NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 T 4.2540 8.1593 115.2430 61.2363 68.5331 174.1459 28 P 4.4917 0.0000 0.0000 62.0999 33.9121 172.0833 29 I 4.1253 9.3046 124.0678 58.6556 45.9779 177.3764 30 P 4.1376 0.0000 0.0000 61.0585 31.1656 173.2170 31 E 3.9320 8.5333 118.7877 56.7274 29.8647 175.6523 32 E 4.5014 8.5738 126.2926 55.0456 31.1636 174.3704 33 V 4.2158 7.8863 130.6084 62.1590 32.3091 174.3712 34 Q 4.5144 8.5675 116.3871 54.4446 30.1497 176.2287 35 Q 4.2460 8.2860 122.0922 54.2275 28.2871 177.6854 36 A 4.4120 8.0515 127.0968 51.9830 17.9168 175.7520 37 Q 4.6739 8.3010 114.8122 56.2923 32.1283 173.0805 38 T 3.7882 8.0666 113.6857 62.3742 67.5257 172.7672 39 E 4.4981 8.6376 129.8931 54.1867 30.5788 175.1114 40 I 4.1559 8.2338 120.5463 60.7005 39.9508 173.8438 41 K 4.4443 8.5839 120.3587 55.0875 31.6917 177.7527 42 L 3.8200 9.9645 126.1188 57.2435 39.4255 174.2347 43 F 3.8377 7.9551 115.2519 57.0281 37.1895 176.5599 44 N 4.4817 7.9696 117.7520 53.7163 38.5370 174.3532 45 K 3.8390 7.4175 117.0099 57.9488 32.7733 176.1515 46 W 5.2784 7.6482 114.9978 54.9714 33.1932 173.9840 47 S 4.2449 8.2805 113.4269 56.5043 63.8381 173.9452 48 F 4.7487 6.5683 119.9777 58.2608 38.9702 177.9707 49 E 4.2813 8.0121 120.2757 58.9056 29.5494 177.9225 50 E 4.0588 8.0807 116.0298 58.6628 30.0185 177.7063 51 V 3.8416 7.2970 118.6102 62.9171 31.9039 174.6976 52 E 4.6361 8.8436 126.7960 54.4375 31.5772 175.6051 53 V 4.2572 8.1050 122.4983 60.8464 32.7521 175.2897 54 K 3.9965 8.7715 129.2711 59.3207 32.5427 177.1163 55 D 4.4353 8.0425 119.3611 53.8978 41.6474 176.2554 56 A 4.0284 8.6117 129.8190 55.2695 18.4344 178.9466 57 S 4.3106 7.9528 112.7024 61.8477 62.9192 176.7785 58 L 4.0690 7.9675 122.7550 58.0390 42.0407 178.9933 59 V 3.6769 8.0757 119.3419 64.8732 30.9076 177.8290 60 D 4.2331 7.4202 117.5214 57.4147 41.1021 177.0721 61 Y 3.8207 7.5882 115.5725 60.1385 38.1392 175.7908 62 V 3.9110 7.2649 119.0541 61.6969 30.8560 174.7631 63 Q 4.3757 7.9110 126.5619 55.5413 29.4627 176.0645 64 V 4.5336 8.1434 118.3067 61.3159 33.7850 176.7665 65 R 4.3031 8.2260 117.0389 52.8952 27.9994 175.2931 66 Q 3.8142 6.9883 117.9580 55.4286 27.5454 171.1831 67 P 5.0213 0.0000 0.0000 61.5168 35.0412 174.6009 68 I 3.9248 7.5284 119.7558 61.0059 40.8247 176.0731 69 F 4.2259 8.3874 123.4941 56.5920 40.2540 173.1122 70 V 3.7538 7.3833 126.7362 60.8031 34.2647 178.3231 71 A 4.8209 7.6587 123.2136 53.0618 22.2820 175.1861 72 H 4.9595 7.3443 118.9818 55.7949 29.1448 174.1477 73 T 4.4803 7.8227 116.4147 60.8801 69.0905 173.5339 74 A 4.4591 8.0883 126.7695 51.1136 21.9151 177.1435 75 G 3.6191 8.1903 112.0654 44.1898 0.0000 173.5226 76 R 3.8529 7.8420 125.6715 56.8334 31.1265 178.1026 77 Y 4.0776 7.5651 110.2398 58.0240 36.6082 169.7559 78 A 4.1985 8.8686 123.5329 54.6910 18.7361 177.6030 79 N 3.9963 7.2487 112.3345 51.7390 39.0445 174.0483 80 K 4.4701 8.2834 120.9592 55.7223 35.6316 175.8078 81 R 4.2958 8.7551 122.8280 56.6023 27.8470 177.3652 82 F 4.8211 7.0010 112.9683 55.8009 40.7249 175.2946 83 R 4.2659 8.6183 120.7210 57.0118 29.9817 177.2528 84 K 4.2330 9.3717 122.3973 58.2961 32.5249 176.4033 85 A 4.4490 7.4309 117.1918 51.8377 21.6612 174.8071 86 Q 4.6592 8.3600 116.5018 55.7317 29.6515 175.6177 87 C 4.8612 8.3334 116.8090 58.1302 33.0754 171.1290 88 P 5.0493 0.0000 0.0000 60.6910 33.9409 176.0328 89 I 3.7216 8.5166 123.4697 64.1518 38.1034 178.0983 90 I 3.7654 7.7898 119.1533 64.0597 37.4138 177.3348 91 E 4.1386 8.2531 119.7555 59.4312 29.5507 178.8553 92 R 3.9781 7.8396 118.3311 59.0877 29.6003 178.8459 93 L 3.9685 7.8027 119.7525 58.3945 41.6024 178.9039 94 T 3.9005 8.1347 113.0915 65.2971 67.3798 175.9136 95 N 4.4762 8.0139 118.0166 56.1690 38.5815 177.6017 96 S 4.2613 8.0025 115.4430 61.4061 62.8606 176.6042 97 L 4.0160 7.4434 