NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4779 8.2629 118.7932 53.9144 34.0175 177.7072 2 Q 3.9206 7.9782 121.7370 60.0766 28.1152 181.3057 3 L 4.1157 8.6468 122.9665 58.1736 42.6948 178.4550 4 L 3.9877 7.9135 118.2523 58.1288 41.6347 179.6867 5 S 4.2519 8.3304 115.0748 61.5470 62.7323 177.0676 6 G 3.8683 8.2814 109.9673 47.2174 0.0000 175.9318 7 I 3.8578 8.1897 122.6274 64.1525 36.7410 178.6603 8 V 3.5829 7.8011 119.0944 66.1485 31.4080 177.9079 9 Q 3.9756 8.2064 119.1815 59.0420 28.5710 177.7622 10 Q 4.0827 8.0771 120.4131 58.4861 29.0956 177.9409 11 Q 3.9999 7.8520 119.2544 58.9290 28.6999 178.0368 12 N 4.3351 7.9246 117.6689 56.5108 38.9795 176.5353 13 N 4.3004 8.2405 117.9931 56.5290 38.7126 177.3492 14 L 3.9903 7.9113 120.1264 57.6082 41.6314 179.2789 15 L 3.9667 7.8809 120.2459 58.3487 42.0859 179.3075 16 R 3.9208 8.2675 117.8299 59.0633 29.8722 178.9757 17 A 4.0101 8.0221 120.6641 55.2927 18.3669 179.7962 18 I 3.6559 7.9083 118.3969 64.3310 37.2248 178.1978 19 E 3.8957 8.4964 120.2187 59.3252 29.4586 178.8849 20 A 4.1763 7.9759 120.6654 55.0553 18.4097 179.0829 21 Q 3.8897 8.2859 118.3792 59.5763 29.1646 178.5497 22 Q 3.9042 8.2072 120.3327 59.6973 29.1424 178.3132 23 H 3.9343 7.8868 116.4659 58.5830 28.6585 177.4144 24 L 3.8038 7.6409 122.1067 58.2638 41.8634 179.0460 25 L 4.0632 8.1696 118.9912 58.0024 41.5255 179.6029 26 Q 4.1017 8.0114 117.5467 58.8277 28.6015 178.7151 27 L 4.2731 7.8221 120.1103 57.8729 41.8028 179.4985 28 T 4.4455 8.2073 109.9212 64.6642 68.8182 177.1036 29 V 3.6840 8.0357 121.4025 65.4328 31.5084 177.6977 30 W 4.0992 8.5243 128.3198 60.5271 30.6008 177.8625 31 G 3.4347 8.5114 105.5912 48.1182 0.0000 175.5938 32 I 3.7944 7.7405 121.7419 63.7336 37.1528 178.3355 33 K 3.7912 7.8797 120.5445 59.6752 31.9467 178.8902 34 Q 3.6398 7.6313 118.2323 58.7051 28.4483 178.6605 35 L 3.9758 7.8359 120.0880 57.8533 41.6027 179.4214 36 Q 3.9121 8.0719 119.3098 59.0176 29.0892 177.9559 37 A 3.9396 7.9994 121.8676 55.2512 18.1250 179.8777 38 R 3.9235 7.6205 115.7221 59.1651 30.2123 178.9439 39 I 3.8474 7.4116 111.9035 63.6171 37.7001 177.6851 40 L 4.0224 7.9299 121.4903 57.8667 41.9029 178.5862 41 A 4.0336 7.5769 119.7854 54.8728 18.5351 177.5268 *42 G 3.7651 7.7556 106.6956 45.6004 0.0000 172.2041 *49 T 4.4012 7.9990 110.2755 61.5260 71.0458 176.0621 50 W 4.3422 8.3090 121.6944 59.7360 29.0586 178.1271 51 M 4.2036 8.3871 118.3554 58.6263 31.4523 178.2854 52 E 3.9572 8.2346 118.8846 58.6475 29.7706 178.5487 53 W 3.8078 8.1145 128.5589 60.4516 30.7378 177.3243 54 D 4.3752 8.6931 119.1054 57.9082 40.3042 179.6384 55 R 3.8829 7.7545 118.1048 59.3078 30.0215 179.1019 56 E 3.9550 8.0450 118.3629 59.2675 29.4436 179.3835 57 I 3.4615 7.5328 120.0928 64.4350 37.0862 178.2828 58 N 4.3323 8.2681 117.4972 56.3177 38.4298 177.3045 59 N 4.2347 8.3378 118.0934 56.4269 38.5172 176.9332 60 Y 4.0691 8.0239 117.8238 60.5448 38.1345 178.0361 61 T 3.8921 7.9830 116.9106 66.8676 68.6070 176.6624 62 S 4.1029 8.0285 116.9016 61.4394 62.8183 176.6188 63 L 3.8946 7.7052 122.7060 58.3387 41.8552 179.1702 64 I 3.8034 8.1258 120.0745 64.3369 36.9582 177.7843 65 H 4.0497 8.2883 119.5973 59.4578 29.7159 177.5230 66 S 4.2252 8.1515 115.8022 61.2432 62.8682 176.4062 67 L 4.0603 7.9130 122.8263 57.4693 41.3174 179.3581 68 I 3.6873 8.1799 120.3016 64.2261 37.0495 177.8757 69 E 3.8799 8.2274 120.2076 59.4619 29.4574 178.5628 70 E 3.9443 8.2215 119.1237 59.4588 29.6220 178.9986 71 S 4.4270 8.1944 116.6074 61.0289 62.8573 176.6360 72 Q 3.9866 8.4220 121.2295 59.0981 28.5822 178.6331 73 N 4.3776 8.1868 117.5591 56.2310 38.5739 177.3744 74 Q 3.9886 8.2683 121.1544 58.9378 29.0315 177.9149 75 Q 3.9349 8.3015 120.9136 59.0849 29.1040 177.7666 76 E 3.9049 8.2725 120.2963 