NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6371 8.2833 119.1964 53.3882 39.8687 174.8844 7 L 3.8319 8.1852 125.9260 55.9996 42.1357 177.7989 8 K 4.0559 8.5340 119.1649 58.9961 32.9425 177.5311 9 E 4.1414 7.6294 116.4437 57.2542 29.9190 177.1480 10 Q 4.4480 7.9695 119.7573 54.3931 29.2268 175.8969 11 L 4.0424 8.5737 126.4731 58.1928 41.6457 179.0609 12 C 3.9765 8.2819 115.8458 63.2625 27.9609 176.3280 13 F 4.1428 8.2005 118.4482 60.3341 38.5717 177.8365 14 S 4.2063 8.6594 115.2994 61.6615 62.7190 176.6223 15 L 3.9709 8.5206 121.6753 58.0286 41.3771 178.6137 16 Y 3.9943 7.7590 119.1367 61.2092 38.6403 178.3385 17 N 4.2460 8.7052 116.9483 56.1754 38.5661 176.9564 18 A 3.9422 8.3638 122.5772 55.3258 18.4156 179.1701 19 Q 3.7432 7.9626 117.0495 59.3844 29.1109 178.5859 20 R 3.6059 7.7072 119.5802 59.6851 29.8028 178.2877 21 Q 3.8615 8.4254 117.6028 59.0965 28.7673 178.7234 22 V 3.4956 7.9230 119.4400 66.0747 31.4005 177.6925 23 N 4.2149 8.3762 117.0405 56.5736 38.9271 176.4012 24 R 3.7888 7.9141 120.2699 60.4483 29.9859 176.8823 25 Y 4.0885 8.2476 118.3247 61.8828 38.5922 177.8543 26 Y 3.7712 7.6376 116.4404 60.9815 37.9218 178.9002 27 S 3.7328 8.1510 114.2246 61.1556 62.1774 176.0791 28 N 4.3081 7.5872 117.7832 56.1722 38.6652 177.1425 29 K 3.9557 7.7979 119.8411 59.0169 32.2827 176.5290 30 V 4.3971 7.8556 116.6994 64.5035 33.8978 177.6826 31 F 4.2263 8.5049 118.0434 60.5425 39.3815 178.4710 32 K 3.9244 8.2551 120.3343 59.6265 32.5812 178.9442 33 K 3.7469 8.2509 120.2926 58.5670 31.9827 176.4757 34 Y 4.5697 7.7196 112.3111 56.6076 39.7501 174.1732 35 N 4.1274 7.7614 116.7241 54.6283 37.2667 172.9408 36 L 4.7196 8.5285 118.3542 53.5884 44.3141 176.9218 37 T 4.8586 7.4359 108.6355 59.3848 72.8821 173.4573 38 Y 4.4944 9.2006 123.6914 60.9921 38.7049 176.8472 39 P 4.2695 0.0000 0.0000 66.3562 31.2728 177.8923 40 Q 3.8362 7.6821 117.7846 58.5287 28.5379 179.0923 41 F 3.8894 8.1745 121.6067 61.2118 39.3158 177.0515 42 L 3.2013 7.6547 118.7356 57.4583 41.2840 179.6002 43 V 3.3443 7.7000 118.2872 66.0953 31.4233 178.0284 44 L 3.1446 7.3271 118.3952 57.5685 40.6714 179.6050 45 T 3.9794 7.1201 115.6780 66.7524 68.3631 176.5709 46 I 3.6366 7.4576 121.5236 64.4749 36.9231 178.6416 47 L 4.1186 7.5824 118.6358 57.3165 41.4125 179.2903 48 W 4.5146 8.2450 118.4748 59.1046 29.0233 177.3412 49 D 4.8667 7.6150 116.6485 54.6557 41.0618 175.3808 50 E 4.3939 7.7657 118.7374 54.8977 30.0854 175.7252 51 S 3.3845 7.0218 118.3735 56.7062 64.1998 171.7119 52 P 5.3584 0.0000 0.0000 61.1774 33.9751 174.7199 53 V 4.5906 8.7216 121.2594 59.7221 35.6073 173.9626 54 N 4.9500 8.7682 121.0324 53.5164 39.6491 175.7720 55 V 3.6677 9.0069 126.1611 66.4740 31.4696 178.3411 56 K 3.9248 9.4236 118.9702 59.2802 31.7075 179.0738 57 K 3.9795 8.5266 120.4809 59.1225 31.9483 179.1143 58 V 3.4929 7.6856 118.7019 66.0586 31.2910 178.1244 59 V 3.5787 7.7295 116.0363 66.2517 31.3065 177.8075 60 T 4.0505 7.5382 114.6458 66.7095 68.5811 176.4766 61 E 4.2061 8.3480 118.0250 56.9751 29.7115 176.6315 62 L 4.8075 6.8812 117.8773 52.5749 45.7858 176.8561 63 A 4.3603 8.3032 123.8557 51.2500 16.9644 177.4315 64 