NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0138 8.3549 108.0326 46.3413 0.0000 172.2887 3 K 4.6420 9.6204 119.7851 54.4981 35.3941 174.5083 4 R 5.2879 10.3487 121.9770 55.0889 32.4968 175.1662 5 I 5.0401 9.3452 126.0733 59.3933 40.2107 175.3248 6 G 4.5600 9.3979 113.5806 44.4477 0.0000 172.0860 7 L 5.3124 9.0153 121.9918 52.6819 44.6164 176.1283 8 F 5.0964 9.7578 127.4057 56.5163 41.1223 174.5936 9 G 4.4808 8.9896 113.2175 44.8956 0.0000 171.1130 10 G 3.1763 7.0269 108.7927 46.1037 0.0000 174.3421 11 T 3.7677 7.8842 116.7699 64.5089 69.2643 175.3844 12 F 3.7998 7.1456 117.9021 58.6739 36.3563 174.6298 13 D 5.1859 7.6357 120.8142 51.8068 41.3401 172.0015 14 P 5.1697 0.0000 0.0000 59.7481 34.0497 176.4227 15 V 3.9758 8.1557 118.5738 62.0759 32.1399 175.0278 16 H 5.0633 8.4870 116.4407 54.0217 31.6550 173.5936 17 I 3.8828 8.4924 119.5212 64.7310 37.4354 178.2330 18 G 3.8316 8.5453 109.0601 49.2000 0.0000 175.4482 19 H 4.5720 7.7621 112.6257 57.0573 28.5754 177.2803 *21 R 4.3317 7.9908 120.9471 56.4866 31.8836 178.1205 22 S 4.2214 8.3283 111.7153 60.9830 63.1130 176.1917 23 A 4.0306 8.2385 121.2826 55.1129 18.4354 179.4115 24 V 3.7672 7.8079 116.1449 66.2123 31.5042 179.2507 25 E 3.8165 8.1782 115.6280 56.8871 29.1727 178.7482 *27 A 4.2417 8.0126 124.3798 52.3978 20.9392 179.9868 28 E 3.9268 8.2932 115.2628 59.6570 29.8612 178.9556 29 Q 3.8395 8.2744 118.6803 58.9971 29.0008 177.1876 30 F 4.1764 8.3595 112.4224 56.1386 39.5403 175.3272 31 A 3.7745 7.5895 122.9437 53.0454 16.3495 177.9627 32 L 4.3751 7.9094 120.2846 55.0234 42.7627 178.1693 33 D 4.6292 9.0076 122.8421 56.9572 41.7472 176.4870 34 E 4.8798 7.8460 117.2871 54.9212 33.4822 173.7519 35 L 5.1351 9.5597 129.0495 53.4568 45.0339 175.0830 36 R 4.9142 9.1296 127.0904 55.1785 31.8534 175.8833 37 L 4.7055 9.0019 125.1121 54.1189 43.5070 175.6958 38 L 4.9849 9.1777 126.6811 52.4227 43.5358 173.0570 39 P 5.1001 0.0000 0.0000 62.5645 31.8381 176.1564 40 N 4.8238 8.9264 122.7149 52.7741 39.3944 175.0225 41 A 4.4136 8.3675 125.1439 51.6142 19.9185 177.0082 42 R 4.5921 7.8640 115.5717 53.7722 32.4407 173.1987 43 P 4.3135 0.0000 0.0000 62.1168 32.0541 175.4320 44 P 4.1555 0.0000 0.0000 66.1613 31.3104 177.9601 45 H 4.4606 7.9817 110.7673 57.0742 28.6711 175.7540 46 R 4.4087 7.6863 118.6812 56.1367 30.5322 176.3136 47 E 4.3278 7.6037 118.1007 55.5786 30.5164 176.6599 48 T 4.0602 8.2339 118.1192 62.6636 69.1921 172.5597 49 P 4.2641 0.0000 0.0000 64.5861 31.6656 176.6282 50 Q 3.6080 8.9100 119.8182 56.0149 26.2759 173.5764 51 V 4.0397 7.7208 117.8642 60.2971 32.5992 175.8042 52 S 4.4778 8.2139 122.5042 57.2466 65.4683 174.5819 53 A 3.9635 8.4393 123.3936 55.3608 18.0326 179.7114 54 A 3.9070 7.9561 118.6864 55.4627 18.2210 179.7368 55 Q 3.9826 7.6166 115.7101 58.9417 28.8708 178.6075 56 R 4.0684 7.7759 118.5607 59.0307 30.3223 178.5067 57 L 4.0547 8.1421 120.1008 57.8507 42.0093 179.7859 58 A 4.5074 7.6244 119.6691 52.0454 18.2719 179.2371 *60 V 3.6947 7.7971 122.5397 64.4070 33.1025 177.5396 61 E 3.9263 8.0940 119.3259 59.3599 29.5313 179.4969 62 R 3.9102 7.9535 117.0330 59.0467 30.2861 178.0440 63 A 4.0726 7.8116 119.6211 54.6789 18.6982 178.3600 64 V 4.0052 7.6599 107.1179 61.2838 32.3952 175.9467 65 A 4.1780 7.5184 124.2360 53.4757 18.3646 178.0449 66 G 3.8417 8.9905 110.9269 45.3719 0.0000 173.0003 67 V 4.2360 7.4591 119.9891 60.3335 32.4960 175.3497 68 E 4.0500 8.4531 125.7922 57.5952 30.2175 178.3414 69 R 4.2329 8.7962 118.5347 56.1773 28.8088 175.3428 70 L 5.2445 7.4221 118.1415 53.1837 43.5323 175.8522 71 T 4.8942 8.8350 113.7715 59.8084 72.9578 172.6283 72 V 4.8086 8.2589 119.7073 59.9096 34.1256 174.7423 73 D 4.8398 8.9888 124.0585 51.7524 42.8103 173.8056 74 P 4.6816 0.0000 