 R 3.8042 8.0491 116.1478 59.2964 29.4675 178.8230 33 V 3.6014 7.6910 119.3188 64.6266 31.4951 178.4168 34 T 3.9536 7.4781 116.0526 66.3140 68.3346 176.8957 35 L 3.9339 7.7259 117.7846 56.1480 41.7066 178.7486 *37 A 4.1644 7.8518 123.3941 52.0805 19.9304 178.8960 38 K 3.9632 7.5620 116.7069 58.2876 31.9951 178.4581 39 A 3.9597 8.4236 120.3963 55.8253 18.3655 179.8964 40 I 3.7978 7.8599 117.3224 64.2034 37.2408 178.7324 41 G 3.6876 8.3174 107.4394 47.7620 0.0000 175.4001 42 E 4.2230 8.0536 119.4289 57.6999 29.7409 178.3314 43 Q 4.0594 7.7975 120.2367 58.4661 29.1445 176.4896 44 E 4.4237 7.6599 117.1035 54.5708 30.2358 176.0053 45 K 3.7795 7.4644 116.9307 57.6168 30.3237 174.6202 46 V 4.2536 7.2076 110.2369 59.3368 33.9958 177.0811 47 D 4.6077 9.6319 121.3645 54.3940 38.9791 176.6254 48 V 3.7901 8.1976 124.2182 64.8808 31.5244 176.3253 49 F 4.7555 8.3793 121.2239 61.1340 39.2719 177.0519 50 V 3.2838 7.9756 118.1667 65.0001 30.9507 178.4509 51 V 3.5108 7.5366 119.8484 64.5457 31.1218 178.4037 52 Q 3.9061 7.6140 117.4513 58.6338 28.4657 178.7500 53 I 3.4868 7.8500 120.7909 64.1414 37.0560 178.0465 54 A 3.9426 8.5665 121.7846 55.3056 17.9899 179.1580 55 A 3.8558 7.8459 117.8947 55.6274 18.4445 179.5133 56 L 3.7593 7.3159 115.5743 57.3031 42.2667 178.9443 57 F 4.7237 7.4316 115.5759 57.4583 39.2553 177.3730 58 H 4.0450 8.2950 116.0941 59.1936 27.9538 176.0895 59 D 4.1296 7.7235 121.3920 56.1129 41.1085 175.7119 60 L 4.2520 6.8558 125.4869 56.5647 39.1664 175.2321 61 I 4.4082 7.6108 125.1667 62.1852 44.5209 174.7449 62 D 4.7341 7.3807 119.8004 51.7668 42.0110 176.2670 *70 E 4.3257 7.8334 124.6218 55.5181 30.6133 178.9180 71 T 3.8277 8.7803 107.6305 65.3378 66.7775 175.5017 72 A 3.9558 7.7831 121.0034 55.0166 18.4096 179.4625 73 K 3.7628 7.9361 117.4129 59.6699 32.4009 178.2603 74 Q 3.9365 8.0433 119.8437 59.5307 28.8450 178.1667 75 Q 4.0381 8.4141 120.6946 59.4299 28.7388 179.1916 76 L 4.0788 7.0934 118.6274 57.7704 42.0508 178.5729 77 I 3.7992 7.6599 117.1005 64.5265 37.9284 177.1215 78 D 4.5727 8.7905 120.1001 56.5056 40.8322 178.2959 79 W 3.8932 7.9619 128.0699 58.7208 31.6963 177.4476 *81 E 4.1642 8.2717 117.9363 55.9464 30.6943 177.1499 82 A 4.0866 7.8954 118.4545 52.6661 18.2895 177.3835 83 A 4.1859 7.1315 115.8011 51.4881 19.9650 178.2166 84 G 3.8343 7.9119 104.0261 45.0290 0.0000 173.9952 85 V 3.7481 7.6110 119.7265 61.8018 31.8697 174.5244 86 P 4.3663 0.0000 0.0000 63.1030 32.6443 176.8156 87 S 4.1201 8.8497 116.2469 62.1640 62.3576 177.0120 88 Q 3.9940 8.0039 119.6731 58.5076 28.8562 178.5259 89 K 4.1497 8.0590 118.7583 59.6526 31.7117 178.8176 90 I 3.7168 8.0985 118.9387 64.4827 37.6951 177.1048 91 D 4.5858 8.4183 117.2931 56.0066 40.8069 176.8391 92 H 4.8105 8.4212 118.1191 57.3256 31.1854 175.9806 93 T 3.7646 7.2491 114.6699 65.4246 67.8454 174.9516 *95 D 4.5157 7.8623 120.5581 53.9232 42.9132 175.9877 96 I 4.0338 7.5774 117.5445 62.6334 38.5372 176.5945 97 I 3.8580 7.9935 120.7590 64.6124 37.0141 176.8904 98 N 4.4366 8.1130 115.8092 56.2658 37.8380 176.5365 99 T 4.2231 8.3022 110.9883 60.3317 66.3839 174.8248 100 I 4.1922 7.0050 121.7546 60.0400 39.2204 174.0122 *111 A 4.4338 8.2675 127.8025 51.3400 20.0893 176.7274 112 T 4.7687 7.1633 109.6656 61.9795 72.9305 175.5353 113 R 3.9570 8.7038 122.7372 59.6504 30.4334 178.4349 114 E 4.0421 8.3689 116.6676 59.4410 29.6890 179.3925 115 A 4.3086 7.5673 119.2933 52.5383 18.0158 179.4110 *117 V 3.9524 7.9675 120.6141 64.5300 33.2338 177.8912 118 V 3.5970 7.4877 118.3803 65.7255 31.1693 178.0530 119 Q 3.9231 8.2888 118.3182 58.9585 28.3946 178.4236 120 D 4.2253 8.0044 118.9484 57.4412 40.8064 178.2004 121 A 3.9055 7.6962 119.7645 55.5422 18.4115 178.9805 122 D 4.3009 7.8366 116.2221 57.3730 41.4770 178.4969 123 R 4.0365 7.9321 115.9998 58.3234 29.5182 177.9057 124 L 4.1377 8.9253 121.8896 56.8322 41.9060 177.0398 125 D 4.4371 7.5916 115.9645 55.1911 41.2094 176.1313 126 A 