L 4.4874 7.3892 121.2979 53.0821 43.7216 177.3976 65 D 4.8768 8.0069 123.4366 53.1283 43.0846 176.3638 66 T 4.0471 8.3204 115.5788 65.0063 68.9985 174.5085 67 G 4.0335 8.4864 110.7784 46.4298 0.0000 174.6125 68 T 4.4166 7.3801 111.0192 62.1803 70.1092 176.0317 69 V 3.4914 7.6049 120.7317 65.8962 31.6921 177.5657 70 S 4.0973 8.0862 114.3543 61.4147 62.6615 175.0069 71 P 4.1801 0.0000 0.0000 65.4406 30.9641 177.9803 72 L 3.8978 7.3793 117.3825 58.6649 42.0104 178.9873 73 L 4.0717 7.9597 117.2733 57.3538 41.6768 179.1286 74 K 4.1059 8.1936 119.9586 59.4536 32.2633 180.2392 75 R 4.0803 7.9109 116.3629 56.5069 30.0717 178.3349 *77 E 4.6310 8.0288 119.7154 56.5905 31.2404 177.5310 78 Q 4.0944 8.0732 116.4129 58.7826 28.5634 178.1284 79 V 4.1826 7.8145 115.9253 62.5135 31.6334 174.9432 80 D 4.9879 8.1820 114.9486 54.6413 40.1108 174.4301 81 L 4.3568 7.3487 118.0030 55.7704 42.7087 176.8067 82 I 4.8358 7.1936 109.9474 59.2836 41.6938 173.8109 83 K 4.7641 9.0338 123.7308 54.7972 34.7060 175.2289 84 R 5.0356 8.7161 126.2453 55.2827 31.9696 175.6761 85 E 4.6957 9.2753 122.5518 54.7284 33.3559 173.7673 86 R 4.7983 8.5390 126.9337 54.4895 31.4004 175.7315 87 S 4.4122 8.6016 121.1540 58.8198 63.1124 174.6500 88 E 4.2792 8.8660 124.1406 57.8604 30.2801 178.2361 89 V 3.6783 7.8948 117.9292 64.9209 31.9443 175.4147 90 D 4.6135 8.2190 121.8949 52.2638 42.3186 175.5965 91 Q 4.3672 9.0243 124.6730 56.8274 28.6480 177.3490 92 R 4.3799 8.1562 113.9412 55.8342 30.3817 175.8651 93 E 4.3690 8.1049 120.0442 55.5719 31.4319 175.4883 94 V 4.4701 7.6932 121.9113 61.1338 35.4264 173.8653 95 F 5.4804 9.2587 125.5814 55.7948 42.7884 174.1743 96 I 4.9957 9.0265 121.6347 59.9474 40.1426 174.4969 97 H 5.2523 9.1263 123.0851 53.7063 32.3196 173.5166 98 L 4.5109 8.0056 122.2341 55.0662 42.6663 176.1996 99 T 4.5866 9.2171 112.4559 59.8076 71.9164 175.0395 100 D 4.3627 8.6843 120.5568 57.2092 40.5987 178.6825 101 K 3.9153 8.1160 119.9765 59.7608 32.0125 178.7434 102 S 4.2950 7.8008 112.0690 60.8368 63.3555 175.6190 103 E 4.2875 8.3156 123.7214 59.3426 29.1293 178.6051 104 T 3.8419 8.0052 115.3061 66.9143 69.0128 176.4354 105 I 3.4503 7.5981 121.0307 63.7364 36.9490 178.1846 106 R 2.0000 7.4277 119.8121 58.4249 29.5393 176.1841 107 P 4.0893 0.0000 0.0000 65.7816 31.5046 177.4120 108 E 4.0602 7.9880 117.6219 58.6991 29.4146 177.7527 109 L 4.6652 7.2798 115.4065 54.2024 42.9185 178.3378 110 S 4.0708 7.6018 114.8795 60.7877 63.1054 175.1744 111 N 4.5099 8.4834 116.9168 54.6464 37.9050 177.6268 112 A 4.5565 7.5600 122.6325 56.6105 18.8843 179.1684 113 S 4.4288 8.4060 112.1247 60.6331 63.0232 175.6695 114 D 4.7510 8.5477 121.8294 55.2915 42.4509 178.1443 115 K 3.9010 8.2932 118.5583 60.2431 32.1071 178.4509 116 V 3.5904 8.2562 118.3987 65.0980 31.4006 177.4516 117 A 4.0346 8.0573 119.7013 55.5023 18.3785 179.9537 118 S 4.0324 8.8740 112.4843 61.6106 63.1272 176.2861 119 A 4.1950 7.9762 122.1035 52.9638 18.0158 177.7866 120 S 4.4877 7.3694 111.7237 57.1320 64.0411 174.5469 121 S 3.6577 7.6736 115.4686 59.6278 60.5918 172.4453 122 L 4.7527 7.7870 118.6894 53.0601 43.7046 178.3817 123 S 4.5344 9.8518 120.3238 