121.0450 57.6548 41.4091 178.8020 98 M 4.1940 7.7544 117.1714 59.2999 32.2813 177.0298 99 M 4.4586 8.0496 117.7679 55.5964 32.0617 174.8451 100 N 4.6678 8.5959 130.7946 53.9006 39.0076 174.6134 101 G 4.8206 7.6768 120.6577 45.5871 0.0000 170.4847 102 R 4.4764 8.0991 119.9919 56.0633 33.1474 175.3212 103 N 4.6008 8.6710 116.3468 54.8335 39.2953 172.7996 104 N 4.1893 8.5962 117.4874 55.0229 37.2792 174.3551 105 G 4.2105 7.4611 101.8080 42.3335 0.0000 173.3842 106 K 4.6025 8.2462 122.9152 54.5183 35.5858 177.7221 107 K 4.0572 8.4685 122.4007 59.5626 31.7819 179.2708 108 L 4.0565 7.9424 119.0124 57.7796 41.6148 179.5086 109 K 4.0628 8.0430 117.7115 59.3029 32.1449 179.0407 110 A 4.0299 8.1127 121.1402 55.2732 18.2025 179.9147 111 V 3.7431 8.3297 117.1032 66.0859 31.6114 178.5757 112 R 3.9556 7.6517 116.9885 59.1333 29.9198 179.0263 113 I 3.7061 7.8627 113.2100 64.0215 37.5448 178.3215 114 I 3.5798 7.3528 113.7149 63.3550 36.8620 178.0765 115 K 2.8960 7.9274 121.4886 59.3435 31.9761 178.5412 116 H 3.8843 8.2628 118.9057 59.5911 28.4801 178.6022 *117 T 4.0014 8.0217 118.9106 66.4535 68.2873 179.4068 *118 L 4.2679 7.8770 127.5941 60.0902 41.1015 181.9713 *119 D 4.6979 7.9474 124.2294 58.7497 39.6476 181.1843 *120 I 3.9840 7.7552 121.0447 65.1577 35.4192 181.1139 121 I 3.8510 7.8960 121.9927 64.1581 36.9047 178.0829 122 N 4.5361 8.0057 119.2688 56.1453 38.5474 177.1398 123 V 3.6671 7.4883 118.3090 65.8420 31.6855 177.8463 124 L 4.1400 8.0610 118.4526 58.0549 41.6392 179.1956 125 T 4.0198 7.9160 108.4256 62.3834 69.2921 174.1891 126 D 4.4882 8.9669 119.3528 54.4460 40.0213 172.8587 127 Q 4.5208 7.7340 115.7659 52.7538 32.3686 172.4228 128 N 4.0522 8.9084 120.5286 53.8606 40.0060 174.0711 129 P 4.0016 0.0000 0.0000 65.7088 31.3622 178.7557 130 I 3.6801 7.4350 119.4729 64.1897 37.2306 177.8209 131 Q 3.9591 7.9507 120.0103 59.2074 28.9482 178.3798 132 V 3.5764 7.5103 119.4518 65.8000 31.6274 178.1237 133 V 3.5467 7.6304 117.7954 65.9617 31.3380 178.1007 134 V 3.5985 7.8525 117.9166 66.1402 31.2168 177.5331 135 D 4.2939 8.0505 117.0686 57.1130 41.0387 178.0472 136 A 4.0605 8.0918 121.3077 55.3356 18.5827 179.7795 137 I 3.6956 7.6199 117.8877 64.6419 36.9627 178.6234 138 T 3.9562 7.8456 112.9686 65.2943 67.2829 175.7049 139 N 4.4909 7.7139 117.3611 56.4256 38.7256 176.7607 140 T 4.4426 7.8878 111.9288 62.0473 67.6582 174.3130 141 G 3.9229 7.2277 108.9328 43.6769 0.0000 172.1649 142 P 4.4683 0.0000 0.0000 61.9005 31.9823 177.0757 143 R 4.0453 8.4314 116.0987 59.1758 29.6748 176.3110 144 E 4.6906 7.4763 114.6677 55.8720 33.3308 173.4194 145 D 4.8310 8.3106 120.0245 53.8874 45.6197 175.7623 146 T 4.9627 7.9313 107.0562 60.7465 68.6772 173.7354 147 T 3.8722 7.6980 115.5520 62.6177 69.8945 174.3003 148 R 4.6039 8.3744 122.8177 54.9419 31.4594 175.5379 149 V 4.3373 8.6337 125.0947 60.8079 34.2054 174.5184 150 G 4.3259 8.7689 115.4092 45.2327 0.0000 173.2177 151 G 4.3277 9.1856 112.6419 45.2321 0.0000 173.9677 152 G 3.7341 8.2738 111.0372 46.9970 0.0000 174.2834 153 G 3.9284 8.7676 112.8733 44.7646 0.0000 171.8476 154 A 4.4396 7.7718 122.1267 50.8833 22.4681 175.2663 155 A 5.0346 8.3923 120.7154 50.6172 20.8046 176.3559 156 R 4.6462 8.6943 121.5160 55.0969 33.2954 175.9053 157 R 5.0395 8.2646 118.8650 53.7503 32.7528 175.4992 158 Q 4.2926 9.0001 121.3855 54.6261 29.9560 172.5864 159 A 4.1808 8.0532 127.1759 51.5691 18.8146 177.5709 160 V 4.4769 8.0559 120.3589 59.4575 34.5041 174.3865 161 D 4.4303 8.0770 121.1610 53.5324 41.4959 176.8306 162 V 3.8856 8.3099 116.0567 60.8469 33.2413 176.5019 163 S 3.4829 8.1830 108.2586 58.2738 62.3089 170.5946 164 P 4.0171 0.0000 0.0000 65.7611 30.8103 178.5137 165 L 4.1049 7.5579 116.9879 57.6492 41.5364 179.2820 166 R 3.8935 8.1012 118.7705 59.2306 30.0124 178.7324 167 R 3.8800 7.4227 118.1628 