NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3054 8.1593 115.2427 61.7633 69.2745 173.7932 5 T 4.2754 7.7192 109.7854 61.2841 70.4017 168.8451 6 V 4.8725 7.7518 121.3502 60.9242 35.5166 175.6169 7 V 4.3263 8.1613 125.6202 62.2830 34.1048 174.9333 8 N 4.2801 9.7351 123.4956 54.4136 35.9233 174.8424 9 G 3.8864 8.4185 102.8023 46.0443 0.0000 173.9159 10 V 4.1515 7.5664 119.7967 60.6223 33.2490 174.6011 11 N 4.8835 8.5142 125.2788 53.2049 38.8827 175.8068 12 V 3.7256 8.2789 122.8288 63.8458 31.7844 178.1044 13 D 4.4851 8.0612 118.0161 57.4026 40.9650 177.9620 14 Q 4.1476 8.6867 120.3530 58.8660 28.9285 178.3867 15 L 4.0907 7.8377 117.7906 55.9881 41.9572 178.1936 *17 A 4.2564 7.9483 122.0371 52.1085 20.7255 179.9851 18 T 4.1403 8.1113 114.0025 66.2930 68.3477 176.9373 19 I 3.7041 7.9461 121.8178 64.5325 37.2606 178.4194 20 E 3.9680 8.1070 118.8713 59.4202 29.1156 179.2247 21 Q 4.0322 8.3746 118.3838 59.0916 28.2411 179.0168 22 I 4.0181 7.9788 120.8325 64.1920 36.9122 178.5070 23 K 3.9556 8.1498 118.5590 59.5246 31.9630 178.9210 24 A 4.3505 7.7696 119.5786 53.7349 19.6601 177.9691 25 K 4.5271 8.1013 117.4581 52.6445 33.2536 174.9284 26 P 4.5027 0.0000 0.0000 64.7946 31.2368 178.0443 27 E 4.0511 8.3434 117.1013 59.5802 29.0459 179.0315 28 I 3.7228 8.0217 120.5328 64.0936 36.9283 177.5223 29 A 4.5856 7.9648 119.5472 52.6294 18.5003 177.2050 30 Q 4.3903 8.0109 118.4573 55.7403 29.5929 175.4151 31 F 5.0823 9.1270 122.4703 55.5054 42.6089 174.9846 32 K 4.6472 8.9509 120.3204 54.7268 35.6145 175.3863 33 F 5.3565 8.9570 122.6245 55.9142 41.7744 175.0579 34 R 4.7940 8.7733 118.9299 54.8441 34.0847 174.0866 35 A 5.1234 8.2785 120.1174 51.0684 22.6172 175.3477 36 T 4.8097 8.7799 108.6727 60.0421 72.5586 172.5366 37 N 5.4952 8.6247 120.1113 52.1750 42.4688 172.9442 38 Q 4.7097 9.0270 127.1012 53.9744 31.8723 175.5797 39 W 4.7070 8.8387 135.0000 56.7062 32.3972 174.6926 *41 G 2.9834 8.3525 106.4442 46.0075 0.0000 173.1428 42 G 3.8248 8.8449 111.3577 47.2215 0.0000 174.6472 43 T 4.3296 8.5677 113.0086 62.3142 69.3040 173.2154 44 H 5.5404 8.3043 123.6649 55.2932 30.9505 173.7603 45 N 5.2497 9.3241 122.1214 51.6186 41.7329 172.8198 46 Q 5.0226 9.0611 119.4944 54.4049 32.3350 173.5301 47 A 5.3162 9.1056 128.2250 50.6921 22.1364 175.4543 48 T 4.9905 9.1399 117.1053 61.8150 72.4509 173.0282 49 I 4.6159 8.5487 125.9693 61.1918 39.7886 173.6246 50 K 4.7478 9.0720 125.3624 57.1432 34.4675 176.8034 51 D 5.1489 8.9458 114.9473 53.2135 42.0214 176.5347 52 F 5.1037 8.7275 113.6959 55.9078 42.3370 172.1904 53 Y 4.7856 8.6111 119.8203 55.7295 41.4982 174.4321 54 G 2.6164 7.8916 111.1070 44.9720 0.0000 173.2340 55 A 3.6632 7.6215 119.8261 53.7534 18.6407 177.5480 *57 A 3.9787 7.4522 115.8479 51.5200 19.6862 175.7541 58 E 4.3592 8.4969 119.7594 56.2846 30.3316 176.4758 59 D 4.4662 8.7749 122.0911 52.6608 42.6686 175.3920 60 D 5.1441 8.3760 128.3781 54.0924 41.8117 176.9583 61 T 4.1683 8.2660 110.0076 63.0875 69.4837 175.2357 62 R 4.3124 7.8029 120.6299 54.8114 31.0796 176.0706 63 K 4.0397 8.5383 122.7322 55.8199 33.0556 176.8330 64 P 5.0066 0.0000 0.0000 61.9142 31.4816 174.9276 *66 V 4.0237 8.0772 116.5359 63.3572 32.5430 176.1380 67 F 4.9814 9.1803 125.4461 55.8533 42.5767 173.4004 68 D 5.3202 8.9892 122.8861 53.0192 42.8738 175.2467 69 L 5.1293 8.9770 123.4131 53.3766 44.8734 174.9669 70 D 5.0688 8.7137 122.4310 54.3668 45.9340 173.4155 71 E 5.1174 8.6639 114.5738 54.2483 34.5805 173.4166 72 P 5.0100 0.0000 0.0000 61.2664 32.5443 175.4439 73 P 4.6607 0.0000 0.0000 65.0435 31.2735 179.3387 74 V 3.6665 7.8389 115.6813 63.7369 31.3539 176.4779 75 L 4.5614 7.7617 120.1322 54.5639 41.8636 176.9162 76 L 3.8607 8.3267 116.4686 54.9869 39.7534 174.4926 77 G 4.5118 