NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.7228 8.2233 119.5593 53.2594 42.5273 177.5956 4 L 4.0085 7.9613 120.3090 57.0016 41.4456 178.5251 5 K 3.9914 8.3613 124.7015 60.4623 32.1394 181.6742 6 K 4.2030 8.0258 124.6947 59.5210 31.7002 180.6316 7 I 4.0107 7.8484 121.3954 64.6642 37.0397 178.4213 8 E 4.0542 8.2202 119.0416 59.3542 29.2192 179.4586 9 S 3.9576 7.8785 112.9298 61.4877 62.3400 175.8820 10 Y 3.8113 7.9758 119.4717 60.7685 37.5868 178.0262 11 L 3.8635 8.3737 120.4191 58.0045 41.7475 179.2100 12 D 4.3063 8.1933 118.7103 57.5821 40.5798 179.3047 13 K 3.8970 7.6606 117.3330 58.9694 32.0137 178.5960 14 L 4.2673 7.8876 116.8367 54.1033 42.0483 176.7296 15 R 3.6975 7.5525 117.0179 57.2724 27.8559 177.3708 16 I 3.9811 7.5627 120.1472 60.0833 36.3981 175.9909 17 K 4.5096 7.9237 124.7785 54.4259 33.8259 178.0189 18 E 3.9210 8.8348 122.9086 60.1737 29.4457 179.5398 19 K 4.1465 8.0424 120.5264 56.9746 32.8689 181.3919 20 D 4.7456 8.1899 119.1575 53.8552 38.8456 182.1161 21 G 3.9270 7.7060 115.5584 46.8843 0.0000 172.7058 22 E 4.2929 8.6434 119.5252 56.8075 29.6927 177.7354 23 E 4.1802 8.0815 120.4360 59.8738 29.6830 179.2704 24 R 3.9054 8.0356 117.7049 59.3230 30.0804 178.2080 25 K 3.9955 8.0875 118.9130 59.5477 32.2450 178.6451 26 I 3.7362 7.9868 119.9823 64.6477 37.1907 177.6285 27 Y 4.1415 8.6894 117.7890 61.5604 37.6032 179.1888 28 A 4.1099 8.1213 119.6876 54.9230 18.4823 178.8362 29 E 4.1330 7.9573 117.0251 58.8015 29.9721 178.4027 30 V 4.0817 7.9496 110.4712 61.0324 32.3430 175.9216 31 L 4.7856 7.2276 117.8013 52.8949 44.2020 175.2433 32 D 5.1792 8.1305 119.5307 51.0769 43.5388 177.2316 33 G 3.6765 8.5022 105.7999 47.9318 0.0000 176.0180 34 R 3.9238 7.9507 118.0793 59.3184 29.5470 178.9859 35 T 3.9216 8.2072 116.5288 66.3831 68.3568 176.7320 36 L 3.8948 7.8596 121.0351 57.4362 41.5777 179.2859 37 K 3.2144 7.5408 119.6847 59.4968 31.9763 179.0225 38 T 3.8181 7.5617 115.5014 66.6225 68.3475 176.6487 39 L 4.0656 7.8553 120.9251 57.9553 41.5462 178.9939 40 Y 4.3511 8.2485 119.6751 60.6105 38.7276 178.0301 41 K 3.8089 8.1715 120.6864 59.4584 32.1936 178.8700 42 L 4.1154 8.4648 119.6426 57.6236 41.4178 179.8724 43 S 4.3718 8.4893 116.5847 60.9725 62.6796 176.1330 44 A 3.8160 8.0039 122.3963 55.4075 18.1356 179.7042 45 K 4.0073 7.9166 115.3637 58.1243 32.1482 177.9261 46 G 3.9583 7.6625 105.4835 45.6730 0.0000 174.7962 47 Y 4.5539 8.1677 118.1639 60.0473 38.9506 175.9143 48 I 4.6488 7.8849 119.8161 60.2333 39.0968 176.4021 49 T 4.2631 8.9780 123.5375 65.3167 69.9101 174.1572 50 A 4.1722 7.3999 122.2441 51.0541 22.2555 174.1795 *52 G 4.1969 8.6234 102.7550 45.9773 0.0000 172.6553 53 G 4.0736 8.5787 109.8241 45.7705 0.0000 172.7982 54 V 4.1337 8.4392 120.6007 63.0594 31.6732 175.3900 55 I 4.3113 8.5901 128.8435 62.9624 38.5379 176.1903 56 S 4.6924 7.3829 114.9686 56.9042 65.8641 172.6976 57 T 4.7213 8.3923 115.6776 60.0537 71.3501 173.0662 58 G 4.1389 8.1136 110.7822 44.2387 0.0000 172.7937 59 K 4.1339 8.5273 117.6246 58.3375 32.4205 178.0199 60 E 4.6864 8.1548 117.0562 57.0202 32.0336 175.8432 61 A 4.9845 7.6774 118.6167 50.4209 23.0516 174.7963 62 N 4.9879 9.0821 117.0739 51.2664 42.3995 173.8951 63 V 4.8072 8.0424 121.8202 61.1594 34.8166 174.3496 64 F 5.3099 9.0146 124.5349 55.8388 43.5995 173.3158 65 Y 4.6772 9.1276 123.0010 57.4761 39.3944 174.5722 66 A 4.7799 7.2117 