59.3609 29.6591 179.0006 77 K 3.9820 7.9249 117.9554 59.5714 32.0043 179.1976 78 N 4.3691 8.3308 116.7689 56.2837 38.1461 177.3306 79 E 3.9680 8.4403 120.2946 59.3802 29.3070 179.2878 80 Q 3.9628 7.8557 118.5176 59.3568 29.2783 177.8055 81 E 4.0898 8.0778 118.2837 59.1960 29.4955 178.6557 82 L 4.0868 8.0542 120.1262 58.1917 42.1442 178.9162 83 L 4.0417 7.4987 120.0118 58.0939 41.8724 177.5283 *84 E 4.3233 7.8996 115.3867 55.7339 33.1183 177.9279 *89 G 4.1131 7.8746 110.6916 45.7612 0.0000 178.2641 90 Q 4.0734 8.9454 129.3702 59.4205 27.6172 177.8886 91 L 4.1085 7.8167 120.1840 58.5423 42.2294 178.8103 92 L 3.9543 7.8553 118.3576 57.8853 41.6205 179.2928 93 S 4.1673 8.0225 112.6599 61.4088 62.3125 176.4944 94 G 3.9474 8.4227 110.1199 47.2798 0.0000 175.8272 95 I 3.7236 7.9535 122.4004 64.1728 37.1801 178.6040 96 V 3.5815 7.9790 119.2915 66.1819 31.2727 177.8863 97 Q 3.9979 8.1621 119.2505 59.0452 28.3451 177.8047 98 Q 3.9987 8.2092 120.6365 58.7550 29.0036 178.0675 99 Q 4.0197 8.0687 119.5270 58.7696 28.6569 177.9316 100 N 4.2830 8.2074 118.1095 56.6961 38.9823 176.6154 101 N 4.3080 8.3119 117.8593 56.4079 38.7120 177.4083 102 L 3.9811 7.8860 120.2831 57.6154 41.6314 179.1880 103 L 3.9576 8.0648 120.3262 58.4376 41.9295 179.3335 104 R 4.1953 8.5554 119.1659 58.6753 29.8793 178.9280 105 A 4.0022 8.2109 120.6596 55.0864 18.2597 179.8491 106 I 3.6582 7.8929 118.2773 64.5238 36.7856 178.2692 107 E 3.9418 8.4923 119.5794 59.5546 29.3736 179.4123 108 A 4.2350 8.2611 120.6282 55.4319 18.4668 179.7279 109 Q 3.9803 8.4748 116.9243 59.1137 28.7056 178.6985 110 Q 4.0165 8.4353 120.9543 59.4619 28.9623 177.9857 111 H 4.0529 8.1195 118.8187 59.0314 29.7979 176.9592 112 L 3.7755 7.9159 122.1712 58.1218 41.8133 178.9969 113 L 4.0385 8.3039 119.3487 57.9748 41.5649 179.5518 114 Q 4.0684 8.3637 118.1574 58.7802 28.5900 178.7419 115 L 4.1545 8.1124 120.6684 58.0377 41.6408 179.6167 116 T 4.3408 8.3897 110.0000 64.9561 68.6703 176.7296 117 V 3.9110 8.3610 121.3101 65.5738 31.5682 177.8173 118 W 4.2048 8.6659 128.3859 60.3863 30.5434 178.1404 119 G 3.3711 8.7628 105.7338 47.8805 0.0000 175.6706 120 I 3.7778 7.9944 122.3820 64.0927 37.1147 178.7747 121 K 4.1077 8.0338 119.3168 59.2680 31.7246 179.4932 122 Q 3.5607 7.3713 118.2518 58.9331 28.6938 178.6012 123 L 3.8916 7.9018 119.9575 58.1147 41.2364 179.6055 124 Q 3.5440 7.8861 119.0119 58.8518 28.6481 178.0592 125 A 3.7508 7.4373 122.1534 54.9414 18.5701 178.7506 126 R 4.0901 7.4958 113.9353 58.1191 30.4133 177.3344 127 I 4.2968 7.1762 117.4210 61.0012 37.4689 176.0516 128 L 4.1552 7.1641 123.6534 56.3443 43.1353 177.5903 *138 W 5.0910 7.7351 116.9944 56.9803 31.4155 177.4744 139 M 4.2825 8.2926 117.9401 58.2210 31.4915 178.1402 140 E 3.9155 8.1991 119.0480 58.9225 29.8574 177.9500 141 W 4.0325 8.2221 127.9355 60.8443 30.4724 177.0018 142 D 4.3654 8.6633 118.4221 57.8102 40.4140 179.4382 143 R 3.8721 7.9513 118.4627 59.4235 30.0830 178.4398 144 E 4.0063 8.2507 118.4725 59.3227 29.4630 179.1974 145 I 3.4635 7.5123 120.0813 64.4598 37.0907 178.2649 146 N 4.3166 8.2423 117.2936 56.2357 38.3761 177.2291 147 N 4.2294 8.2310 117.8535 56.7461 38.6131 177.1909 148 Y 3.7246 8.1459 117.9134 60.9368 37.9108 178.4612 149 T 3.7692 8.0359 116.8873 66.6228 68.6665 176.7811 150 S 4.0283 8.0240 117.0002 61.3873 62.8072 176.3318 151 L 3.8333 7.7130 122.8361 58.4250 41.7036 179.1313 152 I 3.6917 7.9253 119.7365 64.6869 36.9972 178.0274 153 H 4.2271 8.1921 116.9951 59.2634 28.4835 178.0606 154 S 4.1683 8.0509 116.4687 61.4193 62.5209 176.7870 155 L 3.9969 8.1954 122.0129 57.6825 41.3962 179.4858 156 I 3.6933 8.0854 120.1668 64.2480 37.0661 178.0581 157 E 4.1630 8.2563 121.4531 58.8464 29.4735 178.4380 158 E 3.9551 8.3852 119.4474 59.4739 29.6033 