4.2063 7.9623 121.0813 53.5081 19.3140 176.9748 127 L 4.4847 7.3648 114.9555 53.1428 44.4000 176.1041 128 G 3.9380 8.6057 105.4725 44.6691 0.0000 173.7465 129 A 4.2526 8.8871 119.1938 55.3702 18.2302 179.9022 130 I 3.7383 7.8556 111.1961 64.1436 37.6464 178.4616 131 G 3.6591 7.8846 108.4444 46.8669 0.0000 175.5065 132 I 3.7263 8.1786 122.4659 63.9562 37.0759 178.4118 133 A 4.0442 8.1916 121.7090 55.3692 18.3272 179.6924 134 R 3.7501 8.4036 117.3941 59.7356 29.9446 178.7685 135 T 3.4147 7.5681 115.7597 66.4278 68.4364 176.8083 136 F 4.2907 7.7814 118.8242 60.1107 38.8693 177.8699 137 A 4.0400 8.1462 120.9497 55.5736 18.3220 179.1616 138 Y 4.1350 8.1514 115.2047 61.3745 37.9600 179.2966 139 S 4.2880 8.4260 116.2348 61.6699 62.4633 177.0294 140 G 3.6883 7.9909 107.9962 47.7323 0.0000 175.3142 141 N 4.3954 7.9618 118.6433 56.3496 39.0978 176.9423 142 K 4.1406 8.3310 119.0513 56.9343 32.2244 177.3270 143 G 3.8045 7.6461 106.2033 46.6246 0.0000 173.1107 144 Q 4.6967 7.6915 116.6777 52.6991 31.3846 173.0853 145 P 4.6302 0.0000 0.0000 62.1286 32.6002 177.3866 146 I 3.9938 8.6731 114.5297 63.8967 37.7846 175.3089 147 Y 4.9621 7.7347 119.5765 55.4210 41.8426 173.6932 148 D 4.3204 7.3571 124.3932 51.5472 42.7517 174.0119 149 P 4.0579 0.0000 0.0000 65.3033 31.5244 177.1786 150 E 4.2640 8.1596 116.7152 56.3411 29.4694 175.8884 151 L 4.6018 7.5327 120.3862 52.1162 43.2864 174.6132 152 P 4.5431 0.0000 0.0000 61.4644 32.5005 175.8336 153 I 4.2800 7.8011 113.0233 60.5362 39.1308 175.0916 154 R 4.1452 7.7042 119.4713 55.5642 31.5270 175.1736 *158 T 4.2787 8.0237 108.9865 62.9346 70.9755 175.7424 159 V 3.7233 7.5563 121.1584 64.9278 32.1602 177.9760 160 E 4.2106 8.1099 115.2617 56.7929 29.6839 177.5041 161 E 3.5423 7.1113 116.6318 59.6787 28.2335 176.3284 162 Y 4.7801 8.2093 116.1715 57.9663 39.7306 177.6623 163 R 4.1632 8.0164 119.9368 59.0608 30.6076 174.8506 164 H 4.5107 7.9911 115.9890 56.7903 36.2591 171.8808 165 G 3.8980 8.2812 110.7606 44.8727 0.0000 171.9090 166 K 3.9772 8.3896 124.7422 56.4079 32.0682 176.4757 167 S 4.8636 8.3724 119.5719 56.2540 65.3762 172.9912 168 T 4.8347 7.8390 108.9538 58.8885 72.6057 173.9393 169 A 3.6637 7.9944 124.6417 55.7023 18.6769 179.9045 170 I 3.8893 7.7501 117.5772 64.8566 37.3675 178.4396 171 N 4.4615 8.5326 117.4420 56.6165 38.3567 176.8730 172 H 4.0605 8.3605 119.7336 58.7831 29.6690 177.4391 173 F 3.6534 7.6960 119.9123 60.5179 38.4578 176.8451 174 Y 4.5208 7.5469 113.3658 59.7321 38.0276 176.8555 175 E 4.3210 8.0469 119.2288 57.3337 30.1629 175.9352 176 K 4.2662 7.5596 115.9512 57.9362 34.0043 176.8503 177 L 3.9861 7.5356 117.9048 58.1687 41.7129 179.2367 178 F 4.5827 8.4574 117.3548 59.2366 39.4070 175.9020 179 K 4.8038 7.9294 120.1103 56.6419 32.8599 176.7182 180 L 4.5248 7.7719 119.8401 57.1926 43.8579 179.2949 181 K 3.8840 8.2115 116.5647 59.8351 32.2812 177.8612 182 D 4.4298 8.1444 117.2431 57.4084 41.5184 177.5790 183 L 4.1858 7.3275 118.0167 55.1202 39.3829 176.6146 *185 N 4.7361 7.5188 118.0440 53.4474 41.4138 175.8253 186 T 3.9974 9.0766 115.6065 63.7435 69.7378 175.4400 187 E 3.9463 8.9549 125.1411 60.1121 29.6150 179.9995 188 T 4.0391 7.7818 115.2476 66.1268 68.3421 176.9240 189 G 3.6461 7.9132 108.0383 47.9440 0.0000 175.8235 190 K 4.0109 8.0477 121.1468 59.0159 32.1015 178.5515 191 Q 3.9424 7.8834 119.2591 59.5915 28.9190 178.7255 192 L 3.9581 8.2034 119.1567 57.8411 41.7540 179.4951 193 A 4.0620 8.4689 120.9961 54.8019 18.1449 179.7574 194 K 3.8650 8.1479 118.4737 59.8262 32.2333 178.7766 195 E 4.0164 7.8903 117.8196 58.9685 29.5085 178.9137 196 R 4.1657 8.0708 118.3343 59.5090 30.1539 177.9161 197 H 4.1853 8.1693 116.6129 59.6093 29.9110 177.2273 198 V 3.7151 7.8171 113.8781 64.2330 31.3076 179.1907 199 F 4.4585 7.7722 118.6834 58.9947 39.1856 176.4578 *201 E 4.1598 8.2648 120.4820 55.8812 31.3912 178.0042 202 Q 3.9332 8.7453 120.2512 59.0508 28.9650 178.2565 203 F 3.8684 8.2046 