NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 71 N 4.3018 8.2676 118.0753 52.6383 38.9553 174.6519 72 D 4.4492 8.6923 124.0202 53.2244 39.4961 176.6643 73 W 4.9752 9.0073 116.2463 57.5759 29.3418 177.4279 74 E 4.4108 7.7300 118.1075 56.3813 29.9974 175.9660 75 E 4.1603 7.9374 121.0303 55.1351 30.0258 176.0159 76 P 4.3647 0.0000 0.0000 65.8303 31.3822 178.4807 77 R 3.8353 8.0647 118.1231 58.7924 30.0892 176.6195 78 L 4.5733 7.8208 116.1936 54.3052 42.0285 175.9854 79 D 4.5013 7.8181 119.9134 54.4350 41.8434 176.9577 80 I 3.7945 8.8613 127.4164 65.0646 36.9855 177.8075 81 E 4.4177 8.5444 120.9129 58.7644 29.2403 179.7718 82 G 3.5577 8.4148 105.5597 47.8312 0.0000 175.6973 83 F 3.8812 8.3663 120.1164 60.0843 38.9262 177.8082 84 V 3.4883 7.9889 117.7403 65.9135 31.2704 178.1575 85 V 3.4892 7.9423 118.1157 65.9579 31.2740 177.3644 86 D 4.2855 8.1446 117.7153 57.5593 40.6184 177.5423 87 Y 4.0451 8.4204 120.2128 60.8237 38.9032 177.9235 88 F 4.3835 8.9901 119.1035 61.0207 39.0420 177.8095 89 T 4.2204 8.5489 115.4832 66.9877 68.3409 176.0967 90 H 4.1087 8.5410 120.4204 59.3477 29.6567 177.2316 91 R 3.6765 7.9233 119.3936 59.3038 30.1634 178.1699 92 I 3.6905 7.6646 119.5408 64.4844 37.0363 178.5834 93 R 3.9122 7.9899 118.8134 59.3239 29.6647 178.8421 94 Q 3.9812 7.8522 118.2595 58.5620 28.8951 176.8026 95 N 4.7442 7.7991 116.7663 52.5956 40.4340 174.4166 96 G 3.3633 7.8651 105.8376 45.5131 0.0000 174.4621 *98 E 3.9205 7.6954 116.4295 55.6368 30.1687 175.4698 99 W 4.5491 8.8606 135.0000 58.0837 29.7844 176.8071 *100 F 4.4500 8.1059 128.4594 53.3202 36.1498 173.9324 101 G 3.9517 6.5749 108.4582 45.1987 0.0000 171.2061 102 A 2.5945 6.8611 123.8589 49.3104 19.0044 176.2546 103 P 4.1712 0.0000 0.0000 62.5428 31.8302 176.1109 104 G 3.7058 8.0721 108.1167 44.7991 0.0000 173.9744 105 L 4.3788 7.9359 119.8253 52.3754 40.6779 177.2644 106 P 4.6945 0.0000 0.0000 62.5953 30.4052 177.5013 *107 C 4.5710 9.2498 116.7123 58.5955 34.7574 177.7574 108 G 4.0718 8.0487 101.5827 45.5411 0.0000 173.2634 109 V 3.6741 8.0026 118.8860 62.9031 32.1803 175.3987 110 Q 4.6317 8.1681 125.3331 53.0067 31.2300 174.6274 111 P 4.2746 0.0000 0.0000 66.0870 31.3009 177.7243 112 E 4.2435 7.9732 117.2673 59.4604 29.6907 177.9303 113 H 4.1982 7.6072 114.9920 58.8196 28.9827 175.6092 114 E 4.2193 7.8509 120.3852 56.8413 27.7364 177.4091 *117 R 4.8084 7.8166 120.5646 56.4956 32.6872 178.4533 118 V 3.7817 7.6490 114.7785 63.4416 31.2080 177.7259 *120 G 4.0825 8.0635 108.8726 45.5672 0.0000 176.1040 121 T 4.0842 8.3390 116.8323 66.6996 68.5754 176.9584 122 I 3.6610 8.1677 122.0893 64.1251 36.7798 178.3418 123 F 3.9266 8.1548 120.3517 61.0880 39.6541 176.3742 124 E 3.5624 8.4817 118.9066 59.2607 29.3149 178.8467 125 K 3.8506 7.7694 116.9884 59.5254 32.1353 179.2023 126 K 4.0123 7.5602 117.3656 58.5552 32.1813 177.0625 127 H 4.7140 7.6581 116.1226 54.2990 30.3315 175.5391 128 A 3.7354 8.2807 125.5459 55.9747 18.0860 180.2671 129 E 3.8587 7.9257 115.9270 61.4460 29.8540 180.6947 130 N 4.0810 7.8551 117.3369 55.8910 38.4727 177.2818 131 F 4.3519 8.0700 119.1297 60.5440 38.8922 177.3139 132 E 4.2026 7.9652 118.3573 59.7963 29.4902 179.0423 133 T 3.9296 7.7926 115.7187 66.6248 68.4654 176.6181 134 F 4.7617 8.6196 120.0701 60.9464 38.9970 177.1876 135 C 4.3184 8.8251 118.4882 62.6450 31.1664 175.2656 136 E 4.0323 8.2142 119.7873 59.4744 29.5820 178.5331 137 Q 4.2103 8.4895 118.2083 58.9299 28.8114 178.6633 138 L 4.1003 8.3021 120.1698 57.6934 41.4907 179.1747 139 L 4.2186 8.0124 116.9283 56.4270 41.7012 178.2234 140 