7.6010 109.1364 43.4352 0.0000 173.7084 78 E 4.9313 8.4485 118.3452 56.3611 31.0704 175.1245 79 N 4.2029 8.4620 112.9675 54.5882 36.7064 176.1350 80 R 4.0498 8.7722 115.2379 56.5475 30.5345 176.7882 81 G 4.2926 7.0983 104.7953 45.4635 0.0000 172.8009 82 A 4.5446 8.1071 121.9610 51.8143 19.9726 176.6761 83 N 5.4726 9.2463 117.1729 50.7773 39.4084 174.7869 84 P 4.3415 0.0000 0.0000 65.9015 31.2535 179.3869 85 V 3.8715 7.8498 110.4996 63.8971 31.4448 178.3744 86 E 4.0458 8.8792 119.2471 59.6493 29.3226 178.6945 87 Y 3.9355 8.3254 116.7652 60.9140 37.8101 178.6623 88 L 3.9937 7.9951 121.3192 58.1238 42.1484 179.0108 89 L 3.8467 7.7718 119.1731 57.4842 41.4996 179.4919 90 V 3.3183 7.8297 118.0933 65.9247 31.4450 177.8640 91 A 3.9003 7.9954 120.3297 55.0859 18.1904 179.2922 92 L 3.9239 7.9311 119.0250 58.3068 42.2019 179.3310 93 S 4.5418 7.4330 116.0048 60.9227 62.7250 176.7774 94 G 3.5517 8.0944 109.4503 47.3285 0.0000 175.4228 95 C 4.0963 8.1667 120.9718 62.3287 31.6506 175.5058 96 L 4.0492 8.1613 120.6536 58.2327 41.1799 179.7771 97 T 4.0877 8.1174 115.3922 67.1204 68.3918 176.9413 98 T 3.8692 8.1173 117.6783 66.5964 68.3162 176.7392 99 S 4.1356 8.5502 115.5521 61.1630 62.4204 175.9239 100 L 3.8901 8.0254 123.0692 58.2309 41.7842 179.1881 101 V 3.5669 8.0250 118.0857 65.9748 31.4864 177.8828 102 A 3.9454 8.3779 120.9736 55.4454 18.0469 179.3960 103 H 4.0231 8.3787 114.6087 58.6382 28.6460 177.8885 104 A 3.9835 8.2070 122.5323 55.1171 18.2310 179.4172 105 A 3.8861 8.3015 119.3809 55.4197 18.2250 179.7893 106 A 3.9476 7.9573 117.9620 54.7017 18.5002 179.0869 107 R 4.3120 7.4811 114.3807 55.7217 30.4674 177.1216 108 G 3.7629 7.8416 106.8844 46.2078 0.0000 173.7628 109 I 4.1158 7.8056 121.1172 59.1219 37.0819 175.6875 110 A 4.3993 8.4238 129.2856 51.8376 19.0009 176.2199 111 L 4.8012 9.0053 122.7008 53.2082 44.0531 177.0624 112 R 4.2645 9.0474 122.3553 58.5921 31.2117 177.2289 113 G 4.3059 7.6953 103.2172 45.2151 0.0000 172.5418 114 V 5.2927 8.2905 121.7123 61.0223 34.8267 174.1320 115 K 4.9085 9.2000 125.6974 55.9868 36.5308 174.7316 116 S 4.8030 8.1468 113.7608 57.2585 65.6536 173.5576 117 R 4.8947 8.4287 116.5831 54.8131 33.2089 173.6521 118 Y 5.0329 8.4271 116.8277 56.4526 42.6604 173.8601 119 E 4.9505 9.3138 123.9217 54.8452 33.4644 174.0209 120 G 4.4367 8.8187 112.8933 44.5533 0.0000 171.1670 121 D 5.2271 8.8002 121.6450 52.6296 43.0787 175.7331 122 I 4.8133 8.2815 122.8945 59.5104 41.2844 174.2041 123 D 4.7552 8.5505 125.8458 52.4570 42.0037 176.7668 124 L 4.2487 8.4487 127.2992 56.9124 41.6282 179.2303 125 R 4.1244 8.6640 118.9618 58.9568 29.8689 178.6625 126 G 3.5778 8.1253 106.1605 47.6100 0.0000 175.1987 127 F 4.0382 8.2242 123.5250 60.5609 39.4062 176.2267 128 L 4.0985 8.2098 117.2043 54.3201 41.7160 176.7104 129 G 3.8744 7.7471 106.7909 46.8080 0.0000 174.6987 130 L 4.4786 8.3293 119.7964 54.5716 42.8342 177.2151 131 S 4.5265 7.7530 114.9189 57.4553 65.1502 173.9328 132 E 4.2547 8.9036 124.7799 57.4802 29.8401 175.4608 133 E 4.2059 7.6476 113.7551 58.7981 30.3493 182.5634 134 V 3.6105 7.7127 118.1434 62.3608 31.9702 174.4929 135 P 4.4500 0.0000 0.0000 62.8389 31.9092 176.5713 136 V 3.7240 8.3903 119.9284 65.6335 31.8662 176.6791 137 G 3.9595 7.6372 106.7971 44.2851 0.0000 172.0805 138 Y 4.3498 8.4113 116.4168 58.7797 38.2767 176.9265 139 R 4.2861 9.2357 125.7028 59.3368 31.0720 175.8760 140 E 4.8589 7.7299 113.8438 55.8276 32.5536 174.6965 141 I 4.9398 8.2662 120.1704 59.5767 40.9805 175.0188 142 R 4.5320 9.1383 125.6168 54.3056 32.5857 175.1470 143 V 4.4811 7.9614 122.8906 60.8501 34.6910 174.4221 144 F 4.8604 8.6427 125.0732 55.6611 42.3707 173.9717 145 F 5.0915 9.0334 121.0338 55.7803 41.7255 174.9963 146 S 4.8813 9.2130 