57.5422 65.6374 175.3349 124 Q 4.0756 8.5206 120.5733 59.3522 28.3695 179.0456 125 D 4.4044 7.9996 119.3336 57.1581 41.0288 178.5102 126 E 3.9325 8.2755 119.2034 59.3414 29.4275 179.4326 127 V 3.5820 8.2240 118.5818 66.1332 31.6892 178.0153 128 K 3.9000 7.8800 117.6096 59.6535 31.7876 178.8951 129 E 3.9917 8.1451 119.4056 58.8141 29.5730 178.3562 130 L 4.0384 8.4200 120.8402 58.4796 42.2529 178.6301 131 N 4.4237 8.5081 116.6028 56.3407 38.5141 177.4850 132 R 3.8837 7.8642 119.7348 59.3875 30.2770 178.5135 133 L 3.9754 8.5454 119.3662 57.9836 41.6103 179.4210 134 L 4.1269 8.6050 119.2625 57.7795 41.5306 179.8299 135 G 3.6998 8.1364 105.5235 47.9579 0.0000 175.7558 136 K 3.9834 7.6599 119.7587 59.0801 32.1866 179.3016 137 V 3.7473 7.7407 118.4449 65.9653 31.2347 177.9508 138 I 3.7622 7.8236 118.7130 64.8625 37.3668 177.4784 139 H 4.6521 8.0614 114.2187 56.0239 28.5498 176.8485 140 A 3.8972 7.3959 123.7163 54.0107 18.2260 177.6969 141 F 4.3735 8.0669 120.7397 57.5704 40.1583 174.5069 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 6 N 8.28 4.64 0.00 2.79 2.76 0.00 0.00 7.10 5.78 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 7 L 8.19 3.83 0.00 1.56 1.14 0.29 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.53 4.06 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.38 7.81 9 E 7.63 4.14 0.00 2.14 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 2.32 2.42 0.00 10 Q 7.97 4.45 0.00 2.48 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 11 L 8.57 4.04 0.00 1.74 1.79 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.28 3.98 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.20 4.14 0.00 3.32 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 14 S 8.66 4.21 0.00 4.04 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 15 L 8.52 3.97 0.00 1.76 1.76 0.98 0.76 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 16 Y 7.76 3.99 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.71 4.25 0.00 3.01 2.90 0.00 0.00 6.99 8.35 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 18 A 8.36 3.94 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 19 Q 7.96 3.74 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 20 R 7.71 3.61 0.00 1.45 1.81 0.00 2.99 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 21 Q 8.43 3.86 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 22 V 7.92 3.50 2.16 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 1.22 0.00 0.00 0.96 0.00 0.00 23 N 8.38 4.21 0.00 2.32 2.73 0.00 0.00 6.77 7.25 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 24 R 7.91 3.79 0.00 1.92 2.18 0.00 3.16 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 25 Y 8.25 4.09 0.00 2.80 2.76 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 26 Y 7.64 3.77 0.00 2.64 1.58 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 27 S 8.15 3.73 0.00 3.88 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 28 N 7.59 4.31 0.00 2.81 2.80 0.00 0.00 7.00 7.34 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 29 K 7.80 3.96 0.00 1.16 1.26 0.00 1.55 0.00 0.00 1.44 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.36 7.81 30 