A 4.3512 7.5982 119.4934 51.7709 19.4672 177.5605 141 V 3.7044 7.2723 118.5737 61.4229 32.1241 173.5691 142 P 4.2882 0.0000 0.0000 64.6017 31.4661 177.1752 143 R 3.8094 8.9754 119.9403 55.7608 28.3360 175.9104 144 I 3.3308 7.9408 118.0044 62.3143 35.0641 174.0564 145 S 4.3408 7.4326 112.8884 58.2702 63.4669 173.6446 146 F 4.4191 8.7312 126.4882 60.5594 40.0213 177.6661 147 S 4.1760 8.1370 117.2718 61.3324 62.6603 174.9265 148 P 4.6287 0.0000 0.0000 65.4589 30.8397 177.7432 149 Y 3.8777 7.6845 119.3778 60.4769 38.6002 177.8183 150 Q 3.6691 7.2977 118.5760 58.7609 28.6163 178.2017 151 D 4.3065 7.7355 120.0518 57.1575 40.7642 178.7469 152 V 3.2713 7.2421 118.6345 65.8370 31.5408 177.9763 153 V 3.1600 7.1104 117.6393 66.0280 31.2594 178.0496 154 R 3.6602 8.0010 118.4477 59.6156 29.9632 178.6048 155 T 3.7929 7.7976 115.5142 66.6216 68.2162 176.8009 156 V 3.6641 7.4800 119.1668 65.9185 31.5361 178.0262 157 G 3.9294 7.7999 104.2972 47.3914 0.0000 174.6615 158 N 4.8704 8.1559 115.5331 51.9876 38.9483 175.0715 159 A 3.9960 7.5265 126.9664 52.3823 18.4878 178.4493 *160 Q 4.1219 8.4627 121.5478 56.4044 28.6659 172.1218 161 T 4.3698 7.8215 112.3197 62.1829 69.9774 172.5560 162 D 4.9128 8.6139 121.5683 53.9766 41.5484 176.8652 163 Q 4.7737 7.6661 119.9635 54.8574 30.8422 174.1658 164 C 3.7870 8.2701 121.4454 59.3078 31.9779 174.1481 165 P 4.1537 0.0000 0.0000 62.6213 30.7833 176.5103 *167 S 3.9510 7.9125 112.6189 58.1174 65.2420 173.0303 168 Y 4.5436 7.6750 118.7250 61.1665 37.5237 179.1459 169 G 3.7596 8.1635 106.1577 48.0768 0.0000 175.8549 170 R 4.0027 7.8891 120.6074 58.5159 30.0463 178.7471 171 L 3.9632 8.1934 120.3218 58.4053 42.1118 179.2269 172 I 3.7981 8.2584 119.9994 64.3238 36.9809 178.6600 173 G 2.6325 8.2152 106.8413 47.4104 0.0000 175.7542 174 L 4.0688 8.2513 121.8230 57.6625 41.6246 179.7318 175 I 4.0137 7.8200 119.8659 64.1818 37.0539 178.4680 176 S 4.1582 8.4145 114.4486 61.4690 62.2618 175.9927 177 F 4.0127 8.7136 123.8238 61.1849 39.0023 177.2212 178 G 3.8064 8.6654 105.6574 47.8352 0.0000 175.9157 179 G 3.3382 8.8133 108.5673 47.1713 0.0000 175.6138 180 F 4.1191 8.3892 122.9898 61.1715 39.2966 177.3496 181 V 3.1527 7.4202 116.3434 65.7228 31.2718 177.3625 182 A 3.6850 7.3312 119.3286 54.8617 18.1414 179.1185 183 A 3.9739 7.3455 117.9581 54.3701 19.4207 179.6511 184 K 4.0271 6.9884 118.5364 56.6865 29.9606 176.9544 *187 E 4.1797 8.1254 120.0794 55.2779 31.8415 175.8775 188 S 4.4897 7.4905 113.7759 55.4668 65.0670 174.0305 189 V 3.8288 8.6429 128.9509 65.6491 31.0057 177.3626 190 E 3.9661 8.2242 116.8252 58.7211 29.6027 177.6789 191 L 4.4358 7.7946 117.5095 55.4758 42.3384 178.3474 192 Q 4.0904 7.7821 118.5087 58.9966 28.4613 179.2059 193 G 3.7670 8.0363 106.0686 47.8873 0.0000 174.9906 194 Q 4.7142 7.7585 119.0932 56.2181 28.6235 178.3673 195 V 3.6155 7.7623 121.2244 65.6415 31.4382 177.8949 196 R 4.2292 7.8799 119.0613 59.3016 29.9170 178.1496 197 N 4.0322 7.9079 115.8336 56.0732 38.4677 176.5135 198 L 4.2112 7.5350 121.5477 58.4792 42.1259 178.8433 199 F 4.4128 8.5514 120.0990 61.4046 39.3826 177.2344 200 V 2.7814 7.6552 117.8187 65.9085 31.2588 177.3044 201 Y 4.1607 8.3780 119.5865 61.0936 38.6993 178.0772 202 T 3.9060 8.2494 116.6852 66.6948 68.4680 176.5599 203 S 4.0522 7.9898 114.8850 61.4570 62.4954 176.2466 204 L 3.9240 7.9943 121.8410 57.4931 41.3512 179.2402 205 F 3.7081 8.1460 120.8856 61.4142 39.3557 177.2778 206 I 3.6469 7.8015 119.3763 64.0414 36.6828 178.3697 207 K 3.7508 7.9408 120.5045 59.7424 31.9434 179.0365 208 T 3.7048 7.5170 115.7537 