118.4728 56.8079 65.8867 173.0984 147 I 4.9203 8.4589 124.7063 59.5658 39.9848 174.4300 148 D 4.7795 9.2031 128.3318 53.5323 41.9690 174.9163 149 A 4.5890 8.0752 125.5438 50.8009 22.0090 175.9285 150 D 4.6270 8.3147 119.9320 53.1387 39.8038 175.3454 151 L 4.9462 7.1291 119.6519 52.1368 46.5037 177.4626 152 T 4.2805 8.8423 112.0419 61.2205 70.9722 175.6122 153 D 4.4383 8.6331 121.3779 57.5419 40.8524 179.2784 154 G 3.6714 8.0702 105.6227 47.8891 0.0000 175.5945 155 Q 4.0489 8.2338 120.4596 58.4418 28.6593 178.9863 156 K 3.9494 8.2975 119.7989 59.5602 31.7202 179.2112 157 E 3.9539 8.5438 119.2426 59.2475 29.0802 179.0873 158 E 3.9297 8.0258 118.6177 59.2312 29.8017 178.4249 159 L 4.0762 7.5827 117.8549 57.9660 41.9442 179.3740 160 I 3.6324 7.6525 119.6273 64.0658 36.8994 179.3592 161 R 3.5788 7.8458 115.9910 56.5415 29.2931 178.4959 *163 A 4.3150 7.8393 122.6807 52.5003 20.5667 180.0133 164 Q 3.2263 7.6519 114.6468 58.7508 28.8835 178.8741 165 K 3.5887 7.7119 117.7799 59.1522 32.0273 176.8840 166 Y 4.5977 6.8649 112.4930 57.8183 38.5159 175.9063 167 S 4.4462 7.7489 116.8352 56.8893 63.1948 172.4238 168 P 4.2956 0.0000 0.0000 65.8800 31.2021 178.8226 169 V 3.5935 7.7367 116.4591 65.8831 31.4891 177.0462 170 Y 3.9819 8.1205 119.3771 61.1025 38.6386 178.2309 171 N 4.4561 8.4534 116.9708 56.3956 38.3854 177.6679 172 T 3.9522 7.7638 116.7667 66.1412 68.5299 176.9163 173 V 3.6354 7.5959 119.4269 66.0236 31.7987 177.8739 174 A 3.9898 7.8395 118.7646 52.7305 18.4001 177.1368 175 K 4.5756 7.0396 115.8308 53.4195 35.1889 173.9836 176 P 4.4075 0.0000 0.0000 62.4060 31.8227 175.8249 177 V 4.3733 8.1274 122.9249 59.7533 33.6610 173.1711 178 P 4.3379 0.0000 0.0000 62.6279 31.8465 175.9078 179 V 4.1735 8.1822 120.1473 60.9725 33.2865 174.3228 180 A 4.4138 8.5557 130.8230 50.9154 19.6518 176.1993 181 V 4.3702 8.3192 122.3988 60.9397 33.7298 174.5973 182 L 4.8511 8.2348 126.0104 52.5034 45.1677 175.7483 183 L 4.0822 8.2869 122.9902 54.5578 42.7089 176.0401 184 D 4.4081 8.6045 128.3215 53.7256 40.7637 176.8058 *185 R 4.1530 8.3865 124.1739 56.4171 30.1033 172.4424 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 4 T 8.16 4.31 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 1.21 0.00 0.00 5 T 7.72 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 1.29 0.00 0.00 6 V 7.75 4.87 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 0.85 0.00 0.00 0.93 0.00 0.00 7 V 8.16 4.33 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 0.92 0.00 0.00 8 N 9.74 4.28 0.00 2.90 2.88 0.00 0.00 7.09 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 9 G 8.42 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 10 V 7.57 4.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 11 N 8.51 4.88 0.00 2.79 2.71 0.00 0.00 7.24 7.71 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 12 V 8.28 3.73 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 0.88 0.00 0.00 0.95 0.00 0.00 13 D 8.06 4.49 0.00 2.84 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 14 Q 8.69 4.15 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 15 L 7.84 4.09 0.00 1.76 1.76 0.84 0.77 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 *17 A 7.95 4.26 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 18 T 8.11 4.14 4.39 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 1.23 0.00 0.00 19 I 7.95 3.70 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.89 0.00 0.00 20 E 8.11 3.97 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 2.39 2.34 0.00 21 Q 8.37 4.03 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 22 I 7.98 4.02 2.07 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 1.58 1.18 0.94 0.00 0.00 23 K 8.15 3.96 0.00 1.88 1.89 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 