NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 G 4.3712 8.4381 107.8343 46.3854 0.0000 173.3456 18 S 4.7160 8.2970 121.9517 55.3847 64.5695 173.8199 19 L 3.7706 9.1453 123.9327 57.6099 42.8339 178.4433 20 Y 4.7610 7.4500 114.4871 57.4820 38.2215 175.7370 21 S 4.3773 7.9193 115.1612 57.5365 64.1509 173.8726 22 D 4.4659 8.4775 120.8017 53.7833 40.5522 175.9458 23 E 3.8663 9.0135 127.8899 60.0050 29.3744 179.3450 24 R 4.2067 8.0893 115.9245 58.8812 30.0774 178.4098 25 D 4.8076 7.4365 120.0236 55.8544 40.9866 177.6853 26 K 4.5571 8.2538 122.8270 51.1987 32.3767 176.3414 27 P 4.5247 0.0000 0.0000 64.6566 32.0547 178.1172 28 L 4.6918 7.2503 117.7075 51.9989 43.4184 180.1082 29 L 4.6794 8.1373 123.4889 52.6781 42.8494 176.9963 30 S 4.2737 8.4502 117.1284 58.0356 63.5611 173.7686 31 P 4.2282 0.0000 0.0000 66.2712 30.8677 179.2142 32 T 3.8893 7.8252 113.5834 66.4783 68.4639 176.4858 33 A 3.9492 7.7586 122.2736 55.3679 18.3120 179.3560 34 Q 3.9364 8.4761 118.3048 59.2411 29.0552 178.6236 35 K 3.9590 7.8474 120.7359 59.5001 32.3997 179.0690 36 K 3.7990 7.8276 118.9619 59.0004 31.8804 179.0753 37 F 4.2791 8.5288 121.3833 61.6550 39.3361 177.1584 38 E 4.1836 8.6894 119.6864 58.6545 29.1498 179.1096 39 E 3.8865 7.9042 119.6800 59.2086 29.5875 178.4723 40 Y 4.2541 7.4508 116.4000 61.1726 37.6278 178.0898 41 Q 3.9127 7.9584 119.0060 59.3657 28.8752 179.1812 42 N 4.4577 8.5161 117.5330 56.1500 38.4747 177.7170 43 K 4.0568 8.1812 120.0837 59.2534 32.0643 179.3879 44 L 4.0459 8.2534 119.1675 57.8338 41.5610 179.2571 45 A 4.0298 8.3476 121.0334 55.3854 18.2201 179.2273 46 N 4.2463 8.3314 115.4285 56.5171 39.0110 176.7659 47 L 4.0097 8.2140 121.8772 58.3334 42.2910 178.7765 48 S 3.7761 8.5264 113.0869 61.1778 62.1784 176.0097 49 K 3.8245 8.2169 122.2250 59.7494 32.1285 178.8564 50 I 3.6930 8.0203 120.2644 64.2806 36.7377 178.5709 51 I 4.1098 7.4349 121.1630 63.9439 36.7943 178.4544 52 R 3.8830 7.8059 118.7819 59.3276 29.6922 179.0334 53 E 4.0115 8.1911 117.2092 58.6214 29.6320 178.1890 54 N 4.8447 7.6658 114.3516 53.1366 38.9048 176.4815 55 E 4.9367 7.2963 125.5906 58.7814 29.3929 179.0502 56 G 3.6792 8.0739 106.5283 47.5277 0.0000 173.6354 57 N 4.9545 8.4895 115.7188 52.7125 39.4881 173.6323 58 E 4.6898 7.6522 118.9553 54.4713 31.7067 177.3761 59 V 3.6324 8.5319 123.4582 65.7439 32.4303 176.7288 60 S 4.7744 7.5778 114.3853 55.1945 63.5169 172.5089 61 P 4.2694 0.0000 0.0000 65.3173 31.3928 178.2656 62 W 4.3348 8.1449 117.4270 59.8027 29.0510 178.4145 63 Q 4.1453 8.3431 117.6688 59.0445 28.1141 178.5697 64 E 4.0364 8.4234 119.7638 58.9715 29.4330 179.1650 65 W 4.3851 8.4452 128.4163 60.6500 30.8442 177.8217 66 E 3.8584 8.6823 118.7597 59.5760 29.0167 179.1689 67 N 4.4944 8.6491 116.8719 56.3134 38.6352 177.7329 68 G 3.6360 8.3852 107.2755 47.8012 0.0000 175.7441 69 L 3.8631 7.8968 121.4227 57.4488 41.4726 179.8881 70 R 3.9229 8.1283 118.1438 59.1993 30.0138 178.7814 71 Q 3.8941 7.9052 118.8497 59.2860 28.8271 178.4759 72 I 3.7141 7.5680 119.5937 64.5566 37.2114 177.5397 73 Y 4.2452 7.9561 119.4003 60.3825 38.8975 177.3044 74 K 3.6902 8.0916 120.7052 59.2768 32.1862 179.5223 75 E 3.6968 7.7610 116.4398 56.6982 29.2385 179.0701 *77 I 3.8032 7.7106 120.9577 61.6498 39.3338 177.6560 78 Y 4.4429 7.7566 117.7929 61.4209 37.4794 178.6462 79 D 4.4818 8.5011 119.5243 57.3885 40.9718 178.7619 80 A 3.9325 7.8710 122.1296 54.3676 18.3801 179.3712 81 F 3.7498 8.0668 