66.7682 68.1596 177.0454 209 R 3.7217 7.1276 118.3303 59.0447 30.2787 178.9657 210 I 3.1326 7.3033 119.8536 63.7260 36.6805 178.0828 211 R 3.9717 7.1581 118.5573 59.1101 29.8903 177.8453 212 N 5.0022 7.4404 113.2682 52.8513 40.1967 175.2290 213 N 5.0428 7.6824 116.6960 54.6099 45.2675 177.0464 214 W 3.7670 8.1898 120.5756 60.2605 29.4462 179.1031 *215 K 3.9177 8.1055 119.2802 57.8112 31.4321 179.9358 216 E 3.9745 8.4692 119.0658 59.3984 29.3176 177.7499 217 H 4.5333 7.7924 112.6057 56.5402 29.4672 175.7576 218 N 4.1100 7.4270 113.5918 54.7840 36.0696 174.0901 219 R 4.4766 7.7583 118.0694 54.5071 33.4531 176.0144 220 S 4.8811 8.2529 113.6167 57.2426 66.0404 175.8831 221 W 4.4679 9.4070 120.8870 59.8244 29.2302 177.7667 222 D 4.6238 8.6522 117.7667 57.3540 41.0781 176.9067 223 D 4.4496 8.3657 118.8284 57.2793 41.5302 178.0526 224 F 3.3539 8.3639 118.3506 59.3711 39.5819 176.4924 *226 T 4.2932 8.0275 117.0091 63.3063 70.0875 176.3573 227 L 4.2391 7.9690 119.9505 57.4668 41.9275 178.8028 228 G 3.4845 8.0886 107.5349 48.3259 0.0000 174.7859 229 K 4.0518 8.1325 120.9223 59.5780 32.2397 179.6604 230 Q 3.8194 7.5669 113.6014 56.6381 27.8381 178.3283 *232 K 4.2978 8.0735 121.7200 56.5225 34.0971 177.7513 233 E 3.9253 8.1565 118.5253 59.3385 29.6022 178.9354 234 D 4.3544 7.8779 117.7775 57.2094 40.8895 176.9471 235 Y 4.1837 7.6090 114.1376 58.5285 38.5241 175.4052 236 E 4.2684 7.8084 124.4629 56.4948 29.6403 176.0326 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 71 N 8.27 4.30 0.00 2.18 1.42 0.00 0.00 6.75 7.19 0.00 0.00 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 D 8.69 4.45 0.00 3.34 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 73 W 9.01 4.98 0.00 3.37 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 74 E 7.73 4.41 0.00 1.84 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 2.05 1.47 0.00 75 E 7.94 4.16 0.00 2.22 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 2.32 2.32 0.00 76 P 0.00 4.36 0.00 2.21 2.33 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 77 R 8.06 3.84 0.00 1.77 1.98 0.00 3.41 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 78 L 7.82 4.57 0.00 1.85 1.50 1.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.82 4.50 0.00 2.78 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 80 I 8.86 3.79 1.88 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 1.59 0.83 0.96 0.00 0.00 81 E 8.54 4.42 0.00 2.31 2.14 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 2.47 2.25 0.00 82 G 8.41 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.37 3.88 0.00 3.26 3.15 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 0.00 84 V 7.99 3.49 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 0.40 0.00 0.00 0.98 0.00 0.00 85 V 7.94 3.49 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 0.82 0.00 0.00 0.65 0.00 0.00 86 D 8.14 4.29 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.42 4.05 0.00 3.39 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 88 F 8.99 4.38 0.00 3.23 2.90 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 89 T 8.55 4.22 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 90 H 8.54 4.11 0.00 3.24 3.38 0.00 5.78 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 91 R 7.92 3.68 0.00 1.43 1.75 0.00 3.32 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 92 I 7.66 3.69 1.95 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.43 0.82 0.00 0.00 93 R 7.99 3.91 0.00 2.00 1.97 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 94 Q 7.85 3.98 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.37 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 95 N 7.80 4.74 0.00 2.66 2.77 0.00 0.00 7.