59.2554 30.1715 179.1566 168 V 3.6058 7.3836 116.4772 66.0777 31.5311 177.9154 169 N 4.3566 8.2146 116.2937 56.3481 38.4571 177.2650 170 Q 3.9724 8.3720 120.9500 58.9517 28.9578 178.1591 171 A 4.0101 7.8360 121.6743 55.3226 18.4249 179.7640 172 I 3.6808 7.7417 117.9031 64.3861 37.0882 178.5712 173 A 3.9869 8.0322 121.7028 55.1420 18.2306 179.7674 174 L 3.9973 8.0754 117.5335 57.8280 41.8634 179.4787 175 L 4.0102 7.7604 120.2899 58.4191 42.1381 179.2440 176 T 3.8755 8.1160 115.8658 66.5543 68.4189 176.7191 177 I 3.6645 8.0158 121.0307 63.8383 38.0519 178.1731 178 G 3.2555 7.6240 105.9163 47.5726 0.0000 175.5385 179 A 3.9833 7.7866 123.0603 54.8131 18.4895 179.6666 180 R 3.8494 7.7751 116.7813 59.5491 30.2386 178.4228 181 E 3.8769 8.1140 118.9185 59.1284 29.6328 178.5193 182 A 4.0211 7.9437 120.4145 55.1977 18.2111 179.4951 183 A 3.9560 7.6660 117.9289 55.0811 18.5044 179.4348 184 F 4.0774 7.9567 117.9632 61.5490 39.6359 177.3455 185 R 4.2307 7.9322 113.8972 57.5773 29.6465 176.0206 186 N 5.0612 7.5332 114.5318 51.1319 41.7485 174.7741 187 I 4.2011 7.9238 120.8528 59.3514 36.5938 174.2687 188 K 4.6022 7.6290 121.9273 54.6977 36.1531 176.3182 189 T 4.2349 8.2198 119.5694 62.8160 69.4384 175.8055 190 I 3.7679 8.5211 123.3773 63.7083 37.7629 177.8689 191 A 3.9746 7.8673 121.2987 55.1697 18.2468 179.3076 192 E 3.9187 8.1225 116.9360 59.6279 29.4903 179.5164 193 T 3.8589 7.4376 109.6898 64.6125 68.8023 176.4633 194 L 3.8845 8.3440 123.4151 57.7124 42.0667 178.7957 195 A 3.9048 8.2296 121.0370 55.1319 18.3415 179.2241 196 E 3.8323 8.3258 117.9648 59.4151 29.7818 178.6700 197 E 3.9336 8.3515 119.4706 59.0975 29.6581 178.5342 198 L 3.9308 7.9044 120.4254 58.2231 41.7510 179.0014 199 I 3.6823 7.9604 119.9425 64.4782 37.0624 178.2039 200 N 4.1771 8.2107 117.1253 56.2308 37.9013 177.3766 201 A 4.0031 8.0374 121.9034 54.9742 18.3433 179.0313 202 A 4.2622 8.0196 116.5391 53.4317 18.4605 177.6391 203 K 4.3722 7.2544 115.7378 55.0035 33.7311 176.3441 204 G 3.8652 7.8509 104.1333 46.9190 0.0000 173.4090 205 S 4.6044 7.8204 114.6995 56.6153 64.1117 175.2244 206 S 4.3454 8.6336 120.2185 60.1045 62.8808 175.3265 207 T 4.0065 7.9027 111.1840 64.3325 68.9421 175.8563 208 S 4.3242 7.6937 116.7133 58.2126 64.8859 174.7033 209 Y 4.0245 8.9682 124.7390 60.6768 38.6898 178.2348 210 A 4.0864 8.2821 121.5742 55.3555 18.5230 179.5299 211 I 3.6601 7.2869 117.6677 63.9211 38.1249 177.9480 212 K 3.8502 7.6577 119.2446 59.5085 32.0346 179.0199 213 K 3.9373 7.9688 118.7744 58.9270 31.8871 179.2729 214 K 3.9002 7.9464 119.9116 59.8340 32.3173 178.7218 215 D 4.3916 8.3251 119.1644 56.9107 40.5479 178.4674 216 E 3.8809 8.0462 119.8405 59.2820 29.7301 178.9123 217 L 3.9742 7.9548 119.2219 57.7847 41.5552 179.4247 218 E 4.0134 8.2282 117.5866 59.0799 29.3336 179.2361 219 R 3.8808 7.7704 119.4048 59.4802 30.1600 178.9948 220 V 3.6093 8.0852 112.2940 64.3030 31.3248 178.5015 221 A 3.9634 7.8629 119.5494 54.9286 18.2830 179.3036 222 K 4.0298 7.5504 117.1884 59.6938 32.3651 179.0872 223 S 4.3491 7.5852 114.1954 61.0443 64.1730 175.7152 224 N 4.7582 7.8908 119.9482 52.1507 36.2948 175.5473 225 R 4.1814 7.6131 119.9781 56.4413 31.2245 175.2061 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 27 T 8.16 4.25 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 28 P 0.00 4.49 0.00 2.30 2.08 0.00 3.86 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 1.98 2.01 0.00 29 I 9.30 4.13 1.87 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 1.41 0.56 0.91 0.00 0.00 30 P 0.00 4.14 0.00 2.24 2.09 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 31 E 8.53 3.93 0.00 1.92 1.85 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 2.29 2.31 0.00 32 E 8.57 4.50 0.00 1.96 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 2.27 0.00 33 V 7.89 4.