116.3087 60.7822 39.0399 177.4531 82 D 4.3959 8.1824 117.9843 57.6475 40.4981 179.0417 83 A 4.1158 8.1375 119.7191 54.6683 18.4916 178.7420 84 L 4.2950 7.8495 115.0307 54.1532 42.0719 177.0903 85 G 3.8490 7.8440 107.0161 46.5474 0.0000 173.5568 86 V 4.4578 7.6976 118.8290 60.4851 34.1222 175.6830 87 E 4.3579 8.4176 134.3587 55.6264 28.8819 174.2655 *89 P 4.1889 0.0000 0.0000 61.6929 32.5224 176.7738 90 K 3.9052 8.5636 120.9520 59.0915 32.8603 176.6473 91 D 4.4237 7.7122 118.9204 51.8657 38.7796 175.1499 *93 E 4.1032 8.1696 124.1695 56.3019 31.8595 175.0043 94 V 4.5791 7.7551 120.2019 61.5475 34.8871 173.7845 95 H 5.0165 8.4438 124.3831 53.8078 32.7013 172.7337 96 F 5.5393 9.3751 121.1444 56.4770 40.2271 174.7512 97 A 4.8018 9.5072 127.3218 52.2562 20.5352 177.3191 98 G 4.0240 10.6060 107.4905 46.4664 0.0000 173.4228 99 S 4.3018 8.0837 108.6464 59.2787 66.2177 173.8677 *109 S 4.1841 7.6772 115.2834 58.5709 64.0684 170.8782 110 D 5.0369 7.8208 118.4492 52.1631 43.9498 176.3996 111 L 3.9762 8.4662 120.3768 56.6222 43.0456 178.8949 112 D 4.2078 7.6128 118.0308 55.1527 39.5193 172.5748 113 A 5.2454 8.4930 126.0977 52.7875 20.0328 176.8707 114 F 5.3889 9.1220 116.4888 55.0215 41.7760 173.8344 115 V 4.4953 8.8371 121.7215 61.2926 33.4347 174.1269 116 I 4.9738 8.5061 129.2729 59.8613 38.9772 175.7749 117 V 4.3435 8.4429 120.3641 59.6112 34.2013 177.3814 118 K 3.9410 8.7337 123.1527 58.8363 32.7531 176.8227 119 N 5.1581 7.8457 114.8094 50.9232 41.8259 175.2397 120 D 4.5172 8.7934 123.1770 58.0978 39.6998 179.6536 121 E 4.0890 8.2247 118.4545 61.0785 29.6788 182.8283 122 D 4.8570 8.1010 117.6598 57.2389 40.8018 178.7113 123 I 3.7874 7.7948 122.8450 65.0516 36.9103 178.7722 124 K 3.9682 7.3028 123.6035 59.7248 31.4729 180.1689 125 K 4.4514 7.9240 117.6709 58.8697 33.5051 178.6929 126 V 3.9741 7.9067 119.3080 65.2535 31.6593 177.6774 127 K 3.9693 8.6473 119.8151 59.4000 31.9101 176.9956 128 P 4.2736 0.0000 0.0000 65.2153 31.1236 178.8086 129 V 3.1489 7.5701 117.5354 65.8114 31.2227 178.0940 130 F 3.8974 8.0177 116.9120 59.9233 38.8588 177.2640 131 D 4.3219 8.3761 117.9262 57.1629 41.1609 177.7594 132 A 4.0010 8.1199 121.6693 55.5190 18.2574 179.5853 133 L 4.0891 7.9932 117.3675 58.0597 41.6092 179.4472 134 N 4.4253 8.5886 116.7930 56.4960 38.4820 177.1448 135 N 4.3918 8.2440 117.6984 56.3523 38.6694 177.2555 136 L 4.1035 8.0636 121.5164 58.4151 42.1896 178.8188 137 C 4.2726 8.5349 116.9195 62.7279 28.0249 175.9784 138 Q 4.1313 8.3920 119.8068 59.0481 28.3869 178.7055 139 R 4.1549 8.0672 119.5834 59.8698 30.0275 178.5031 140 I 3.9354 8.2673 119.4326 64.2912 36.8510 178.0629 141 F 4.2838 8.2776 120.5096 61.7593 39.3085 176.8581 142 T 3.7415 7.8178 113.5282 66.7595 68.4083 176.2823 143 A 4.2196 8.0006 121.0374 52.6467 18.6549 179.2383 144 S 4.1777 8.0384 112.9227 58.5079 62.6568 176.9545 *154 I 3.6696 8.4534 115.9711 60.3474 38.4414 174.6727 155 N 4.1294 8.3752 121.8281 53.3221 39.1666 173.1858 156 P 4.7748 0.0000 0.0000 62.4270 33.1768 175.2486 157 S 4.9941 9.3153 117.4792 58.5349 63.4932 173.3509 158 R 4.5113 8.9142 122.6134 57.4570 31.6529 176.3461 159 L 4.8353 7.8448 118.1297 53.0247 44.6054 175.2264 160 I 4.9660 7.9829 121.7242 59.6277 41.1395 174.3509 161 G 4.1349 8.5964 115.3269 46.4802 0.0000 172.5857 162 T 5.3259 7.8235 109.7100 59.7339 70.0747 173.9658 163 P 4.2857 0.0000 0.0000 66.0080 31.2170 178.2916 164 D 4.4961 8.2178 116.9152 57.7814 40.5453 