178.9756 159 S 4.3775 8.3645 116.8800 61.1006 62.9791 176.6779 160 Q 3.9954 8.2217 120.7997 58.9402 28.4383 178.6098 161 N 4.4205 8.2274 117.4670 56.4346 38.5599 177.2295 162 Q 3.9768 8.2488 121.0474 59.2206 29.0674 178.2261 163 Q 3.9424 8.2980 120.6854 59.0223 29.1087 177.9812 164 E 3.9182 8.1636 119.6190 59.3014 29.5637 178.8623 165 K 3.8142 7.9400 119.6050 59.9927 32.0193 178.3171 166 N 4.4819 8.4536 116.5909 56.4866 38.2384 177.3570 167 E 4.0078 8.1210 118.9115 59.4387 29.3659 179.1478 168 Q 4.1468 8.2714 118.2732 58.8681 28.2614 178.4544 169 E 4.0318 8.2791 119.6984 59.1719 29.2031 179.3113 170 L 4.0626 7.5327 118.6103 57.5526 41.6935 178.4999 171 L 4.1534 7.5712 117.5916 56.4422 41.8447 176.3351 172 E 4.2945 7.6554 115.4287 57.2750 31.6581 175.7880 *173 G 3.7830 7.8313 108.5718 45.3642 0.0000 173.6632 *176 G 3.7267 7.9871 109.2314 46.3139 0.0000 174.8747 177 G 3.7179 7.6665 117.5039 47.7295 0.0000 172.9787 178 Q 4.7411 8.3670 122.0623 54.8798 29.9612 177.0000 179 L 3.9242 7.8768 120.5649 58.2542 42.2038 178.6379 180 L 4.0713 7.8253 118.6893 57.6340 41.6368 179.5426 181 S 4.2762 8.1151 113.9988 61.3045 62.9201 176.7152 182 G 3.5891 8.1252 109.4333 47.7137 0.0000 175.8645 183 I 3.7713 7.7253 122.0794 63.9734 37.1432 178.7185 184 V 3.5892 7.8899 119.2582 65.8795 31.2330 177.8667 185 Q 3.9241 8.1484 119.3223 59.3694 28.8775 178.1388 186 Q 4.0095 8.2336 120.4635 59.2020 28.9329 178.2025 187 Q 3.9756 8.2778 119.3836 58.7143 28.7283 177.9250 188 N 4.2619 8.1360 118.1496 56.7366 38.9252 176.4382 189 N 4.3880 7.9848 118.2635 56.2644 39.0237 177.1061 190 L 3.9476 8.1094 120.8724 57.6418 41.6939 179.0085 191 L 3.9409 8.1766 120.6273 58.1756 41.9896 178.8068 192 R 3.8420 8.1181 118.3427 59.6312 29.9742 178.3849 193 A 4.0352 8.0715 120.3732 54.9314 18.2319 179.7870 194 I 3.6670 7.7600 118.5476 64.5190 37.2321 178.2687 195 E 3.9378 8.4575 119.5139 59.5769 29.3607 179.4099 196 A 4.0083 8.1074 120.5434 55.2833 18.3253 179.7234 197 Q 3.9673 8.2523 116.6217 59.0962 28.7016 178.7702 198 Q 3.9263 8.4048 121.0819 59.1726 28.9883 177.4986 199 H 3.9376 8.2646 119.4036 59.3618 29.8641 176.9902 200 L 3.9625 7.7982 121.4581 57.6313 42.0381 178.2576 201 L 3.8885 8.1600 120.8308 58.5088 42.0203 178.9119 202 Q 3.7872 8.2839 119.5092 58.9403 28.8055 178.0586 203 L 3.7364 7.4026 121.5147 58.0429 42.0645 179.0264 204 T 4.0625 7.9005 109.9917 64.5029 68.6686 176.9587 205 V 3.8447 7.8088 120.9611 65.8302 31.6509 177.9786 206 W 4.6268 8.3008 118.9006 59.9152 28.9226 178.7875 207 G 3.7235 8.4603 105.6991 47.9663 0.0000 175.9207 208 I 3.8953 8.2593 122.4146 64.0800 37.2088 178.7234 209 K 4.1847 8.7081 119.6386 59.4571 31.7457 179.5047 210 Q 3.9893 8.1997 118.4916 58.8437 28.5335 178.6619 211 L 3.9074 7.8731 119.9733 57.6135 41.6495 179.0301 212 Q 3.3957 8.2202 119.7517 59.1603 28.5923 178.5149 213 A 3.8673 7.4433 119.8961 55.2843 18.4592 179.3373 214 R 3.9042 7.4001 115.7982 59.2830 30.1653 178.3607 215 I 3.9198 7.1943 118.6819 63.6550 37.4321 176.4115 216 L 4.1970 7.5409 123.2774 54.9892 41.5679 176.8232 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 *1 M 8.26 4.48 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.11 0.00 2 Q 7.98 3.92 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 3 L 8.65 4.12 0.00 1.70 1.69 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.91 3.99 0.00 1.72 1.71 0.92 0.90 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 5 S 8.33 4.25 0.00 4.05 3.91 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 0.00 0.00 0.00 6 G 8.28 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 7 I 8.19 3.86 1.99 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 1.18 0.91 0.00 0.00 8 V 7.80 3.58 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 