0.0000 62.8340 31.2328 177.1763 75 R 4.1528 8.1775 119.7727 59.4395 28.6407 178.5396 76 E 4.0002 8.1139 118.4130 59.0654 29.2664 179.1163 77 L 4.1412 7.7582 118.2615 57.4014 41.7048 178.7368 78 Q 4.1939 7.7618 115.4068 56.3223 28.5319 176.2883 79 R 4.3437 6.7780 118.5018 54.6167 31.5645 176.3887 80 D 4.4576 8.4157 118.6423 55.8941 39.7180 176.0977 81 K 4.5386 7.3924 115.9821 53.8626 36.4768 173.6407 82 P 4.2940 0.0000 0.0000 63.2423 31.6548 176.0069 83 S 4.6212 7.9633 114.7232 56.6883 66.5785 173.6416 84 Y 4.5364 8.0360 119.3827 57.6845 38.9144 176.9089 85 T 3.8624 8.7231 120.4473 67.1076 68.4570 176.5073 86 I 3.8103 7.9942 119.7299 64.2815 37.8827 177.5517 87 D 4.3776 8.2391 119.4926 57.6035 40.6350 178.7633 88 T 3.8451 7.9052 115.7645 66.4967 68.4291 176.1407 89 L 3.9611 8.3081 122.5186 58.4193 42.1826 178.9760 90 E 3.7453 8.3937 118.5972 59.1980 29.0853 179.3018 91 S 4.0721 8.1012 112.8352 61.2338 62.7744 176.1911 92 V 3.7029 7.9528 120.9648 66.1768 31.3867 178.0014 93 R 3.8934 8.2665 118.3709 59.3392 29.5988 178.1827 94 A 4.0919 7.9835 119.6394 54.2071 18.4075 177.7508 95 E 4.3627 7.9330 114.6927 56.3186 30.2705 175.9939 96 L 4.5369 7.3700 118.9797 52.7732 43.7860 176.1256 97 A 4.2296 9.0633 123.3004 51.5912 19.0431 178.7621 98 A 3.9960 8.6811 123.7008 55.1088 18.4375 178.5182 99 D 4.7227 7.8890 111.9602 53.4260 40.1544 176.1890 100 D 4.6867 8.0216 121.4429 54.7918 42.3481 175.1286 101 Q 4.5735 9.2378 122.3155 54.3803 30.8038 174.2059 102 L 5.1272 8.1512 126.4356 53.5330 44.7362 175.2621 103 F 5.2744 9.0284 125.3685 54.5540 43.0760 173.0333 *105 L 4.6436 8.3706 120.3862 55.6758 42.7298 176.9582 106 I 4.9001 8.7355 118.7438 59.1209 41.5092 175.1974 107 G 4.1408 8.8419 112.5116 44.9076 0.0000 174.3649 108 W 4.4295 8.9183 130.4075 60.8282 30.4655 178.2526 109 D 4.3146 8.4361 116.4207 57.4311 40.6335 178.2937 110 A 4.2708 8.0701 120.7752 55.0934 18.4122 179.2907 111 F 3.8951 8.5301 119.6562 61.4925 39.2682 177.0143 112 C 3.7039 7.8825 115.1582 61.1832 27.9516 175.1072 113 G 3.8774 7.1471 106.0152 43.9236 0.0000 174.6062 114 L 2.4400 7.0312 125.2011 57.0832 41.8782 177.5799 115 P 2.0000 0.0000 0.0000 63.9079 31.1032 176.9589 116 T 4.1896 7.3001 107.2993 62.0531 69.5252 175.5381 117 W 4.4073 8.0497 122.8836 56.4140 29.6031 175.3900 118 H 3.9678 8.8570 121.3809 57.4068 29.5152 175.3429 119 R 3.8064 8.6546 127.2525 56.2945 27.9444 178.2883 120 W 4.4070 8.7059 116.7576 60.2264 27.6975 176.5484 121 E 3.3910 6.9802 116.6309 57.6605 29.1868 177.8146 122 A 4.2884 7.8666 120.3488 52.4245 19.2658 178.9165 123 L 4.0021 7.6682 118.1908 57.9035 42.0324 179.2471 124 L 4.3748 7.7697 116.4337 56.4772 41.2899 178.7519 125 D 4.3221 7.7049 119.2782 56.5549 40.8198 176.3262 126 H 5.0117 7.7182 113.7202 55.6743 30.7378 173.3970 127 C 4.5350 7.5916 112.2359 58.0720 32.4541 172.0516 128 H 5.1762 8.7660 116.0545 54.3833 31.1858 174.3772 129 I 4.6580 8.5506 122.2279 59.6281 39.6383 174.6833 130 V 4.4990 8.3083 127.1114 61.2093 33.5609 174.2070 131 V 4.4953 8.1803 129.1348 61.2660 33.2727 174.3245 132 L 4.7479 9.1359 131.6578 54.6854 43.1710 175.1588 133 Q 5.1411 9.2268 126.4594 54.2951 30.9548 175.0714 134 R 4.0855 7.9776 117.6201 52.1517 33.0817 174.1232 135 P 4.4473 0.0000 0.0000 65.5116 31.3850 176.2011 136 D 4.6380 7.1901 116.9472 52.0167 39.7974 174.6312 137 A 4.3530 7.6787 123.4933 51.1532 21.6381 176.3247 138 D 4.6461 8.7596 121.5998 51.7154 39.2835 177.1862 139 S 3.8204 8.0447 122.7390 57.0926 59.6881 174.1137 140 E 4.8339 7.8135 115.3529 54.5979 30.3451 174.3791 141 P 4.5009 0.0000 0.0000 62.1959 32.5411 175.2731 142 P 4.4284 0.0000 0.0000 62.3200 32.2479 176.7948 143 E 3.9429 8.8477 120.2057 59.6605 29.1274 179.2137 144 S 4.1489 8.0484 112.8071 60.6624 