178.4946 165 D 4.4180 8.0767 117.6462 57.6278 40.9679 178.9669 166 L 4.1197 7.8252 117.6484 57.6719 42.0003 178.6046 167 F 4.4542 8.4343 120.8587 61.3132 39.2477 178.8965 168 G 3.8113 8.2582 105.1865 44.4622 0.0000 175.5196 *170 L 4.1196 7.9196 121.6972 54.2316 43.6856 179.3549 171 K 3.5894 7.7781 118.4320 59.1943 32.0023 176.9521 172 D 4.4799 8.3812 116.4542 53.0300 40.6540 174.7132 173 G 3.5554 7.4812 111.8821 45.4056 0.0000 173.6477 *175 V 3.6975 7.9961 123.5743 61.4534 32.4899 175.1521 176 A 3.8614 8.5093 129.2788 53.7772 19.1958 176.8384 177 D 4.3074 8.7461 122.7348 55.1836 37.6871 174.5994 178 V 3.5055 7.5458 122.3175 66.1613 31.9309 176.7044 179 E 3.8823 8.1028 116.7559 58.8472 29.6006 177.7940 180 A 4.2669 7.7931 119.2876 54.3350 19.4571 179.2483 181 T 3.9655 8.0442 114.5721 66.5717 68.5039 177.1657 182 A 3.8810 7.9918 119.7377 53.3130 18.3893 179.0751 *184 S 4.4157 8.0423 116.8787 59.6683 65.3642 176.3413 185 I 3.7987 7.6960 121.6637 64.2519 36.5583 178.1508 186 L 4.1373 7.7892 118.9826 57.1239 41.4022 178.7652 187 T 4.6488 7.0035 107.1012 60.5963 69.6339 174.5429 188 S 4.7831 7.4695 116.1483 59.0183 64.3481 173.2636 189 K 4.9160 8.9048 119.5776 53.8522 35.3851 174.0220 190 P 4.4882 0.0000 0.0000 62.9907 31.8383 176.1113 191 V 3.7739 8.5775 123.5991 64.7352 32.1772 176.3274 192 L 4.4689 7.4624 118.2309 52.6777 43.6965 175.0822 193 P 4.4691 0.0000 0.0000 61.2962 30.1838 176.3164 194 R 4.0785 6.3702 116.2432 55.5301 34.7013 175.2964 195 Y 4.9323 8.1626 118.3372 57.6434 41.2661 178.0220 196 E 4.0587 8.4517 119.3915 61.1937 29.7810 184.3239 197 L 4.3526 9.4283 121.5513 57.4482 41.7093 179.6712 198 G 3.7095 8.9130 106.0209 48.0409 0.0000 175.5561 199 E 4.0958 8.4539 120.7626 59.0401 29.4806 179.2083 200 E 3.9270 8.1039 118.7890 59.1663 29.4314 179.0934 201 L 3.9408 8.0939 120.3673 58.2474 42.1321 179.2704 202 R 3.9316 7.9554 117.9252 59.4993 29.9778 178.8162 203 D 4.1896 8.3870 118.8712 57.1517 40.4876 179.2086 204 K 3.6597 7.6569 118.3209 59.2820 32.2472 179.0362 205 I 4.0373 7.9627 120.2876 64.6809 36.8982 178.3350 206 K 3.9286 8.7094 120.8236 60.6567 32.0027 179.6936 207 Q 4.1913 7.8544 119.0886 58.0764 28.1752 178.3154 208 E 4.8932 7.8360 118.8675 54.3896 31.0862 174.3976 209 P 4.3954 0.0000 0.0000 66.2690 31.9245 177.1444 210 S 4.1880 7.7309 118.5845 58.1609 63.0106 175.5562 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 17 G 8.44 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.72 0.00 4.11 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 19 L 9.15 3.77 0.00 1.40 1.28 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.45 4.76 0.00 3.18 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 21 S 7.92 4.38 0.00 3.99 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 22 D 8.48 4.47 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 9.01 3.87 0.00 2.10 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 2.37 2.41 0.00 24 R 8.09 4.21 0.00 1.94 2.00 0.00 3.29 0.00 0.00 3.53 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 25 D 7.44 4.81 0.00 2.86 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 26 K 8.25 4.56 0.00 1.58 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.20 7.81 27 P 0.00 4.52 0.00 2.14 2.20 0.00 3.75 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 1.97 1.95 0.00 28 L 7.25 4.69 0.00 1.53 1.54 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.14 4.68 0.00 1.67 1.52 0.51 