122.0259 61.2023 39.4138 177.3813 204 I 3.7596 7.7795 111.9413 63.4987 37.1626 177.4682 205 E 4.0165 7.9761 121.2415 58.9830 29.7430 178.3602 206 R 3.8848 7.6603 119.8383 58.4979 29.7947 178.3845 207 F 3.8812 7.9915 120.5729 60.8521 39.6019 176.9166 208 L 4.1138 7.8782 119.7861 58.8431 39.8939 179.2289 209 S 4.1107 8.3313 115.6270 61.3386 62.5503 176.4230 210 E 3.9727 7.8473 120.5380 58.4074 29.2138 178.5180 211 W 4.3244 8.0147 128.1835 60.3920 30.6158 174.8811 212 N 4.6957 9.1099 112.8893 50.9309 41.2076 174.5210 213 G 3.6679 8.0883 114.1646 46.6974 0.0000 171.9054 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 N 8.42 4.67 0.00 2.66 2.78 0.00 0.00 6.72 6.77 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 3 E 8.81 4.21 0.00 1.60 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 4 Q 8.57 3.99 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 5 A 7.98 4.49 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 6 I 7.69 3.84 2.28 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 1.55 1.24 1.32 0.00 0.00 7 L 7.92 4.22 0.00 2.09 1.84 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.39 3.75 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 9 S 8.51 4.28 0.00 4.62 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 10 A 8.28 3.97 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 11 E 8.89 3.99 0.00 2.14 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 0.00 2.66 2.55 0.00 12 A 7.35 4.28 1.50 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 0.00 0.00 13 W 8.02 4.25 0.00 3.36 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 14 V 7.72 3.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.64 0.00 0.00 15 K 7.50 3.61 0.00 0.97 1.49 0.00 0.95 0.00 0.00 1.25 0.00 0.00 2.58 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.52 0.21 7.81 16 K 8.27 4.02 0.00 2.05 2.02 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.93 7.81 17 Q 8.00 4.36 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.55 0.00 0.00 0.00 0.00 0.00 2.67 2.77 0.00 18 L 7.15 4.36 0.00 1.97 1.72 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *20 D 7.55 4.57 0.00 2.94 2.94 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 0.00 0.00 0.00 21 E 8.73 4.07 0.00 2.00 1.76 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 2.46 2.43 0.00 *26 D 8.98 4.70 0.00 2.83 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 27 W 8.13 4.35 0.00 3.40 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 28 Y 8.08 3.55 0.00 3.13 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 29 H 7.72 4.02 0.00 3.41 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.34 3.50 1.63 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 1.44 0.81 0.64 0.00 0.00 31 R 7.05 3.21 0.00 0.67 1.51 0.00 3.27 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 32 R 8.05 3.80 0.00 1.87 1.99 0.00 3.28 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 33 V 7.69 3.60 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 0.65 0.00 0.00 0.87 0.00 0.00 34 T 7.48 3.95 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 1.15 0.00 0.00 35 L 7.73 3.93 0.00 1.79 1.65 0.91 0.98 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 *37 A 7.85 4.16 1.30 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 0.00 0.00 38 K 7.56 3.96 0.00 1.91 1.91 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.56 7.81 39 A 8.42 3.96 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 40 I 7.86 3.80 1.85 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 1.55 0.72 0.90 0.00 0.00 41 G 8.32 3.69 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 0.00 0.00 0.00 42 E 8.05 4.22 0.00 2.22 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 2.59 2.36 0.00 43 Q 7.80 4.06 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.17 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 44 E 7.66 4.42 0.00 2.10 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 2.44 2.47 0.00 45 K 7.46 3.78 0.00 1.85 1.84 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 V 7.21 4.25 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 0.71 0.00 0.00 1.04 0.00 0.00 47 D 9.63 4.61 0.00 2.81 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 48 V 8.20 3.