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.87 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 E 7.70 3.92 0.00 1.97 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 2.20 2.39 0.00 99 W 8.86 4.55 0.00 3.19 3.10 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 0.00 0.00 0.00 *100 F 8.11 4.45 0.00 2.33 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 0.00 0.00 0.00 101 G 6.57 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 6.86 2.59 -0.01 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 0.00 0.00 103 P 0.00 4.17 0.00 2.09 1.99 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 104 G 8.07 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.94 4.38 0.00 1.66 1.66 0.85 0.79 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 0.00 106 P 0.00 4.69 0.00 2.16 2.12 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 *107 C 9.25 4.57 0.00 2.60 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 0.00 108 G 8.05 4.07 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 0.00 0.00 0.00 109 V 8.00 3.67 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 0.86 0.00 0.00 0.95 0.00 0.00 110 Q 8.17 4.63 0.00 1.50 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.63 0.00 0.00 0.00 0.00 0.00 2.27 1.95 0.00 111 P 0.00 4.27 0.00 2.19 2.19 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 112 E 7.97 4.24 0.00 1.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 113 H 7.61 4.20 0.00 3.13 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.85 4.22 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 *117 R 7.82 4.81 0.00 2.15 2.03 0.00 3.03 0.00 0.00 2.74 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 118 V 7.65 3.78 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.07 0.00 0.00 *120 G 8.06 4.08 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 0.00 0.00 0.00 121 T 8.34 4.08 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 122 I 8.17 3.66 1.73 0.00 0.00 0.50 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 1.11 0.26 0.00 0.00 123 F 8.15 3.93 0.00 3.11 3.33 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 0.00 124 E 8.48 3.56 0.00 2.35 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 2.17 2.20 0.00 125 K 7.77 3.85 0.00 1.74 1.83 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 126 K 7.56 4.01 0.00 1.56 1.18 0.00 1.44 0.00 0.00 1.47 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.43 7.81 127 H 7.66 4.71 0.00 2.51 2.97 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.28 3.74 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 0.00 129 E 7.93 3.86 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.97 0.00 130 N 7.86 4.08 0.00 2.60 2.00 0.00 0.00 7.06 8.13 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 0.00 131 F 8.07 4.35 0.00 2.66 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 0.00 0.00 0.00 132 E 7.97 4.20 0.00 2.28 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 0.00 2.39 2.51 0.00 133 T 7.79 3.93 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 134 F 8.62 4.76 0.00 3.41 3.06 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 0.00 135 C 8.83 4.32 0.00 3.40 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 0.00 136 E 8.21 4.03 0.00 2.10 2.25 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 2.38 2.40 0.00 137 Q 8.49 4.21 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 138 L 8.30 4.10 0.00 2.06 1.79 0.97 0.84 