24 A 7.77 4.35 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 25 K 8.10 4.53 0.00 1.80 1.96 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.36 7.81 26 P 0.00 4.50 0.00 2.29 2.35 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.91 0.00 27 E 8.34 4.05 0.00 2.22 2.30 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 2.38 2.38 0.00 28 I 8.02 3.72 2.04 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 1.45 0.74 0.98 0.00 0.00 29 A 7.96 4.59 1.42 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 0.00 0.00 30 Q 8.01 4.39 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 31 F 9.13 5.08 0.00 2.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.95 4.65 0.00 1.62 1.64 0.00 1.33 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.33 1.42 7.81 33 F 8.96 5.36 0.00 3.02 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 34 R 8.77 4.79 0.00 1.85 1.85 0.00 3.40 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 35 A 8.28 5.12 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 36 T 8.78 4.81 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 37 N 8.62 5.50 0.00 2.71 2.69 0.00 0.00 6.75 7.08 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 38 Q 9.03 4.71 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 39 W 8.84 4.71 0.00 3.19 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 *41 G 8.35 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 0.00 0.00 0.00 42 G 8.84 3.82 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 0.00 0.00 0.00 43 T 8.57 4.33 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 44 H 8.30 5.54 0.00 3.31 3.40 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.32 5.25 0.00 3.21 3.08 0.00 0.00 5.97 7.71 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 46 Q 9.06 5.02 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 47 A 9.11 5.32 1.26 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 0.00 0.00 48 T 9.14 4.99 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 49 I 8.55 4.62 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 1.08 0.00 0.00 50 K 9.07 4.75 0.00 1.70 1.56 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.01 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 0.00 128 L 8.21 4.10 0.00 1.73 1.71 1.00 0.99 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 0.00 129 G 7.75 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 0.00 130 L 8.33 4.48 0.00 1.60 1.72 0.94 0.73 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 0.00 131 S 7.75 4.53 0.00 3.77 3.68 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 0.00 0.00 0.00 0.00 132 E 8.90 4.25 0.00 2.03 1.83 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 2.20 1.87 0.00 133 E 7.65 4.21 0.00 1.99 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 2.25 2.11 0.00 134 V 7.71 3.61 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 1.03 0.00 0.00 0.99 0.00 0.00 135 P 0.00 4.45 0.00 2.39 2.06 0.00 3.83 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 2.01 1.98 0.00 136 V 8.39 3.72 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 0.84 0.00 0.00 0.93 0.00 0.00 137 G 7.64 3.96 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 0.00 0.00 0.00 138 Y 8.41 4.35 0.00 2.99 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 0.00 139 R 9.24 4.29 0.00 1.83 2.01 0.00 3.32 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 140 E 7.73 4.86 0.00 2.02 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 2.22 2.28 0.00 141 I 8.27 4.94 1.74 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.36 0.82 0.00 0.00 142 R 9.14 4.53 0.00 1.70 1.73 0.00 3.13 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 143 V 7.96 4.48 1.92 