NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7561 8.4249 118.1258 53.4289 40.9416 175.5942 8 E 3.9169 8.1086 117.3982 59.0485 29.7874 178.0204 9 K 4.0030 8.3968 115.5419 57.5329 32.8511 177.8936 *11 A 4.1895 8.1300 123.8432 52.2456 20.4654 179.7422 12 A 4.0901 8.0207 117.3566 54.6546 18.2363 179.7726 13 L 3.8823 7.9513 119.3041 58.4595 42.1966 178.9190 14 E 3.9254 8.1977 117.8412 59.2203 29.4194 178.8195 15 A 3.8692 7.9573 120.7433 55.3431 18.3696 179.7682 16 K 3.9048 7.8227 116.1108 59.6309 32.1033 179.5673 17 I 3.6939 8.0529 120.2636 64.6139 37.0048 178.1217 18 C 4.0572 8.1399 117.4360 63.3017 28.0142 176.0295 19 H 4.2712 8.0937 117.5724 58.8826 28.1401 177.6372 20 Q 3.7906 8.3113 121.5553 59.3132 28.8682 178.4979 21 I 3.9979 7.7614 120.7356 64.2884 36.9900 178.2370 22 E 4.0721 8.2992 118.9409 59.2674 29.5523 178.4181 23 Y 4.0930 8.0784 119.6868 61.0379 38.6832 177.8159 24 Y 4.6262 7.3171 117.3523 60.2890 38.1266 177.9270 25 F 4.6903 8.2656 115.4120 57.3852 39.8460 176.6657 26 G 3.9960 7.6633 107.1974 43.4970 0.0000 174.2240 27 D 4.2562 8.5511 118.8107 56.2916 40.8932 177.5963 28 F 4.5746 7.9349 115.7448 57.7256 40.2546 176.1425 29 N 4.6137 7.8069 118.4027 55.3202 39.9117 176.3963 30 L 3.9172 7.9905 120.0157 57.6730 42.2676 177.2702 31 P 4.1772 0.0000 0.0000 65.1031 31.3190 177.1473 32 R 4.3617 7.6054 111.9611 56.1106 29.6608 176.9824 33 D 4.6917 7.8501 120.4947 52.4364 40.4616 176.1584 34 K 3.8111 8.3167 126.3740 59.2025 32.4918 177.5971 35 F 4.0731 8.1300 120.1197 61.2363 39.5071 176.7110 36 L 3.7979 8.3962 119.9145 57.9649 41.6958 178.6600 37 K 3.7786 8.2939 117.6945 59.5532 31.7572 178.3830 38 E 3.9697 8.0341 119.0828 59.5710 29.4282 178.7194 39 Q 3.8896 7.4668 117.6565 59.2052 28.8656 179.0616 40 I 3.9385 7.6018 119.1275 63.1682 37.0296 178.0729 41 K 4.1360 7.4816 117.8009 58.5241 32.0671 178.2575 42 L 4.1607 7.4369 118.9546 57.5940 42.1558 177.5893 43 D 4.6956 7.7471 118.1687 53.0407 41.1099 174.4532 44 E 3.9288 9.2182 111.2344 57.5176 27.1820 175.5560 45 G 3.9396 8.0522 108.2302 45.0904 0.0000 175.2275 46 W 4.7385 7.4235 119.5530 56.8279 29.7508 176.0974 47 V 4.5163 9.4388 125.0972 60.1966 33.6225 173.1589 48 P 4.7181 0.0000 0.0000 62.8646 31.8841 177.6559 49 L 3.8620 8.5428 123.5084 57.3932 41.6057 178.8242 50 E 4.4186 7.7983 115.5065 58.9162 29.9765 176.9251 51 I 4.2471 7.4427 121.2252 61.9884 37.2101 177.1508 *53 I 4.2486 7.7774 111.9388 60.5156 38.9373 175.8230 54 K 4.2934 8.2237 119.4808 57.1308 32.6208 177.1072 55 F 4.2481 8.3077 119.7030 56.3034 39.6990 175.1762 56 N 4.3032 8.8867 122.7440 57.1521 38.5572 176.8811 57 R 4.0227 8.1327 117.3558 58.9830 30.5109 178.3381 58 L 4.1914 8.1800 120.2467 58.2862 41.7694 178.1926 59 N 4.3961 8.4868 117.1908 57.1948 38.5402 176.4314 60 R 3.8011 8.0077 118.5263 59.4108 30.1058 178.2228 61 L 4.2080 7.9127 118.1880 56.3919 42.2639 177.2630 62 T 4.3848 6.5606 104.1514 61.4256 71.4166 172.9635 63 T 4.4842 8.5444 112.0513 61.3313 69.6350 173.9882 64 D 4.4804 7.8614 122.5331 53.6958 41.6889 176.3376 65 F 4.5929 8.5548 127.3849 60.9035 38.9681 177.3606 66 N 4.4140 8.3757 115.6993 56.2429 38.4480 177.3387 67 V 3.6199 7.9408 119.2071 66.1365 31.5459 178.1877 68 I 3.7599 7.7474 119.0144 64.2549 36.9374 178.5406 69 V 3.5397 7.9582 119.0346 66.0441 31.2343 177.3544 