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 0.00 139 L 8.01 4.22 0.00 1.83 1.75 0.94 0.59 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 0.00 140 A 7.60 4.35 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 0.00 141 V 7.27 3.70 2.23 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 1.04 0.00 0.00 0.99 0.00 0.00 142 P 0.00 4.29 0.00 2.22 2.01 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 143 R 8.98 3.81 0.00 1.99 2.09 0.00 3.37 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 144 I 7.94 3.33 1.89 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 1.20 0.38 0.93 0.00 0.00 145 S 7.43 4.34 0.00 3.89 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 0.00 146 F 8.73 4.42 0.00 3.09 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 0.00 147 S 8.14 4.18 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.63 0.00 2.22 2.27 0.00 3.76 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 2.16 1.87 0.00 149 Y 7.68 3.88 0.00 2.88 2.35 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 0.00 150 Q 7.30 3.67 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.56 0.00 151 D 7.74 4.31 0.00 2.76 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 0.00 152 V 7.24 3.27 1.76 0.00 0.00 0.00 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 0.75 0.00 0.00 153 V 7.11 3.16 1.92 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 -0.14 0.00 0.00 0.49 0.00 0.00 154 R 8.00 3.66 0.00 1.98 1.84 0.00 3.18 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 1.73 1.87 0.00 155 T 7.80 3.79 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 156 V 7.48 3.66 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 0.78 0.00 0.00 0.82 0.00 0.00 157 G 7.80 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 0.00 158 N 8.16 4.87 0.00 2.72 2.88 0.00 0.00 7.02 6.86 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 0.00 159 A 7.53 4.00 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 *160 Q 8.46 4.12 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 161 T 7.82 4.37 4.21 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 1.15 0.00 0.00 162 D 8.61 4.91 0.00 2.67 2.63 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 0.00 0.00 0.00 0.00 163 Q 7.67 4.77 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 164 C 8.27 3.79 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.02 2.04 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 *167 S 7.91 3.95 0.00 3.87 4.03 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 0.00 0.00 0.00 168 Y 7.68 4.54 0.00 3.08 3.21 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 0.00 169 G 8.16 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 4.00 0.00 1.89 2.01 0.00 3.23 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 171 L 8.19 3.96 0.00 1.93 2.09 0.89 0.93 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 0.00 172 I 8.26 3.80 2.11 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.81 0.91 0.00 0.00 173 G 8.22 2.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.25 4.07 0.00 1.89 1.80 0.96 0.64 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 0.00 175 I 7.82 4.01 1.79 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 0.78 0.00 0.00 176 S 8.41 4.16 0.00 3.89 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 0.00 177 F 8.71 4.01 0.00 2.87 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 0.00 178 G 8.67 3.81 0.00 0.00 0.00 0.00 0.00 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0.00 1.69 1.90 0.00 197 N 7.91 4.03 0.00 2.02 1.42 0.00 0.00 6.74 6.74 