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.01 0.00 0.00 49 F 8.38 4.76 0.00 2.98 3.21 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 50 V 7.98 3.28 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 0.98 0.00 0.00 0.75 0.00 0.00 51 V 7.54 3.51 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 0.94 0.00 0.00 1.01 0.00 0.00 52 Q 7.61 3.91 0.00 2.50 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.74 0.00 53 I 7.85 3.49 1.60 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.01 1.10 0.00 0.00 54 A 8.57 3.94 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 55 A 7.85 3.86 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.32 3.76 0.00 1.06 0.79 0.68 0.66 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 57 F 7.43 4.72 0.00 2.92 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 58 H 8.30 4.05 0.00 3.18 3.73 0.00 5.75 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 59 D 7.72 4.13 0.00 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0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 75 Q 8.41 4.04 0.00 2.28 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.85 2.71 0.00 76 L 7.09 4.08 0.00 1.61 1.26 0.42 -0.45 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 77 I 7.66 3.80 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 1.55 1.03 0.98 0.00 0.00 78 D 8.79 4.57 0.00 3.01 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 79 W 7.96 3.89 0.00 3.37 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 E 8.27 4.16 0.00 2.24 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 2.31 2.47 0.00 82 A 7.90 4.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.13 4.19 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 0.00 0.00 0.00 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3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 146 I 8.67 3.99 2.27 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.31 1.17 0.00 0.00 147 Y 7.73 4.96 0.00 2.88 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 0.00 148 D 7.36 4.32 0.00 2.53 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 0.00 0.00 0.00 0.00 149 P 0.00 4.06 0.00 2.35 2.42 0.00 3.78 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.37 0.00 150 E 8.16 4.26 0.00 2.17 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 2.36 2.44 0.00 151 L 7.53 4.60 0.00 1.75 1.47 0.88 0.74 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 0.00 152 P 0.00 4.54 0.00 2.15 2.02 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 153 I 7.80 4.28 1.88 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 1.32 0.84 1.06 0.00 0.00 154 R 7.70 4.15 0.00 2.01 1.69 0.00 3.16 0.00 0.00 3.55 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 *158 T 8.02 4.28 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 0.00 159 V 7.56 3.72 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 1.01 0.00 0.00 0.93 0.00 0.00 160 E 8.11 4.21 0.00 2.17 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 2.34 2.23 0.00 161 E 7.11 3.54 0.00 2.08 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 2.21 2.39 0.00 162 Y 8.21 4.78 0.00 3.03 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 0.00 163 R 8.02 4.16 0.00 1.85 2.11 0.00 3.28 0.00 0.00 3.17 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 164 H 7.99 4.51 0.00 3.02 3.24 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.28 3.90 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 0.00 0.00 0.00 166 K 8.39 3.98 0.00 1.74 1.79 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 167 S 8.37 4.86 0.00 3.69 3.66 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 0.00 