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.45 4.27 0.00 3.96 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 31 P 0.00 4.23 0.00 2.17 2.14 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 32 T 7.83 3.89 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 33 A 7.76 3.95 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 34 Q 8.48 3.94 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 35 K 7.85 3.96 0.00 1.81 1.93 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 36 K 7.83 3.80 0.00 1.76 1.71 0.00 1.26 0.00 0.00 1.13 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.51 7.81 37 F 8.53 4.28 0.00 3.13 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 38 E 8.69 4.18 0.00 2.22 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 2.56 2.49 0.00 39 E 7.90 3.89 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 40 Y 7.45 4.25 0.00 3.08 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 41 Q 7.96 3.91 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 42 N 8.52 4.46 0.00 2.69 2.86 0.00 0.00 7.10 6.93 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 43 K 8.18 4.06 0.00 2.01 1.91 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.71 7.81 44 L 8.25 4.05 0.00 1.93 1.86 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.35 4.03 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 46 N 8.33 4.25 0.00 2.93 3.05 0.00 0.00 6.89 5.95 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 47 L 8.21 4.01 0.00 1.97 2.07 1.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.53 3.78 0.00 3.65 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.22 3.82 0.00 1.89 1.96 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 50 I 8.02 3.69 1.97 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 1.52 0.92 0.92 0.00 0.00 51 I 7.43 4.11 1.76 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.85 0.00 0.00 52 R 7.81 3.88 0.00 1.70 1.83 0.00 3.07 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.63 0.00 53 E 8.19 4.01 0.00 1.99 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 2.31 2.31 0.00 54 N 7.67 4.84 0.00 2.96 2.78 0.00 0.00 6.56 7.05 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 55 E 7.30 4.94 0.00 2.16 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 2.25 2.07 0.00 56 G 8.07 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 0.00 0.00 0.00 57 N 8.49 4.95 0.00 2.62 2.79 0.00 0.00 6.85 7.69 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 58 E 7.65 4.69 0.00 1.94 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 2.23 2.20 0.00 59 V 8.53 3.63 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 0.82 0.00 0.00 0.95 0.00 0.00 60 S 7.58 4.77 0.00 3.92 3.80 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 61 P 0.00 4.27 0.00 1.82 1.95 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 62 W 8.14 4.33 0.00 3.49 3.39 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 63 Q 8.34 4.15 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 64 E 8.42 4.04 0.00 2.24 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 2.55 2.49 0.00 65 W 8.45 4.39 0.00 3.31 3.27 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 66 E 8.68 3.86 0.00 2.26 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 2.36 2.73 0.00 67 N 8.65 4.49 0.00 3.08 2.90 0.00 0.00 6.95 8.14 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 68 G 8.39 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.90 3.86 0.00 1.61 1.54 0.05 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.13 3.92 0.00 2.05 1.92 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.00 0.00 71 Q 7.91 3.89 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 72 I 7.57 3.71 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 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3.03 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 83 A 8.14 4.12 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.29 0.00 1.53 1.58 0.