0.99 0.00 0.00 0.97 0.00 0.00 9 Q 8.21 3.98 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 10 Q 8.08 4.08 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 11 Q 7.85 4.00 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 12 N 7.92 4.34 0.00 2.77 3.14 0.00 0.00 7.23 6.37 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 13 N 8.24 4.30 0.00 3.05 2.87 0.00 0.00 7.03 6.11 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 14 L 7.91 3.99 0.00 1.71 1.72 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.88 3.97 0.00 1.79 1.81 0.93 1.01 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 16 R 8.27 3.92 0.00 2.01 1.98 0.00 3.35 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 17 A 8.02 4.01 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 18 I 7.91 3.66 2.00 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 1.41 0.62 0.98 0.00 0.00 19 E 8.50 3.90 0.00 2.15 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 2.42 2.38 0.00 20 A 7.98 4.18 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 21 Q 8.29 3.89 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 22 Q 8.21 3.90 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 23 H 7.89 3.93 0.00 2.82 2.31 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.64 3.80 0.00 1.91 1.72 0.94 0.63 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 25 L 8.17 4.06 0.00 1.95 1.71 0.97 1.22 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 26 Q 8.01 4.10 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 27 L 7.82 4.27 0.00 1.91 1.74 0.69 0.25 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 28 T 8.21 4.45 4.47 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 1.41 0.00 0.00 29 V 8.04 3.68 2.34 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 1.05 0.00 0.00 1.02 0.00 0.00 30 W 8.52 4.10 0.00 3.58 3.45 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 31 G 8.51 3.43 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 0.00 32 I 7.74 3.79 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 0.95 0.00 0.00 33 K 7.88 3.79 0.00 1.89 1.60 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.41 7.81 34 Q 7.63 3.64 0.00 1.65 1.79 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 1.16 1.16 0.00 35 L 7.84 3.98 0.00 1.86 1.66 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.07 3.91 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 37 A 8.00 3.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.93 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 61 T 7.98 3.89 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 1.23 0.00 0.00 62 S 8.03 4.10 0.00 3.97 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 63 L 7.71 3.89 0.00 1.73 1.83 0.89 0.93 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 64 I 8.13 3.80 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.94 0.00 0.00 65 H 8.29 4.05 0.00 3.34 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.15 4.23 0.00 4.13 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 0.00 67 L 7.91 4.06 0.00 1.90 1.76 0.95 0.88 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 68 I 8.18 3.69 1.88 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 1.40 0.80 0.88 0.00 0.00 69 E 8.23 3.88 0.00 2.15 2.12 0.00 0.00 0.00 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 2.33 0.00 70 E 8.22 3.94 0.00 2.14 2.06 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 2.31 2.40 0.00 71 S 8.19 4.43 0.00 4.01 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 72 Q 8.42 3.99 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 73 N 8.19 4.38 0.00 2.88 2.86 0.00 0.00 6.68 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 74 Q 8.27 3.99 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 75 Q 8.30 