63.0725 175.3320 145 L 4.5407 7.7347 120.4905 54.2095 42.0640 177.9079 146 R 3.9512 7.8878 120.4567 59.6947 29.9374 177.7536 147 D 4.2935 8.0806 116.9272 57.2149 41.3938 177.3958 148 L 3.9934 8.1304 120.4054 58.5360 42.0553 178.8745 149 L 4.2457 8.2876 118.4005 57.8390 41.3285 179.4367 150 A 4.0637 7.8939 119.7513 54.9071 18.3906 179.0288 151 A 4.2718 8.3178 118.5810 53.8157 19.1831 178.1285 152 R 4.7268 8.5851 114.5279 55.8479 32.8380 176.4904 153 S 5.5393 8.1930 113.9376 57.8683 63.9962 174.1838 154 V 4.6083 8.2235 113.4450 59.5832 35.0290 175.5623 155 A 4.1926 9.1150 126.6326 54.8540 18.4897 177.5260 156 D 5.0238 7.6360 112.9804 50.5278 43.0411 174.4470 157 P 4.2954 0.0000 0.0000 65.9929 31.3024 179.0464 158 Q 3.9481 8.0073 115.2714 58.5124 28.6934 177.0912 159 A 4.2377 7.9421 119.1689 52.9056 18.8574 177.5289 160 L 4.0946 7.7931 117.4106 54.3548 42.0038 176.5410 161 K 4.4936 9.1313 125.1908 55.4415 34.8521 176.8587 162 G 3.9198 8.7092 113.3281 44.0760 0.0000 171.1944 163 P 4.4951 0.0000 0.0000 64.2568 31.6753 176.6424 164 G 3.4670 7.5058 102.7916 45.7687 0.0000 172.0578 165 G 4.3302 8.9555 107.8842 44.7126 0.0000 173.4316 166 Q 5.0427 8.0463 117.2546 54.1081 32.9254 174.3491 167 I 4.9751 8.6141 121.1448 60.0428 40.7137 174.8250 168 T 5.1318 8.5033 119.3428 60.8182 71.5263 172.0303 169 F 5.3571 8.9947 122.4195 55.7791 41.9449 175.3168 170 V 4.7623 8.9976 114.5172 59.4324 35.9804 174.1303 171 W 5.3242 8.8386 132.2245 56.1355 32.4040 175.0263 172 Q 4.2867 7.5384 123.4293 54.8976 33.2628 174.1170 173 T 4.3494 8.0219 119.3706 60.2594 68.3745 171.6025 174 P 4.3183 0.0000 0.0000 62.0539 32.1605 177.3667 175 L 4.0044 8.3752 120.9040 55.0875 42.3205 178.4140 176 A 4.3701 8.2594 126.1357 51.5786 16.1934 176.3912 177 V 4.4485 7.3563 119.4638 59.5751 35.3602 175.3512 178 S 4.6785 8.1249 119.7577 55.6611 67.3454 175.0037 179 A 3.9958 8.6103 125.2471 55.6570 18.2130 180.3412 180 T 3.7833 7.8258 113.7907 66.7646 68.6091 176.3638 181 Q 3.9404 8.1949 121.4746 59.2949 29.0841 178.4942 182 I 3.6464 7.8208 120.7427 64.4860 37.0861 178.6618 183 R 3.6996 8.2724 119.0813 58.9901 29.7159 179.0086 184 A 3.9837 8.0210 120.6103 55.0909 18.3142 179.6557 185 L 3.9279 7.8939 117.4607 58.0637 41.6884 179.8346 186 L 4.1038 8.1265 119.0177 57.7166 41.3016 179.7778 187 G 3.6889 8.2410 104.8288 47.2478 0.0000 174.5359 188 A 4.5598 7.5527 120.1288 51.2057 18.9500 177.5134 189 G 3.8473 7.9066 105.7329 46.7610 0.0000 174.4059 190 R 4.4881 7.8813 117.9627 54.1760 31.7079 176.2569 191 S 4.3074 8.4005 114.9318 58.4733 63.1613 174.2944 192 V 4.3039 8.1494 119.2186 60.9030 31.9020 175.4116 193 R 3.7950 7.3448 120.1251 57.9162 30.0465 176.7778 194 F 4.1759 8.3361 121.0264 58.0599 36.7151 175.3449 195 L 4.6542 8.0452 120.5884 54.7359 43.0988 176.4467 196 V 4.9394 7.2853 109.8020 57.7262 35.7685 173.8916 197 P 4.4436 0.0000 0.0000 62.6462 33.0222 177.3122 198 D 4.3012 8.8014 120.6444 57.8186 40.8769 179.3072 199 A 4.0009 7.9628 120.5021 55.0863 18.3093 179.7393 200 V 3.5891 7.6189 116.4705 65.7977 31.6496 177.7976 201 L 3.9406 8.1002 120.3853 58.4273 41.9046 178.7374 202 N 4.3053 8.4456 116.6152 56.4531 38.4438 176.8556 203 Y 3.9676 8.0884 120.7950 60.6976 38.8653 177.8897 204 I 3.8985 8.2799 121.1017 64.5961 37.3120 178.3537 205 E 3.8555 8.4803 119.2598 59.2393 29.1161 179.2054 206 A 3.9348 8.1529 120.2582 54.5885 18.4436 178.4022 207 H 4.4918 7.7692 111.5806 54.4310 30.3901 174.9611 208 H 3.9663 7.3549 116.6502 56.7400 26.6370 174.2475 209 L 4.3161 8.1826 120.2606 54.8680 43.2600 176.9223 210 Y 3.7173 8.4956 115.2158 59.1409 35.3334 170.3148 211 R 4.2139 7.4218 122.5280 56.9132 31.6829 175.4534 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 G 8.35 