125.5357 50.3711 22.6995 175.1694 67 D 4.5532 8.8822 120.2414 54.1087 43.1301 176.6182 68 G 4.0924 8.3760 106.7564 46.1733 0.0000 171.5334 69 V 5.0100 8.6150 119.2661 61.1184 35.1716 175.4059 70 F 4.6189 8.8726 129.0798 57.5725 42.1915 173.8277 71 D 3.6218 8.7561 126.7600 55.1723 39.2818 174.1326 72 G 3.9150 8.7337 103.5279 44.8908 0.0000 173.8247 73 K 4.6506 7.6699 117.9042 53.8664 35.7367 174.0235 74 P 4.8809 0.0000 0.0000 63.3800 32.0609 175.9723 75 V 4.6750 8.8966 115.0650 60.0706 36.8459 174.3260 76 A 4.7380 8.6038 124.0816 50.6771 21.4344 175.7345 *78 A 4.6072 8.1874 119.3732 52.0658 20.5853 176.0366 79 V 4.3891 8.9793 122.8828 61.2135 33.5355 174.0027 80 K 4.9718 8.9627 130.4684 55.0465 34.2572 175.2350 81 I 5.1384 8.6155 127.3079 59.9075 40.8463 174.1394 82 Y 4.7747 8.9713 125.5033 57.1649 38.9366 175.9364 83 R 4.1296 8.8802 123.0289 56.3477 31.1043 176.8633 84 I 3.9910 8.2780 124.3816 60.1397 37.0659 174.9630 *93 D 5.0730 8.4266 126.1521 54.3228 42.9241 178.0130 94 E 3.9275 8.5175 117.6054 59.8399 29.2856 178.0237 95 Y 4.5373 7.8997 112.3830 59.0633 38.4838 176.0169 96 L 4.4326 8.0458 121.4837 56.9909 43.1393 175.5157 97 Y 4.3064 8.1983 116.1203 58.8505 38.4524 175.4168 98 G 3.8912 9.2091 112.0292 45.4283 0.0000 173.0262 99 D 4.6449 7.9075 121.5088 53.4924 39.8861 177.0511 100 E 4.3051 8.5162 121.5986 57.1405 30.1757 176.5051 101 R 3.9611 7.8282 116.7284 59.1266 30.9012 177.1964 102 F 4.7886 7.6676 117.9990 56.7069 39.3557 175.3592 *110 K 4.1926 8.2338 121.2310 57.5312 34.3461 176.9606 111 E 4.1400 7.6485 116.9570 55.2781 29.8633 178.0389 112 K 3.9091 7.7006 121.9278 59.3267 32.1924 178.7891 113 V 3.5292 7.3468 118.3272 65.6339 31.4925 177.8845 114 F 4.7856 7.6091 117.3135 60.6392 38.7986 177.5522 115 I 3.6522 7.6223 119.4844 63.9903 36.8885 178.2563 116 W 3.7082 8.0689 129.2140 60.5167 30.3205 178.0546 117 T 3.8509 8.0370 115.7313 66.7654 67.9707 176.1402 118 E 2.9427 7.9999 121.0119 58.7999 29.4744 178.7424 119 K 3.9406 7.8839 120.1409 59.2002 32.0879 178.5089 120 E 3.6246 7.8383 119.5634 59.0569 29.5977 178.1702 121 F 3.8986 7.8581 120.6933 61.7488 39.3633 177.5027 122 R 3.9295 8.4776 117.6760 59.2138 29.7702 178.8667 123 N 4.3321 8.2639 116.6955 56.1321 38.4045 177.5281 124 L 3.8899 8.0899 120.9549 57.7161 41.6679 179.3601 125 E 3.7426 7.9620 118.6500 59.1640 29.3309 179.4327 126 R 3.8186 8.0165 118.6563 59.1562 30.1447 178.4695 127 A 3.9167 8.0869 120.7292 55.0618 18.4500 179.4925 128 K 3.9588 8.1434 118.4000 59.6915 32.0147 178.6160 129 E 3.9457 7.9955 118.4080 58.7798 29.6189 177.7074 130 A 4.3626 7.5036 117.8518 51.9704 18.7647 177.8351 131 G 3.7562 7.8614 105.8135 45.3589 0.0000 173.8029 132 V 3.7805 7.2605 119.2940 62.0423 32.5192 176.3820 133 S 4.2310 8.7981 122.8944 57.9340 62.1030 172.9928 134 V 5.1094 7.8413 118.7194 58.2444 35.5996 173.9169 135 P 4.2603 0.0000 0.0000 62.1866 31.6973 176.5232 136 Q 3.7889 8.7666 124.2742 55.6487 29.1685 174.3991 137 P 4.1393 0.0000 0.0000 62.7149 31.8596 174.7158 138 Y 4.2553 8.3402 120.3464 58.9066 39.2982 175.7941 139 T 4.4596 7.3724 111.1877 61.4585 70.7334 171.6637 140 Y 5.3432 6.7037 119.3438 54.9350 41.9217 174.5776 *142 K 3.7902 8.5346 120.9434 56.9021 32.9067 176.0718 143 N 5.3181 9.3690 126.3643 52.7753 38.9058 173.5991 144 V 4.9110 7.8355 119.9018 61.3501 34.4671 173.8382 145 L 5.0153 9.1709 129.4779 53.2962 