3.93 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 76 E 8.27 3.90 0.00 2.08 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 123 L 7.90 3.89 0.00 1.79 1.64 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.89 3.54 0.00 1.69 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 125 A 7.44 3.75 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 0.00 126 R 7.50 4.09 0.00 1.67 1.92 0.00 3.27 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 127 I 7.18 4.30 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.79 0.00 0.00 128 L 7.16 4.16 0.00 1.53 1.55 0.61 0.89 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 *138 W 7.74 5.09 0.00 3.57 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 M 8.29 4.28 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.70 0.00 140 E 8.20 3.92 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 141 W 8.22 4.03 0.00 2.93 3.41 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 0.00 142 D 8.66 4.37 0.00 3.30 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 0.00 143 R 7.95 3.87 0.00 2.09 2.04 0.00 3.25 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 144 E 8.25 4.01 0.00 2.12 1.81 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 2.38 2.49 0.00 145 I 7.51 3.46 1.54 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 -0.36 0.68 0.00 0.00 146 N 8.24 4.32 0.00 2.76 2.85 0.00 0.00 7.08 7.40 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 0.00 147 N 8.23 4.23 0.00 2.92 2.69 0.00 0.00 7.07 7.07 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 0.00 148 Y 8.15 3.72 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 0.00 149 T 8.04 3.77 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 1.05 0.00 0.00 150 S 8.02 4.03 0.00 4.04 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 0.00 151 L 7.71 3.83 0.00 1.58 1.67 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 I 7.93 3.69 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.95 0.00 0.00 153 H 8.19 4.23 0.00 3.33 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.05 4.17 0.00 4.01 3.89 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 0.00 155 L 8.20 4.00 0.00 1.81 1.71 0.92 0.66 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 0.00 156 I 8.09 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 1.42 1.06 0.91 0.00 0.00 157 E 8.26 4.16 0.00 2.10 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 2.30 2.17 0.00 158 E 8.39 3.96 0.00 2.19 2.06 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 2.30 2.40 0.00 159 S 8.36 4.38 0.00 3.99 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 0.00 160 Q 8.22 4.00 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 161 N 8.23 4.42 0.00 2.90 2.86 0.00 0.00 6.67 6.84 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 0.00 162 Q 8.25 3.98 0.00 2.26 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 163 Q 8.30 3.94 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 164 E 8.16 3.92 0.00 2.21 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 2.33 2.40 0.00 165 K 7.94 3.81 0.00 2.04 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.51 7.81 166 N 8.45 4.48 0.00 2.89 2.85 0.00 0.00 7.11 7.90 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 0.00 167 E 8.12 4.01 0.00 2.07 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 0.00 2.34 2.45 0.00 168 Q 8.27 4.15 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 169 E 8.28 4.03 0.00 2.03 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 2.42 2.46 0.00 170 L 7.53 4.06 0.00 1.76 1.73 0.92 1.08 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 0.00 171 L 7.57 4.15 0.00 1.76 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.66 4.29 0.00 1.91 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 