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 3 K 9.62 4.64 0.00 1.76 1.92 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 4 R 10.35 5.29 0.00 1.78 2.01 0.00 3.17 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 5 I 9.35 5.04 1.96 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 1.22 0.83 0.97 0.00 0.00 6 G 9.40 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.02 5.31 0.00 1.55 1.66 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.76 5.10 0.00 2.98 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 9 G 8.99 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.03 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 0.00 0.00 0.00 11 T 7.88 3.77 4.08 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 0.00 0.00 1.16 0.00 0.00 12 F 7.15 3.80 0.00 3.20 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 13 D 7.64 5.19 0.00 2.62 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 14 P 0.00 5.17 0.00 2.28 2.19 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.67 0.00 15 V 8.16 3.98 1.86 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 0.68 0.00 0.00 0.75 0.00 0.00 16 H 8.49 5.06 0.00 3.53 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.49 3.88 2.00 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 1.35 1.03 0.96 0.00 0.00 18 G 8.55 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.76 4.57 0.00 3.55 3.51 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 R 7.99 4.33 0.00 2.06 2.04 0.00 3.32 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 S 8.33 4.22 0.00 4.06 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 23 A 8.24 4.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.81 3.77 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 1.07 0.00 0.00 0.95 0.00 0.00 25 E 8.18 3.82 0.00 2.23 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 2.34 2.44 0.00 *27 A 8.01 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.29 3.93 0.00 2.23 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 2.33 2.42 0.00 29 Q 8.27 3.84 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.02 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 30 F 8.36 4.18 0.00 2.74 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 31 A 7.59 3.77 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 32 L 7.91 4.38 0.00 1.64 1.76 0.84 0.78 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 33 D 9.01 4.63 0.00 2.67 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 34 E 7.85 4.88 0.00 2.03 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 2.31 2.31 0.00 35 L 9.56 5.14 0.00 1.69 1.52 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.15 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 0.00 0.00 0.00 114 L 7.03 2.44 0.00 1.01 0.91 -0.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 2.00 0.00 1.42 0.94 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.00 116 T 7.30 4.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 117 W 8.05 4.41 0.00 3.38 3.25 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 0.00 118 H 8.86 3.97 0.00 2.36 2.91 0.00 6.08 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 0.00 119 R 8.65 3.81 0.00 2.02 1.90 0.00 3.17 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.00 120 W 8.71 4.41 0.00 3.55 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 0.00 121 E 6.98 3.39 0.00 1.42 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 122 A 7.87 4.29 1.28 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 0.00 0.00 123 L 7.67 4.00 0.00 1.79 1.83 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.77 4.37 0.00 1.63 1.67 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.70 4.32 0.00 2.47 2.43 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 0.00 126 