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 0.26 0.00 0.00 0.86 0.00 0.00 144 F 8.64 4.86 0.00 2.84 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 0.00 145 F 9.03 5.09 0.00 2.86 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 0.00 146 S 9.21 4.88 0.00 3.73 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 0.00 147 I 8.46 4.92 1.91 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 1.32 0.73 0.93 0.00 0.00 148 D 9.20 4.78 0.00 2.77 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 0.00 149 A 8.08 4.59 1.19 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 0.00 0.00 150 D 8.31 4.63 0.00 2.65 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 0.00 151 L 7.13 4.95 0.00 1.61 1.48 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.84 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 1.25 0.00 0.00 153 D 8.63 4.44 0.00 2.71 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 0.00 154 G 8.07 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 0.00 155 Q 8.23 4.05 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 156 K 8.30 3.95 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.66 7.81 157 E 8.54 3.95 0.00 2.13 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 2.32 2.45 0.00 158 E 8.03 3.93 0.00 2.20 2.13 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 2.32 2.22 0.00 159 L 7.58 4.08 0.00 1.78 1.64 0.89 0.90 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 0.00 160 I 7.65 3.63 1.90 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 1.13 0.48 0.73 0.00 0.00 161 R 7.85 3.58 0.00 1.91 1.81 0.00 3.08 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 *163 A 7.84 4.31 1.18 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 0.00 164 Q 7.65 3.23 0.00 1.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.73 0.00 0.00 0.00 0.00 0.00 1.34 1.96 0.00 165 K 7.71 3.59 0.00 1.40 1.04 0.00 1.48 0.00 0.00 1.13 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.46 1.05 7.81 166 Y 6.86 4.60 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.75 4.45 0.00 3.98 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 0.00 168 P 0.00 4.30 0.00 2.17 2.11 0.00 3.66 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 169 V 7.74 3.59 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.89 0.00 0.00 170 Y 8.12 3.98 0.00 3.20 3.14 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 0.00 171 N 8.45 4.46 0.00 2.95 2.89 0.00 0.00 7.11 6.33 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 0.00 172 T 7.76 3.95 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 1.21 0.00 0.00 173 V 7.60 3.64 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 0.69 0.00 0.00 0.93 0.00 0.00 174 A 7.84 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.04 4.58 0.00 1.85 1.69 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.38 7.81 176 P 0.00 4.41 0.00 2.17 2.06 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 177 V 8.13 4.37 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 0.91 0.00 0.00 0.94 0.00 0.00 178 P 0.00 4.34 0.00 2.22 2.04 0.00 3.77 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 2.00 1.96 0.00 179 V 8.18 4.17 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 0.85 0.00 0.00 0.98 0.00 0.00 180 A 8.56 4.41 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 V 8.32 4.37 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 0.87 0.00 0.00 0.93 0.00 0.00 182 L 8.23 4.85 0.00 1.60 1.50 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.29 4.08 0.00 1.57 1.55 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.60 4.41 0.00 2.67 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 *185 R 8.39 4.15 0.00 1.62 1.73 0.00 3.28 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.