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.84 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 86 V 7.70 4.46 2.17 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 1.02 0.00 0.00 0.89 0.00 0.00 87 E 8.42 4.36 0.00 1.97 1.67 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 2.22 2.28 0.00 *89 P 0.00 4.19 0.00 2.08 1.99 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 90 K 8.56 3.91 0.00 1.78 1.87 0.00 1.42 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.44 7.81 91 D 7.71 4.42 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 110 D 7.82 5.04 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 0.00 111 L 8.47 3.98 0.00 1.52 1.69 0.83 0.56 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 0.00 112 D 7.61 4.21 0.00 3.02 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 0.00 113 A 8.49 5.25 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 0.00 114 F 9.12 5.39 0.00 3.08 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 0.00 115 V 8.84 4.50 1.80 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 0.86 0.00 0.00 -0.22 0.00 0.00 116 I 8.51 4.97 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 1.02 0.00 0.00 117 V 8.44 4.34 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 0.88 0.00 0.00 0.99 0.00 0.00 118 K 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0.00 0.00 1.22 0.00 0.00 143 A 8.00 4.22 1.59 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 0.00 0.00 144 S 8.04 4.18 0.00 4.05 3.61 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 *154 I 8.45 3.67 1.80 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 0.45 0.59 0.00 0.00 155 N 8.38 4.13 0.00 2.18 2.64 0.00 0.00 7.15 8.02 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 0.00 156 P 0.00 4.77 0.00 2.09 2.00 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 157 S 9.32 4.99 0.00 3.90 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 0.00 158 R 8.91 4.51 0.00 1.75 2.01 0.00 3.27 0.00 0.00 3.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 159 L 7.84 4.84 0.00 1.61 1.55 0.85 0.57 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 0.00 160 I 7.98 4.97 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.92 0.00 0.00 161 G 8.60 4.13 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 0.00 162 T 7.82 5.33 4.27 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 1.36 0.00 0.00 163 P 0.00 4.29 0.00 2.19 2.17 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 164 D 8.22 4.50 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 8.08 4.42 0.00 2.91 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 0.00 166 L 7.83 4.12 0.00 1.66 1.67 1.01 0.62 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 0.00 167 F 8.43 4.45 0.00 3.07 3.31 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 0.00 168 G 8.26 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 0.00 0.00 0.00 *170 L 7.92 4.12 0.00 1.66 1.62 