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 0.00 198 L 7.53 4.21 0.00 1.76 1.96 0.16 0.65 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 0.00 199 F 8.55 4.41 0.00 3.40 3.48 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 0.00 200 V 7.66 2.78 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 0.91 0.00 0.00 0.52 0.00 0.00 201 Y 8.38 4.16 0.00 3.34 3.48 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 0.00 202 T 8.25 3.91 4.46 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 1.42 0.00 0.00 203 S 7.99 4.05 0.00 3.99 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 0.00 204 L 7.99 3.92 0.00 1.65 1.65 0.92 0.92 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 0.00 205 F 8.15 3.71 0.00 2.41 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 I 7.80 3.65 1.92 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 1.49 0.61 0.79 0.00 0.00 207 K 7.94 3.75 0.00 2.04 1.83 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.45 7.81 208 T 7.52 3.70 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 209 R 7.13 3.72 0.00 1.40 1.77 0.00 2.68 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.00 210 I 7.30 3.13 1.26 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.54 -0.82 0.00 0.00 211 R 7.16 3.97 0.00 1.94 1.94 0.00 3.25 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 1.73 1.76 0.00 212 N 7.44 5.00 0.00 2.61 2.76 0.00 0.00 6.88 9.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 N 7.68 5.04 0.00 2.81 2.75 0.00 0.00 7.02 7.68 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 0.00 214 W 8.19 3.77 0.00 1.93 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 0.00 0.00 0.00 *215 K 8.11 3.92 0.00 1.68 1.82 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.01 7.81 216 E 8.47 3.97 0.00 1.91 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 2.12 2.30 0.00 217 H 7.79 4.53 0.00 3.05 3.14 0.00 5.81 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 7.43 4.11 0.00 2.77 2.91 0.00 0.00 6.67 6.94 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 0.00 219 R 7.76 4.48 0.00 0.67 0.66 0.00 2.73 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.98 0.00 220 S 8.25 4.88 0.00 4.59 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 0.00 221 W 9.41 4.47 0.00 3.75 3.47 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 0.00 222 D 8.65 4.62 0.00 2.82 2.83 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 0.00 0.00 0.00 223 D 8.37 4.45 0.00 2.88 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 0.00 224 F 8.36 3.35 0.00 2.44 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 *226 T 8.03 4.29 4.41 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 1.26 0.00 0.00 227 L 7.97 4.24 0.00 1.42 1.63 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.09 3.48 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 0.00 229 K 8.13 4.05 0.00 1.85 1.81 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.66 7.81 230 Q 7.57 3.82 0.00 2.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.15 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 *232 K 8.07 4.30 0.00 1.90 2.08 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.52 7.81 233 E 8.16 3.93 0.00 2.36 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 2.35 2.31 0.00 234 D 7.88 4.35 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 4.18 0.00 2.79 3.06 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 0.00 236 E 7.81 4.27 0.00 2.28 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 2.35 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.