70 E 3.8997 8.1101 117.5582 59.4388 29.2680 178.5492 71 A 4.1301 8.0473 120.3273 55.3835 18.4203 179.7428 72 L 4.0137 8.1679 117.6749 57.5497 41.4547 179.6859 73 S 4.2252 8.0672 113.3515 60.2331 63.0605 174.9642 74 K 4.3798 7.3672 119.4262 55.8215 32.9718 176.5433 75 S 4.1093 7.3654 114.3827 58.9937 62.5384 173.9081 76 K 4.4768 8.4875 124.2022 56.1855 32.4553 177.1294 77 A 4.0482 7.8284 124.0821 53.1111 18.7567 177.9835 78 E 3.7153 8.0363 113.4425 58.1788 26.7377 174.3687 79 L 4.4873 7.5390 116.8715 55.2837 44.1168 175.4888 *81 E 4.4079 7.9603 116.4215 56.6297 31.2140 174.4639 82 I 5.1362 8.2927 123.3808 59.4898 39.3852 175.8840 83 S 3.6128 8.5774 121.0686 58.1719 63.7454 174.8056 84 E 3.7517 8.8123 120.8022 60.1282 29.6494 178.6381 85 D 4.3399 7.7899 117.5233 56.6948 40.9782 178.6888 86 K 3.9743 7.8570 114.8374 57.1272 30.0304 176.8801 87 T 4.3014 7.4866 110.5290 62.9505 70.3179 174.0326 88 K 5.1474 7.7234 121.2397 55.6754 36.7792 174.7829 89 I 5.6184 8.7888 113.3011 59.9470 41.3704 173.9730 90 R 4.6153 8.2584 117.9364 54.6066 32.3813 174.6868 91 R 3.9514 8.1572 121.3859 55.9779 30.9711 176.0242 92 S 4.0463 9.3816 122.0463 58.3037 62.6755 173.6460 93 P 4.1545 0.0000 0.0000 65.3385 31.1334 177.0312 94 S 4.4744 7.5962 112.2344 58.5758 63.3881 174.8068 95 K 4.5202 7.7665 121.1363 53.8865 31.8520 174.0293 96 P 4.4333 0.0000 0.0000 61.7503 32.5215 177.3719 97 L 4.0011 8.0746 119.4362 53.9749 42.1213 175.7200 98 P 4.0203 0.0000 0.0000 62.2836 31.6975 175.8960 99 E 3.8579 8.3068 123.4062 56.1388 30.0236 178.0270 100 V 3.8564 7.9710 128.5695 62.2429 29.8651 175.3271 101 T 4.4832 7.4994 115.5282 59.9202 72.2406 175.3638 102 D 4.3896 8.5511 120.5835 57.7559 40.7189 178.9669 103 E 3.9807 8.2280 118.3479 59.5355 29.4185 178.5036 104 Y 4.0322 8.1173 119.3441 60.8171 38.8303 178.3803 105 K 3.7979 8.4321 119.4346 59.4372 32.3021 179.1308 106 N 4.2644 8.5140 117.0911 56.2609 38.2666 176.5852 107 D 4.3254 7.8841 118.2264 57.6699 41.6541 178.4831 108 V 3.6946 7.6480 118.4973 65.8236 31.3640 177.8072 109 K 3.9775 8.2702 119.6465 59.5973 31.8451 178.2265 110 N 4.5503 8.0438 114.7543 54.7107 38.6289 175.6569 111 R 4.9535 7.9305 115.7978 55.8993 31.4164 174.9809 112 S 5.2971 8.1620 116.7213 57.7775 64.9452 173.4228 113 V 5.0736 9.1101 123.3430 61.3835 35.4018 173.1821 114 Y 5.2667 9.7585 128.4671 56.0712 41.1183 174.3508 115 I 4.8281 7.9127 126.3074 59.2341 41.4754 174.1152 116 K 4.2972 9.0487 127.9851 54.6418 35.1459 175.5179 117 G 3.5417 8.2930 115.9233 45.7306 0.0000 173.6817 118 F 4.2143 7.6938 118.7591 54.7903 40.4800 174.4866 119 P 4.5049 0.0000 0.0000 62.6821 31.8971 177.6135 120 T 3.9192 8.4303 116.1700 66.2387 68.4174 175.0225 121 D 4.6606 8.0169 118.0276 52.9438 40.2120 176.4496 122 A 4.1879 7.7995 124.2744 52.7513 18.9878 178.3112 123 T 4.1990 8.5691 114.1867 60.2312 72.1713 175.7597 124 L 3.7317 7.9791 120.9546 58.0178 41.9240 178.4908 125 D 4.2439 7.8478 118.6166 57.2930 40.9079 177.9162 126 D 4.4893 7.8189 118.8617 57.6894 40.8746 179.1277 127 I 3.6264 7.4362 119.6848 64.2548 36.8132 178.4988 128 K 3.8356 8.2470 118.2817 59.6294 32.3264 178.8166 129 E 4.4038 8.2754 119.9119 58.6779 29.1922 179.2192 130 W 4.2535 8.2797 127.0944 60.5238 31.2660 177.5195 131 L 4.0883 8.5119 117.3112 55.6713 40.6797 178.6254 132 E 