45.1135 174.9651 146 L 5.4266 8.7986 125.0514 52.0166 45.3020 175.0313 *148 E 4.4004 8.4925 121.2015 55.9928 30.6126 174.8504 149 F 4.3238 9.0592 129.8375 58.0193 40.4945 174.6747 150 I 3.7984 8.5406 127.2815 60.9394 37.4787 175.4896 151 G 3.5799 7.1137 113.8129 45.6518 0.0000 170.1499 152 E 4.8437 8.2362 117.6593 55.8815 33.6819 174.5394 153 D 4.4086 9.7271 117.6621 55.6713 38.5907 174.5755 154 E 2.6146 8.2810 113.6961 56.0954 26.8536 174.0107 155 L 4.6697 7.9896 122.6817 52.2766 42.8956 173.7876 156 P 4.6188 0.0000 0.0000 62.3308 31.8947 176.2824 157 A 4.2489 8.4099 125.4758 51.6068 19.0367 175.5361 158 P 4.7543 0.0000 0.0000 62.6250 32.6201 176.5011 159 T 4.4125 8.8402 112.3167 60.9727 70.0488 175.6385 160 L 4.0313 8.3377 122.5599 57.8512 41.1475 180.4027 161 V 3.5766 6.9719 118.4966 64.6967 31.3522 178.0958 162 E 4.1012 7.5912 118.6284 58.7373 29.5086 178.8059 163 L 4.1242 8.3825 119.8669 56.2021 42.1942 179.2603 164 G 4.0211 8.5175 106.4293 47.1144 0.0000 177.9509 165 R 4.1490 8.7996 126.8437 58.4036 29.8075 177.1690 166 E 3.9857 8.0391 118.3110 59.2155 29.5212 179.1670 167 L 3.9116 7.6863 118.3208 57.0816 41.3161 178.9632 168 K 4.2467 8.0567 117.2761 58.0143 32.1644 177.3430 169 E 4.4068 7.8745 117.6223 56.1207 29.5863 175.4657 170 L 4.8317 7.2604 118.2093 52.4310 45.5220 177.5099 171 D 4.6783 8.2102 119.7995 53.1293 37.6774 176.6033 172 V 3.7111 7.7079 123.7303 64.7236 31.6836 178.1330 173 E 4.0498 8.2481 119.6175 58.8589 29.4897 178.7951 174 G 3.5963 8.3036 105.7382 47.8623 0.0000 175.4546 175 I 3.7109 8.0329 123.3430 64.0555 37.0880 178.0084 176 F 3.0698 8.1232 121.3124 61.2356 39.0802 176.8729 177 N 3.9912 8.1269 115.7975 56.2417 38.3017 176.9104 178 D 4.2326 8.3302 119.7840 57.2021 41.3368 178.4364 179 V 3.7371 7.8955 119.1922 65.9731 31.4493 178.2448 180 V 3.3746 7.4357 118.1188 65.9192 31.3508 177.3937 181 E 3.8282 8.4511 119.3862 59.4589 29.2934 178.6178 182 N 4.0871 8.0344 116.2855 56.2903 38.5220 177.5688 183 V 3.7807 8.0168 119.6223 65.7026 31.5834 177.8219 184 K 3.8818 8.3601 119.7725 59.6624 32.0197 178.7637 185 R 3.8762 8.0212 118.1590 59.2211 29.9614 178.5404 186 L 3.9351 8.0343 120.0263 58.4834 42.1369 178.5331 187 Y 4.1158 8.1208 120.3641 60.4088 38.6510 177.7076 188 Q 4.1188 8.7689 117.8669 58.6813 29.0123 177.1022 189 E 4.3140 8.4030 117.6046 57.1452 30.6105 176.9259 190 A 4.2889 7.9637 119.3824 51.6040 20.0623 176.3178 191 E 4.0554 7.9297 114.1169 56.5334 26.9612 173.9266 192 L 5.0977 8.1547 116.4242 52.8177 45.9671 176.2781 193 V 4.6807 8.4015 120.0674 61.1936 34.0114 175.9198 194 H 3.8448 9.1023 126.8972 59.1078 29.8350 176.7811 195 A 3.9562 9.1153 118.5343 52.3979 17.1993 177.2702 196 D 4.6497 7.5680 114.8512 52.9672 41.5306 175.0108 197 L 3.8934 8.2430 121.2702 54.0791 42.4783 175.3882 198 S 4.4981 7.8322 119.5407 57.2519 65.5168 174.9313 199 E 3.4260 8.2430 117.2740 58.7862 29.0288 178.4058 200 Y 4.0279 7.5596 116.1402 59.6946 38.5131 175.8931 201 N 4.9719 8.2433 117.0939 52.7411 39.4106 173.7154 202 I 5.3395 7.1364 117.9380 58.2903 41.1740 173.4922 *204 Y 4.8740 8.1124 121.0072 57.8677 39.1768 174.7104 205 I 3.7354 8.1225 126.3668 61.0607 39.1764 173.5801 206 D 4.7553 8.3884 131.3264 54.5790 40.1125 174.2557 207 K 4.7105 6.7670 115.0951 54.9954 35.7679 175.4641 208 V 4.4193 8.4342 113.0454 61.4835 32.0026 175.6567 209 Y 4.8732 8.5382 119.4128 56.3327 