H 7.72 5.01 0.00 3.03 3.27 0.00 5.69 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 0.00 127 C 7.59 4.53 0.00 3.06 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 0.00 128 H 8.77 5.18 0.00 2.92 3.28 0.00 5.57 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 0.00 129 I 8.55 4.66 1.82 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 1.15 0.74 0.81 0.00 0.00 130 V 8.31 4.50 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 1.05 0.00 0.00 0.76 0.00 0.00 131 V 8.18 4.50 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 1.13 0.00 0.00 -0.26 0.00 0.00 132 L 9.14 4.75 0.00 1.76 1.58 0.85 0.36 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 0.00 133 Q 9.23 5.14 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.42 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 134 R 7.98 4.09 0.00 1.51 1.70 0.00 3.17 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 135 P 0.00 4.45 0.00 2.07 2.33 0.00 3.37 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.38 0.00 136 D 7.19 4.64 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 4.35 1.14 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 0.00 0.00 138 D 8.76 4.65 0.00 2.89 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 0.00 139 S 8.04 3.82 0.00 3.55 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 0.00 140 E 7.81 4.83 0.00 2.15 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 2.38 2.47 0.00 141 P 0.00 4.50 0.00 2.29 2.36 0.00 3.97 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 142 P 0.00 4.43 0.00 2.11 2.12 0.00 3.50 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 1.84 1.88 0.00 143 E 8.85 3.94 0.00 2.09 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 2.38 2.44 0.00 144 S 8.05 4.15 0.00 3.80 3.86 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 0.00 145 L 7.73 4.54 0.00 1.71 1.68 -0.01 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.89 3.95 0.00 1.92 2.06 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 147 D 8.08 4.29 0.00 2.88 2.71 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 0.00 148 L 8.13 3.99 0.00 2.00 1.99 0.93 0.89 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 0.00 149 L 8.29 4.25 0.00 2.04 1.90 1.23 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.89 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.32 4.27 1.35 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 0.00 152 R 8.59 4.73 0.00 1.72 2.07 0.00 3.47 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 153 S 8.19 5.54 0.00 4.14 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 0.00 154 V 8.22 4.61 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 0.77 0.00 0.00 1.02 0.00 0.00 155 A 9.11 4.19 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 0.00 156 D 7.64 5.02 0.00 2.73 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 0.00 157 P 0.00 4.30 0.00 1.58 0.91 0.00 3.47 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 1.73 2.12 0.00 158 Q 8.01 3.95 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 159 A 7.94 4.24 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 0.00 160 L 7.79 4.09 0.00 1.91 1.42 1.36 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 161 K 9.13 4.49 0.00 1.66 1.66 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 162 G 8.71 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 0.00 0.00 0.00 163 P 0.00 4.50 0.00 2.12 2.15 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 164 G 7.51 3.47 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 0.00 165 G 8.96 4.33 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 0.00 166 Q 8.05 5.04 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 167 I 8.61 4.98 1.88 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 