3.8396 7.6102 119.8455 59.5688 29.5120 178.9627 133 D 4.8078 7.8337 114.3730 54.1403 41.0786 177.0213 134 K 4.3988 7.6697 116.6813 55.7334 32.5838 175.9633 135 G 4.2729 8.1551 105.9151 43.4802 0.0000 173.7455 136 Q 4.0934 8.8699 122.1010 55.9894 30.1842 174.8817 137 V 4.4052 8.2459 125.9127 61.2391 33.2068 174.8403 138 L 4.4927 8.9357 127.6284 56.0201 43.1425 176.5229 139 N 4.9960 7.4153 115.8116 52.1266 42.6538 173.2636 140 I 4.6317 8.2052 125.5753 59.9324 39.9588 174.3652 141 Q 4.6620 8.9448 130.8340 54.2855 32.5465 173.6376 *143 R 4.5570 8.2838 115.9027 56.4312 31.5908 175.4110 144 R 5.1578 8.5285 121.4802 54.1264 33.9397 175.4251 145 T 4.1789 8.5813 111.2382 61.3473 69.3629 175.4061 146 L 4.2093 8.3397 121.0797 56.9729 41.6064 177.6507 147 H 4.7693 7.8698 114.9631 55.2650 28.9122 175.6234 148 K 3.9964 8.6728 117.9822 56.8363 29.8935 175.8314 149 A 4.3586 7.6648 122.1238 51.0708 19.4086 177.5469 150 F 4.9353 8.6849 124.6943 58.2920 39.8966 175.6305 151 K 3.8217 8.6353 128.3420 57.7336 32.2546 178.2594 152 G 3.3228 6.0479 106.4674 44.2477 0.0000 172.4182 153 S 5.1343 6.8031 112.6501 56.2735 66.2544 173.0170 154 I 4.6894 8.3167 113.8252 59.4799 41.6897 173.5389 155 F 5.4958 8.5602 120.9477 55.8523 41.7343 175.0949 156 V 4.6751 8.9959 122.1640 61.0207 34.8412 174.1451 157 V 4.6039 8.2409 127.4436 61.3356 33.1201 175.0078 158 F 4.8472 8.8382 127.0102 56.1991 40.1506 175.7235 159 D 4.7217 8.7018 120.5805 57.2642 41.7372 176.4715 160 S 4.7884 7.9757 110.5763 55.5529 66.2202 174.6876 161 I 3.7916 8.5875 122.2736 64.7161 36.7732 178.0649 162 E 4.0694 8.3088 118.7530 59.8764 29.2324 179.3907 163 S 3.9796 7.8903 114.2584 61.5892 62.9666 176.5130 164 A 2.8956 7.5800 122.9915 55.0646 18.1362 179.8098 165 K 4.1024 8.8769 117.3224 59.4822 31.9086 179.2078 166 K 3.7924 8.2205 119.0561 59.6325 32.2995 177.8544 167 F 4.1448 8.1559 120.7223 61.7728 39.0166 177.4310 168 V 3.2950 7.8568 116.7713 65.6820 31.3881 177.1306 169 E 4.3275 7.9284 115.5872 56.2443 29.6618 176.7550 170 T 4.0672 7.0099 117.5203 62.5846 68.3621 172.9350 171 P 4.4415 0.0000 0.0000 64.2151 32.1970 178.4591 172 G 3.6507 8.0356 107.4881 48.1648 0.0000 173.9982 173 Q 4.2533 7.7698 119.6189 55.8552 29.0672 175.5153 174 K 4.6742 8.6981 121.5363 54.6460 35.9876 175.1139 175 Y 4.3747 8.2603 123.0454 56.3811 40.4997 177.7655 176 K 3.6577 8.3889 129.2651 57.8353 31.2720 177.4018 177 E 4.2914 9.2628 128.0377 58.3979 30.7254 176.3141 178 T 4.2740 7.6531 109.8758 60.4786 69.9123 174.2251 179 D 4.6759 8.4726 124.8070 54.2912 41.6339 175.3402 180 L 4.7093 7.6929 122.0831 52.7141 44.3199 175.9898 181 L 4.2485 8.3168 125.7895 54.6775 43.1881 175.4353 182 I 4.9326 8.3990 127.2677 59.6619 39.4185 174.9566 183 L 5.0284 9.2411 127.0306 52.3431 46.1199 176.6237 184 F 4.4807 8.8158 119.9262 57.4596 39.7666 176.4400 185 K 4.0528 9.1989 126.0362 59.7803 32.3020 178.3846 186 D 4.3974 8.4207 117.4054 57.4419 40.6699 177.4392 187 D 4.4916 7.9557 115.4286 54.4904 41.5448 175.7193 188 Y 4.2679 7.1051 120.6549 55.9983 39.8783 175.1761 189 F 4.0918 7.4924 123.8935 57.5319 39.8828 174.7359 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 7 N 8.42 4.76 0.00 2.73 2.94 0.00 0.00 6.97 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.11 3.92 0.00 2.11 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 