41.7432 174.3268 210 F 5.2692 9.0882 122.7137 56.4254 40.6550 175.0518 211 I 4.6466 7.9282 115.1263 59.6998 41.2876 170.0809 212 D 4.4949 8.7322 129.5522 53.7238 41.4488 173.3163 *214 G 3.0781 8.6469 115.1125 44.9571 0.0000 173.0090 215 Q 3.8761 7.5063 114.3664 55.9254 29.2924 175.7103 216 A 4.5483 7.2416 120.8587 51.9332 19.1792 177.1371 217 V 4.8555 8.4762 113.5198 59.5936 36.4258 175.4862 218 T 5.1060 8.1909 112.4319 60.0966 70.7536 175.2788 219 L 4.2451 8.3770 119.6872 56.0640 41.6414 178.4820 220 R 4.1431 7.6756 117.5573 57.8785 30.4893 176.6255 221 H 4.3260 7.9388 118.8336 55.1814 30.1823 175.1725 222 P 4.3182 0.0000 0.0000 62.6574 30.5871 177.4729 *224 A 4.4695 8.2388 122.5116 53.3736 20.5998 179.5160 225 E 4.0460 8.1387 115.8612 59.4406 29.6325 178.9569 226 S 4.2217 7.9523 113.9066 61.5742 63.0222 175.9541 227 Y 4.4761 7.7568 119.8680 60.8145 37.7362 177.8819 228 L 4.0692 8.3491 121.3812 58.5280 42.1795 178.7731 229 E 4.2803 8.3519 118.3497 59.6918 29.4126 179.5422 230 R 4.0238 8.0992 118.3452 59.3308 30.2176 178.1211 231 D 4.3880 8.4304 118.8973 57.6010 40.9332 179.0378 232 V 3.7149 8.4106 118.8778 66.1353 31.5457 178.0979 233 R 4.1242 8.7052 118.2368 59.6048 29.9045 178.8308 234 N 4.4945 8.3900 116.1622 56.2273 38.4792 177.6792 235 I 4.0152 7.9600 121.1697 64.5698 37.3418 178.1782 236 I 3.8878 8.0471 120.7480 64.7398 36.8046 178.3552 237 R 3.9214 8.0105 117.6341 59.3618 30.3274 177.9338 238 F 4.2472 8.4929 120.4484 61.5065 39.4747 177.0266 239 F 4.2632 8.7026 116.8836 59.6035 38.5540 177.7941 240 S 4.4419 7.8921 114.7649 60.3625 62.8130 175.9910 241 K 3.9457 7.4463 120.0663 57.6018 31.7379 176.9104 242 Y 4.5439 7.5193 116.3897 57.5405 38.5548 176.6519 243 G 3.8498 8.5190 107.3677 45.1435 0.0000 173.9490 244 V 3.8598 7.5008 120.3996 61.5107 32.0133 174.5838 245 K 4.5597 8.3064 126.8668 54.9484 33.3058 175.8039 246 A 4.5682 8.0644 124.5096 51.2136 21.8913 174.7160 247 D 4.9205 8.4615 120.0889 52.4361 42.6621 177.0760 248 F 4.0852 9.2988 127.2710 61.5840 39.7315 176.0488 249 E 3.8709 8.5353 120.4078 59.3308 29.7420 178.7429 250 E 4.0379 7.6922 115.4969 56.9587 29.2781 177.7628 *252 L 4.0024 8.0133 120.8364 54.4941 43.9003 179.0212 253 K 3.8735 7.9289 117.8704 59.2726 32.1420 178.9596 254 E 3.8584 8.3357 119.8551 59.1508 29.7944 179.0744 255 V 3.4939 7.5945 117.0295 65.6279 31.6459 176.5650 256 K 3.4849 7.8662 116.3475 55.7328 32.0666 176.8265 257 G 3.8816 7.5433 106.6020 46.8221 0.0000 173.9446 258 E 4.2373 8.5258 124.9524 56.0414 29.7576 176.1883 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 3 D 8.22 4.72 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.96 4.01 0.00 1.74 1.76 0.94 0.52 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 5 K 8.36 3.99 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.08 7.81 6 K 8.03 4.20 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.10 7.81 7 I 7.85 4.01 2.05 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 0.55 0.96 0.00 0.00 8 E 8.22 4.05 0.00 1.98 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 2.59 2.46 0.00 9 S 7.88 3.96 0.00 3.75 3.73 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 10 Y 7.98 3.81 0.00 3.34 2.85 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 11 L 8.37 3.86 0.00 1.91 1.66 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.19 4.31 0.00 2.76 2.65 