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 34 Q 8.57 4.51 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 35 Q 8.29 4.25 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 36 A 8.05 4.41 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 37 Q 8.30 4.67 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.84 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 38 T 8.07 3.79 4.25 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 1.21 0.00 0.00 39 E 8.64 4.50 0.00 1.97 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 0.00 2.22 2.27 0.00 40 I 8.23 4.16 1.74 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 1.37 0.67 0.72 0.00 0.00 41 K 8.58 4.44 0.00 2.03 0.96 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.43 7.81 42 L 9.96 3.82 0.00 2.36 2.20 1.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.96 3.84 0.00 3.41 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 44 N 7.97 4.48 0.00 2.81 2.95 0.00 0.00 6.99 6.73 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 45 K 7.42 3.84 0.00 1.13 0.74 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.48 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.79 7.81 46 W 7.65 5.28 0.00 3.72 3.07 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 0.00 0.00 0.00 47 S 8.28 4.24 0.00 3.72 3.84 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 0.00 0.00 0.00 48 F 6.57 4.75 0.00 3.33 3.37 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 49 E 8.01 4.28 0.00 1.97 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 0.00 2.56 2.33 0.00 50 E 8.08 4.06 0.00 2.08 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 0.00 2.26 2.30 0.00 51 V 7.30 3.84 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 0.81 0.00 0.00 1.00 0.00 0.00 52 E 8.84 4.64 0.00 2.00 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 2.25 2.41 0.00 53 V 8.10 4.26 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 0.85 0.00 0.00 0.96 0.00 0.00 54 K 8.77 4.00 0.00 1.77 1.83 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.43 7.81 55 D 8.04 4.44 0.00 2.77 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 56 A 8.61 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 57 S 7.95 4.31 0.00 4.07 3.99 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 0.00 0.00 0.00 58 L 7.97 4.07 0.00 1.73 1.89 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.08 3.68 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 0.00 0.83 0.00 0.00 0.94 0.00 0.00 60 D 7.42 4.23 0.00 2.43 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 61 Y 7.59 3.82 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 87 C 8.33 4.86 0.00 2.87 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 88 P 0.00 5.05 0.00 2.05 1.92 0.00 3.59 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 1.95 2.08 0.00 89 I 8.52 3.72 1.91 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 1.55 1.25 0.95 0.00 0.00 90 I 7.79 3.77 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.24 1.12 0.00 0.00 91 E 8.25 4.14 0.00 2.11 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 0.00 2.21 2.42 0.00 92 R 7.84 3.98 0.00 2.09 1.99 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 93 L 7.80 3.97 0.00 1.79 1.84 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.13 3.90 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 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4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.62 3.70 2.09 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 1.42 0.90 0.93 0.00 0.00 138 T 7.85 3.96 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 1.27 0.00 0.00 139 N 7.71 4.49 0.00 2.77 2.87 0.00 0.00 7.05 7.72 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 0.00 140 T 7.89 4.44 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 