2.40 2.39 0.00 9 K 8.40 4.00 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.44 7.81 *11 A 8.13 4.19 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 12 A 8.02 4.09 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 13 L 7.95 3.88 0.00 1.92 1.67 0.93 1.00 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 14 E 8.20 3.93 0.00 2.04 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 2.41 2.39 0.00 15 A 7.96 3.87 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 16 K 7.82 3.90 0.00 2.01 1.88 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 I 8.05 3.69 2.02 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 1.56 0.74 0.94 0.00 0.00 18 C 8.14 4.06 0.00 3.02 3.08 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 0.00 19 H 8.09 4.27 0.00 3.31 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.31 3.79 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.12 0.00 21 I 7.76 4.00 1.90 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 1.67 0.66 0.99 0.00 0.00 22 E 8.30 4.07 0.00 2.09 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 2.36 2.32 0.00 23 Y 8.08 4.09 0.00 3.12 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 24 Y 7.32 4.63 0.00 3.16 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 25 F 8.27 4.69 0.00 3.11 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 26 G 7.66 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 0.00 0.00 0.00 27 D 8.55 4.26 0.00 2.18 2.32 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 28 F 7.93 4.57 0.00 3.04 3.20 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 29 N 7.81 4.61 0.00 2.13 2.77 0.00 0.00 6.86 6.66 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 30 L 7.99 3.92 0.00 1.86 1.67 0.76 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.18 0.00 2.04 2.03 0.00 3.61 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 2.05 1.97 0.00 32 R 7.61 4.36 0.00 1.95 2.04 0.00 3.11 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 1.62 1.61 0.00 33 D 7.85 4.69 0.00 2.93 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 34 K 8.32 3.81 0.00 1.87 1.83 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.52 7.81 35 F 8.13 4.07 0.00 3.07 3.04 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 0.00 0.00 0.00 36 L 8.40 3.80 0.00 1.99 1.58 0.61 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.29 3.78 0.00 1.88 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.68 7.81 38 E 8.03 3.97 0.00 2.04 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 2.16 2.28 0.00 39 Q 7.47 3.89 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 1.61 2.19 0.00 40 I 7.60 3.94 2.06 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 1.82 0.94 0.89 0.00 0.00 41 K 7.48 4.14 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 42 L 7.44 4.16 0.00 1.62 1.74 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.75 4.70 0.00 2.77 2.81 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 44 E 9.22 3.93 0.00 2.33 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 2.25 2.37 0.00 45 G 8.05 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 0.00 0.00 0.00 46 W 7.42 4.74 0.00 3.24 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 47 V 9.44 4.52 2.33 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 