0.00 2.20 2.21 0.00 *173 G 7.83 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *176 G 7.99 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 0.00 177 G 7.67 3.72 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 0.00 0.00 0.00 178 Q 8.37 4.74 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.71 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 179 L 7.88 3.92 0.00 1.75 1.83 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.83 4.07 0.00 1.75 1.69 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 181 S 8.12 4.28 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.13 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 0.00 0.00 0.00 183 I 7.73 3.77 2.01 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 0.89 0.91 0.00 0.00 184 V 7.89 3.59 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 0.99 0.00 0.00 0.95 0.00 0.00 185 Q 8.15 3.92 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 186 Q 8.23 4.01 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 187 Q 8.28 3.98 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 188 N 8.14 4.26 0.00 2.79 2.98 0.00 0.00 6.81 6.63 0.00 0.00 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 N 7.98 4.39 0.00 2.84 2.90 0.00 0.00 7.20 7.96 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 0.00 190 L 8.11 3.95 0.00 1.87 1.70 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.18 3.94 0.00 1.73 1.90 0.96 1.03 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 0.00 192 R 8.12 3.84 0.00 2.05 2.09 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 193 A 8.07 4.04 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 0.00 194 I 7.76 3.67 2.02 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 1.67 0.70 0.98 0.00 0.00 195 E 8.46 3.94 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 196 A 8.11 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 Q 8.25 3.97 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 198 Q 8.40 3.93 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 199 H 8.26 3.94 0.00 3.36 3.49 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 L 7.80 3.96 0.00 1.93 1.64 0.94 0.80 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 0.00 201 L 8.16 3.89 0.00 1.94 1.63 0.97 0.55 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 0.00 202 Q 8.28 3.79 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 1.92 1.37 0.00 203 L 7.40 3.74 0.00 1.73 1.75 1.04 1.21 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 0.00 204 T 7.90 4.06 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 1.34 0.00 0.00 205 V 7.81 3.84 2.24 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 1.22 0.00 0.00 0.98 0.00 0.00 206 W 8.30 4.63 0.00 3.62 3.13 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 0.00 207 G 8.46 3.72 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 0.00 0.00 0.00 208 I 8.26 3.90 2.38 0.00 0.00 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 1.71 0.89 1.10 0.00 0.00 209 K 8.71 4.18 0.00 2.14 1.99 0.00 1.93 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.86 2.09 7.81 210 Q 8.20 3.99 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 211 L 7.87 3.91 0.00 1.82 1.64 0.96 0.70 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 0.00 212 Q 8.22 3.40 0.00 1.57 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 213 A 7.44 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 0.00 214 R 7.40 3.90 0.00 1.84 2.01 0.00 3.21 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 215 I 7.19 3.92 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.80 0.00 0.00 216 L 7.54 4.20 0.00 1.50 1.50 0.72 0.80 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 * Residues marked with a * may have inaccurate shift predictions.