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 13 K 7.66 3.90 0.00 1.28 0.96 0.00 0.94 0.00 0.00 0.82 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.34 7.81 14 L 7.89 4.27 0.00 1.48 1.63 0.89 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.55 3.70 0.00 1.96 2.00 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 16 I 7.56 3.98 1.59 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.04 0.48 0.00 0.00 17 K 7.92 4.51 0.00 1.79 1.69 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.55 7.81 18 E 8.83 3.92 0.00 1.95 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 2.31 2.26 0.00 19 K 8.04 4.15 0.00 1.78 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 20 D 8.19 4.75 0.00 2.60 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 21 G 7.71 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.64 4.29 0.00 2.08 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 2.42 2.42 0.00 23 E 8.08 4.18 0.00 2.21 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 2.54 2.57 0.00 24 R 8.04 3.91 0.00 1.87 1.94 0.00 3.33 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 25 K 8.09 4.00 0.00 1.95 2.01 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.63 7.81 26 I 7.99 3.74 2.13 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 1.57 0.66 0.95 0.00 0.00 27 Y 8.69 4.14 0.00 3.21 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 28 A 8.12 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.96 4.13 0.00 1.95 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 0.00 2.33 2.41 0.00 30 V 7.95 4.08 2.27 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 123 N 8.26 4.33 0.00 2.83 2.75 0.00 0.00 6.98 7.42 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 0.00 124 L 8.09 3.89 0.00 1.53 1.49 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.96 3.74 0.00 1.95 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 1.63 2.06 0.00 126 R 8.02 3.82 0.00 1.94 1.86 0.00 3.02 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 127 A 8.09 3.92 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 0.00 128 K 8.14 3.96 0.00 1.85 1.73 0.00 1.47 0.00 0.00 1.51 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 129 E 8.00 3.95 0.00 2.10 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 2.31 2.46 0.00 130 A 7.50 4.36 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 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0.00 6.66 7.59 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 0.00 183 V 8.02 3.78 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 1.08 0.00 0.00 1.22 0.00 0.00 184 K 8.36 3.88 0.00 1.84 1.96 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.61 7.81 185 R 8.02 3.88 0.00 1.95 1.92 0.00 3.18 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 186 L 8.03 3.94 0.00 2.03 1.99 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 8.12 4.12 0.00 3.24 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 0.00 188 Q 8.77 4.12 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 189 E 8.40 4.31 0.00 2.06 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 2.27 2.37 0.00 190 A 7.96 4.29 1.28 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.13 0.00 0.00 218 T 8.19 5.11 4.22 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 1.21 0.00 0.00 219 L 8.38 4.25 0.00 1.50 1.65 0.71 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 220 R 7.68 