1.08 0.00 0.00 1.14 0.00 0.00 48 P 0.00 4.72 0.00 2.13 2.05 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 49 L 8.54 3.86 0.00 0.40 0.68 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.80 4.42 0.00 2.25 2.38 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 2.33 2.36 0.00 51 I 7.44 4.25 2.15 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.81 87 T 7.49 4.30 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 88 K 7.72 5.15 0.00 1.88 1.83 0.00 1.12 0.00 0.00 1.45 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 1.17 7.81 89 I 8.79 5.62 1.77 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 1.30 0.78 0.90 0.00 0.00 90 R 8.26 4.62 0.00 1.40 1.30 0.00 2.28 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 91 R 8.16 3.95 0.00 1.89 1.86 0.00 3.45 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 92 S 9.38 4.05 0.00 3.91 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 93 P 0.00 4.15 0.00 2.14 2.07 0.00 3.72 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 94 S 7.60 4.47 0.00 3.92 3.97 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 95 K 7.77 4.52 0.00 1.77 1.71 0.00 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0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.55 7.81 129 E 8.28 4.40 0.00 2.36 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 2.35 2.47 0.00 130 W 8.28 4.25 0.00 3.73 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.51 4.09 0.00 1.88 1.59 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.61 3.84 0.00 2.15 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 2.32 2.48 0.00 133 D 7.83 4.81 0.00 2.55 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 0.00 134 K 7.67 4.40 0.00 1.76 1.92 0.00 1.13 0.00 0.00 1.53 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.11 7.81 135 G 8.16 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 0.00 0.00 0.00 0.00 136 Q 8.87 4.09 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 137 V 8.25 4.41 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 0.54 0.00 0.00 0.43 0.00 0.00 138 L 8.94 4.49 0.00 1.01 1.56 1.15 1.22 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 0.00 139 N 7.42 5.00 0.00 2.27 2.23 0.00 0.00 7.01 7.83 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 0.00 140 I 8.21 4.63 1.65 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.68 0.00 0.00 141 Q 8.94 4.66 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 *143 R 8.28 4.56 0.00 1.85 1.87 0.00 2.21 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 144 R 8.53 5.16 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 145 T 8.58 4.18 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 1.26 0.00 0.00 146 L 8.34 4.21 0.00 1.59 1.75 0.92 1.07 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 0.00 147 H 7.87 4.77 0.00 3.11 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.67 4.00 0.00 1.91 2.00 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.40 7.81 149 A 7.66 4.36 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 0.00 150 F 8.68 4.94 0.00 2.80 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 0.00 151 K 8.64 3.82 0.00 1.66 1.67 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.35 7.81 152 G 6.05 3.32 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 0.00 153 S 6.80 