1.37 0.00 0.00 141 G 7.23 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 0.00 142 P 0.00 4.47 0.00 2.36 2.06 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 143 R 8.43 4.05 0.00 1.93 2.11 0.00 3.07 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 144 E 7.48 4.69 0.00 1.92 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 2.19 2.29 0.00 145 D 8.31 4.83 0.00 2.57 2.52 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 0.00 146 T 7.93 4.96 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 0.00 147 T 7.70 3.87 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 0.00 148 R 8.37 4.60 0.00 1.70 1.92 0.00 3.15 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 149 V 8.63 4.34 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 0.95 0.00 0.00 0.92 0.00 0.00 150 G 8.77 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 0.00 151 G 9.19 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 0.00 152 G 8.27 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 0.00 0.00 0.00 153 G 8.77 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 0.00 154 A 7.77 4.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.39 5.03 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 4.65 0.00 1.78 1.83 0.00 3.06 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 157 R 8.26 5.04 0.00 1.63 1.86 0.00 3.22 0.00 0.00 3.87 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 158 Q 9.00 4.29 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 159 A 8.05 4.18 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 0.00 160 V 8.06 4.48 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 0.81 0.00 0.00 0.92 0.00 0.00 161 D 8.08 4.43 0.00 2.64 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 0.00 162 V 8.31 3.89 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 0.88 0.00 0.00 0.89 0.00 0.00 163 S 8.18 3.48 0.00 3.97 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 0.00 164 P 0.00 4.02 0.00 0.50 1.52 0.00 3.24 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.82 0.00 165 L 7.56 4.10 0.00 1.66 1.72 0.98 0.97 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 0.00 166 R 8.10 3.89 0.00 1.85 2.24 0.00 3.08 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 167 R 7.42 3.88 0.00 2.19 1.95 0.00 3.23 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 168 V 7.38 3.61 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 0.00 1.06 0.00 0.00 1.04 0.00 0.00 169 N 8.21 4.36 0.00 2.90 2.85 0.00 0.00 6.69 7.09 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 0.00 170 Q 8.37 3.97 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 171 A 7.84 4.01 1.48 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 0.00 172 I 7.74 3.68 1.88 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 1.47 0.72 0.92 0.00 0.00 173 A 8.03 3.99 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 0.00 174 L 8.08 4.00 0.00 1.99 1.84 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.76 4.01 0.00 1.84 1.83 0.92 1.13 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 0.00 176 T 8.12 3.88 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 1.25 0.00 0.00 177 I 8.02 3.66 1.84 0.00 0.00 0.78 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 0.93 0.61 0.00 0.00 178 G 7.62 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 0.00 0.00 0.00 179 A 7.79 3.98 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 R 7.78 3.85 0.00 1.88 2.07 0.00 3.41 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 181 E 8.11 3.88 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 182 A 7.94 4.02 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 0.00 183 A 7.67 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 F 7.96 4.08 0.00 3.27 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 0.00 185 R 7.93 