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 171 K 7.78 3.59 0.00 0.80 1.56 0.00 1.71 0.00 0.00 1.42 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.31 7.81 172 D 8.38 4.48 0.00 2.59 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 0.00 173 G 7.48 3.56 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 *175 V 8.00 3.70 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 0.76 0.00 0.00 0.88 0.00 0.00 176 A 8.51 3.86 1.23 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 0.00 0.00 177 D 8.75 4.31 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 7.55 3.51 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 1.06 0.00 0.00 0.90 0.00 0.00 179 E 8.10 3.88 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 180 A 7.79 4.27 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 0.00 181 T 8.04 3.97 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 1.11 0.00 0.00 182 A 7.99 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *184 S 8.04 4.42 0.00 4.06 4.29 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 0.00 185 I 7.70 3.80 1.96 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.59 0.88 0.00 0.00 186 L 7.79 4.14 0.00 1.66 1.77 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 187 T 7.00 4.65 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 1.23 0.00 0.00 188 S 7.47 4.78 0.00 4.20 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.90 4.92 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.41 7.81 190 P 0.00 4.49 0.00 2.35 2.26 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 191 V 8.58 3.77 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 0.65 0.00 0.00 0.18 0.00 0.00 192 L 7.46 4.47 0.00 1.52 1.49 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 193 P 0.00 4.47 0.00 2.12 2.09 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 194 R 6.37 4.08 0.00 1.52 1.60 0.00 3.02 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 195 Y 8.16 4.93 0.00 3.08 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 0.00 196 E 8.45 4.06 0.00 1.97 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 2.31 1.97 0.00 197 L 9.43 4.35 0.00 1.87 1.78 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 198 G 8.91 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 0.00 0.00 0.00 199 E 8.45 4.10 0.00 2.23 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 0.00 200 E 8.10 3.93 0.00 2.16 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 2.57 0.00 201 L 8.09 3.94 0.00 1.82 1.89 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 202 R 7.96 3.93 0.00 1.94 1.98 0.00 3.47 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.00 0.00 203 D 8.39 4.19 0.00 2.79 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 0.00 204 K 7.66 3.66 0.00 1.69 0.78 0.00 1.52 0.00 0.00 1.14 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.45 7.81 205 I 7.96 4.04 2.07 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 1.65 0.94 0.96 0.00 0.00 206 K 8.71 3.93 0.00 1.88 1.90 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 207 Q 7.85 4.19 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 208 E 7.84 4.89 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 2.44 2.77 0.00 209 P 0.00 4.40 0.00 2.18 2.19 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 210 S 7.73 4.19 0.00 3.60 3.59 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 * Residues marked with a * may have inaccurate shift predictions.