5.13 0.00 3.35 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.69 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.77 0.00 0.00 155 F 8.56 5.50 0.00 3.13 2.94 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 0.00 156 V 9.00 4.68 1.89 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 0.19 0.00 0.00 0.77 0.00 0.00 157 V 8.24 4.60 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 0.77 0.00 0.00 0.79 0.00 0.00 158 F 8.84 4.85 0.00 3.14 2.95 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 0.00 159 D 8.70 4.72 0.00 2.76 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 0.00 160 S 7.98 4.79 0.00 4.23 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 0.00 161 I 8.59 3.79 1.90 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 1.67 0.90 0.96 0.00 0.00 162 E 8.31 4.07 0.00 2.06 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 2.50 0.00 163 S 7.89 3.98 0.00 3.79 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 0.00 164 A 7.58 2.90 1.55 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 0.00 0.00 165 K 8.88 4.10 0.00 2.05 2.13 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.77 1.81 7.81 166 K 8.22 3.79 0.00 1.82 1.91 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 167 F 8.16 4.14 0.00 2.87 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 0.00 168 V 7.86 3.29 1.71 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 0.71 0.00 0.00 0.42 0.00 0.00 169 E 7.93 4.33 0.00 2.02 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 2.38 2.46 0.00 170 T 7.01 4.07 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 1.15 0.00 0.00 171 P 0.00 4.44 0.00 2.19 2.27 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 172 G 8.04 3.65 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 0.00 0.00 0.00 173 Q 7.77 4.25 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 174 K 8.70 4.67 0.00 1.77 1.86 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.40 7.81 175 Y 8.26 4.37 0.00 2.19 2.45 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 0.00 176 K 8.39 3.66 0.00 1.79 1.08 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.05 0.55 7.81 177 E 9.26 4.29 0.00 1.94 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 2.25 2.27 0.00 178 T 7.65 4.27 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 1.19 0.00 0.00 179 D 8.47 4.68 0.00 2.65 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 0.00 180 L 7.69 4.71 0.00 1.46 1.32 0.23 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.32 4.25 0.00 1.81 1.55 0.98 1.10 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 0.00 182 I 8.40 4.93 1.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.82 0.00 0.00 183 L 9.24 5.03 0.00 1.76 1.66 1.04 0.94 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 0.00 184 F 8.82 4.48 0.00 3.26 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 0.00 185 K 9.20 4.05 0.00 1.95 1.88 0.00 1.29 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.36 1.32 7.81 186 D 8.42 4.40 0.00 2.74 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 0.00 187 D 7.96 4.49 0.00 2.88 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 0.00 188 Y 7.11 4.27 0.00 2.49 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 F 7.49 4.09 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.