4.23 0.00 2.09 2.11 0.00 3.09 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.71 0.00 186 N 7.53 5.06 0.00 2.87 2.75 0.00 0.00 6.93 7.61 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 0.00 187 I 7.92 4.20 1.87 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 1.41 0.78 0.91 0.00 0.00 188 K 7.63 4.60 0.00 1.73 1.63 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.46 7.81 189 T 8.22 4.23 4.34 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 1.19 0.00 0.00 190 I 8.52 3.77 1.86 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 1.50 2.62 0.90 0.00 0.00 191 A 7.87 3.97 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 0.00 192 E 8.12 3.92 0.00 2.06 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 2.42 0.00 193 T 7.44 3.86 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 0.00 194 L 8.34 3.88 0.00 1.79 1.89 0.90 1.01 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 0.00 195 A 8.23 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 E 8.33 3.83 0.00 2.26 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 0.00 2.31 2.36 0.00 197 E 8.35 3.93 0.00 2.22 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 0.00 2.54 2.36 0.00 198 L 7.90 3.93 0.00 1.87 1.81 0.88 1.05 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 0.00 199 I 7.96 3.68 1.94 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 1.49 0.74 0.90 0.00 0.00 200 N 8.21 4.18 0.00 2.93 2.87 0.00 0.00 6.94 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 0.00 201 A 8.04 4.00 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 0.00 202 A 8.02 4.26 1.43 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 0.00 0.00 203 K 7.25 4.37 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.39 7.81 204 G 7.85 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 0.00 205 S 7.82 4.60 0.00 4.04 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 0.00 206 S 8.63 4.35 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 T 7.90 4.01 4.25 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 1.21 0.00 0.00 208 S 7.69 4.32 0.00 4.37 4.14 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 0.00 209 Y 8.97 4.02 0.00 3.19 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 0.00 210 A 8.28 4.09 1.43 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 0.00 0.00 211 I 7.29 3.66 1.88 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 1.40 1.55 0.95 0.00 0.00 212 K 7.66 3.85 0.00 1.96 1.81 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.40 7.81 213 K 7.97 3.94 0.00 1.95 1.81 0.00 1.59 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.52 7.81 214 K 7.95 3.90 0.00 2.04 2.00 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.74 7.81 215 D 8.33 4.39 0.00 2.77 2.68 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 0.00 216 E 8.05 3.88 0.00 2.15 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 2.27 2.31 0.00 217 L 7.95 3.97 0.00 1.84 1.69 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 218 E 8.23 4.01 0.00 2.20 2.20 0.00 0.00 0.00 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 2.30 0.00 219 R 7.77 3.88 0.00 2.08 2.14 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 220 V 8.09 3.61 2.21 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 0.73 0.00 0.00 0.99 0.00 0.00 221 A 7.86 3.96 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 0.00 222 K 7.55 4.03 0.00 1.78 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 223 S 7.59 4.35 0.00 3.95 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 N 7.89 4.76 0.00 2.77 3.01 0.00 0.00 6.91 7.36 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 0.00 225 R 7.61 4.18 0.00 1.84 1.75 0.00 3.23 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 1.53 1.78 0.00 * Residues marked with a * may have inaccurate shift predictions.