1.10 0.89 0.50 0.00 0.00 168 T 8.50 5.13 4.31 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 1.37 0.00 0.00 169 F 8.99 5.36 0.00 2.95 3.03 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 0.00 170 V 9.00 4.76 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 0.98 0.00 0.00 1.08 0.00 0.00 171 W 8.84 5.32 0.00 3.39 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 0.00 172 Q 7.54 4.29 0.00 1.79 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 173 T 8.02 4.35 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 1.21 0.00 0.00 174 P 0.00 4.32 0.00 2.16 2.01 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 175 L 8.38 4.00 0.00 1.67 1.65 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 176 A 8.26 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 177 V 7.36 4.45 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 0.74 0.00 0.00 0.90 0.00 0.00 178 S 8.12 4.68 0.00 4.01 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 0.00 179 A 8.61 4.00 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 0.00 180 T 7.83 3.78 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 0.00 181 Q 8.19 3.94 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 182 I 7.82 3.65 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.74 0.00 0.00 183 R 8.27 3.70 0.00 1.91 1.99 0.00 3.33 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.69 0.00 184 A 8.02 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 7.89 3.93 0.00 1.86 1.72 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.13 4.10 0.00 1.86 1.91 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.24 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 0.00 188 A 7.55 4.56 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 0.00 189 G 7.91 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 0.00 190 R 7.88 4.49 0.00 1.93 1.86 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 191 S 8.40 4.31 0.00 3.82 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 0.00 192 V 8.15 4.30 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 0.67 0.00 0.00 0.90 0.00 0.00 193 R 7.34 3.79 0.00 1.56 1.56 0.00 2.94 0.00 0.00 2.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 194 F 8.34 4.18 0.00 3.31 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 0.00 195 L 8.05 4.65 0.00 1.88 1.66 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.29 4.94 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 0.76 0.00 0.00 0.98 0.00 0.00 197 P 0.00 4.44 0.00 2.16 1.98 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 198 D 8.80 4.30 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 0.00 199 A 7.96 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 7.62 3.59 2.26 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 1.20 0.00 0.00 0.90 0.00 0.00 201 L 8.10 3.94 0.00 1.77 1.84 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 202 N 8.45 4.31 0.00 2.93 2.87 0.00 0.00 6.74 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 0.00 203 Y 8.09 3.97 0.00 3.19 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 I 8.28 3.90 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.79 1.05 0.00 0.00 205 E 8.48 3.86 0.00 1.95 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 2.30 2.61 0.00 206 A 8.15 3.93 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 0.00 207 H 7.77 4.49 0.00 2.95 3.19 0.00 6.00 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 H 7.35 3.97 0.00 3.19 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.18 4.32 0.00 1.81 1.18 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 8.50 3.72 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 7.42 4.21 0.00 2.06 1.99 0.00 3.41 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.