4.14 0.00 1.85 1.98 0.00 3.14 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 221 H 7.94 4.33 0.00 3.18 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 P 0.00 4.32 0.00 2.17 2.10 0.00 3.43 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 1.86 1.89 0.00 *224 A 8.24 4.47 1.47 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 0.00 225 E 8.14 4.05 0.00 2.15 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 2.43 2.64 0.00 226 S 7.95 4.22 0.00 4.10 4.06 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 0.00 227 Y 7.76 4.48 0.00 3.23 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 0.00 228 L 8.35 4.07 0.00 1.93 1.97 1.00 1.10 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 0.00 229 E 8.35 4.28 0.00 2.36 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 0.00 2.72 2.47 0.00 230 R 8.10 4.02 0.00 2.07 2.27 0.00 3.19 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 231 D 8.43 4.39 0.00 3.03 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 0.00 232 V 8.41 3.71 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 1.11 0.00 0.00 0.98 0.00 0.00 233 R 8.71 4.12 0.00 2.16 2.02 0.00 3.07 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 234 N 8.39 4.49 0.00 3.04 2.94 0.00 0.00 7.06 7.31 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 0.00 235 I 7.96 4.02 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.94 1.35 0.00 0.00 236 I 8.05 3.89 2.19 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 1.64 1.31 1.05 0.00 0.00 237 R 8.01 3.92 0.00 1.88 2.28 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 238 F 8.49 4.25 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 F 8.70 4.26 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 S 7.89 4.44 0.00 3.99 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 0.00 241 K 7.45 3.95 0.00 0.99 1.19 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.50 7.81 242 Y 7.52 4.54 0.00 2.90 2.85 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 0.00 243 G 8.52 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 0.00 244 V 7.50 3.86 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 0.32 0.00 0.00 0.98 0.00 0.00 245 K 8.31 4.56 0.00 1.72 1.68 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.33 7.81 246 A 8.06 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 D 8.46 4.92 0.00 2.78 2.65 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 0.00 248 F 9.30 4.09 0.00 2.96 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 0.00 249 E 8.54 3.87 0.00 2.11 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 2.35 2.29 0.00 250 E 7.69 4.04 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *252 L 8.01 4.00 0.00 1.18 1.25 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 253 K 7.93 3.87 0.00 1.87 1.78 0.00 1.79 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.29 7.81 254 E 8.34 3.86 0.00 1.98 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 2.23 2.19 0.00 255 V 7.59 3.49 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 0.61 0.00 0.00 0.85 0.00 0.00 256 K 7.87 3.48 0.00 1.61 1.69 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.35 1.14 7.81 257 G 7.54 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 0.00 258 E 8.53 4.24 0.00 1.82 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 0.00 2.23 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.