168 T 7.84 4.83 4.46 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 1.14 0.00 0.00 169 A 7.99 3.66 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.75 3.89 2.12 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.06 1.09 0.00 0.00 171 N 8.53 4.46 0.00 2.87 2.85 0.00 0.00 6.69 7.87 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 0.00 172 H 8.36 4.06 0.00 3.04 3.04 0.00 5.58 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 0.00 173 F 7.70 3.65 0.00 2.83 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 0.00 174 Y 7.55 4.52 0.00 3.13 3.02 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 0.00 175 E 8.05 4.32 0.00 1.83 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 0.00 2.14 2.42 0.00 176 K 7.56 4.27 0.00 1.31 1.51 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.31 7.81 177 L 7.54 3.99 0.00 1.69 1.68 0.68 1.06 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 0.00 178 F 8.46 4.58 0.00 3.10 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 0.00 179 K 7.93 4.80 0.00 1.86 1.89 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.37 7.81 180 L 7.77 4.52 0.00 1.77 1.71 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 181 K 8.21 3.88 0.00 1.72 1.93 0.00 1.51 0.00 0.00 1.29 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.69 7.81 182 D 8.14 4.43 0.00 2.67 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 0.00 183 L 7.33 4.19 0.00 1.80 1.65 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *185 N 7.52 4.74 0.00 2.98 2.87 0.00 0.00 7.24 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 0.00 186 T 9.08 4.00 4.43 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 1.36 0.00 0.00 187 E 8.95 3.95 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 188 T 7.78 4.04 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 1.20 0.00 0.00 189 G 7.91 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 0.00 0.00 0.00 190 K 8.05 4.01 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.65 7.81 191 Q 7.88 3.94 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 192 L 8.20 3.96 0.00 1.74 1.69 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.47 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 8.15 3.87 0.00 2.01 2.03 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 195 E 7.89 4.02 0.00 2.03 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 2.32 2.36 0.00 196 R 8.07 4.17 0.00 2.11 2.03 0.00 3.40 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 197 H 8.17 4.19 0.00 3.25 3.42 0.00 5.78 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 0.00 198 V 7.82 3.72 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 0.79 0.00 0.00 1.05 0.00 0.00 199 F 7.77 4.46 0.00 3.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *201 E 8.26 4.16 0.00 2.11 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 1.84 1.84 0.00 202 Q 8.75 3.93 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 203 F 8.20 3.87 0.00 2.67 2.62 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 0.00 204 I 7.78 3.76 1.79 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.33 0.00 0.00 205 E 7.98 4.02 0.00 2.12 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 2.29 2.32 0.00 206 R 7.66 3.88 0.00 1.94 1.82 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 207 F 7.99 3.88 0.00 2.73 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 0.00 208 L 7.88 4.11 0.00 1.88 1.85 0.98 1.24 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 0.00 209 S 8.33 4.11 0.00 4.04 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 0.00 210 E 7.85 3.97 0.00 2.05 1.88 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 2.25 2.31 0.00 211 W 8.01 4.32 0.00 3.18 3.21 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 0.00 212 N 9.11 4.70 0.00 2.63 2.59 0.00 0.00 6.84 8.19 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 0.00 213 G 8.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.