V 7.86 4.40 2.29 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 1.32 0.00 0.00 0.99 0.00 0.00 31 F 8.50 4.23 0.00 3.20 3.27 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 32 K 8.26 3.92 0.00 1.91 2.12 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.39 7.81 33 K 8.25 3.75 0.00 1.64 1.94 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.69 1.17 7.81 34 Y 7.72 4.57 0.00 3.01 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 35 N 7.76 4.13 0.00 2.85 2.94 0.00 0.00 7.06 9.13 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 36 L 8.53 4.72 0.00 1.17 1.00 0.80 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.44 4.86 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 1.23 0.00 0.00 38 Y 9.20 4.49 0.00 3.54 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 39 P 0.00 4.27 0.00 2.32 2.39 0.00 3.94 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 40 Q 7.68 3.84 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 41 F 8.17 3.89 0.00 2.41 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 42 L 7.65 3.20 0.00 1.73 1.51 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.70 3.34 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 0.92 0.00 0.00 0.80 0.00 0.00 44 L 7.33 3.14 0.00 0.66 0.13 0.63 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.12 3.98 4.09 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 1.12 0.00 0.00 46 I 7.46 3.64 1.88 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 1.43 0.60 0.83 0.00 0.00 47 L 7.58 4.12 0.00 1.29 1.50 0.73 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.25 4.51 0.00 3.51 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 49 D 7.61 4.87 0.00 2.72 2.86 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 50 E 7.77 4.39 0.00 1.88 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 0.00 2.18 2.43 0.00 51 S 7.02 3.38 0.00 3.92 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 52 P 0.00 5.36 0.00 1.79 1.88 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 53 V 8.72 4.59 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 0.70 0.00 0.00 0.92 0.00 0.00 54 N 8.77 4.95 0.00 3.01 2.80 0.00 0.00 6.58 7.71 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 55 V 9.01 3.67 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 0.92 0.00 0.00 0.88 0.00 0.00 56 K 9.42 3.92 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.54 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 K 8.53 3.98 0.00 1.76 1.88 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 58 V 7.69 3.49 2.19 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 0.88 0.00 0.00 0.86 0.00 0.00 59 V 7.73 3.58 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 0.92 0.00 0.00 0.96 0.00 0.00 60 T 7.54 4.05 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 1.22 0.00 0.00 61 E 8.35 4.21 0.00 1.88 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 2.60 2.46 0.00 62 L 6.88 4.81 0.00 1.64 1.53 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.30 4.36 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 64 L 7.39 4.49 0.00 1.63 1.59 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.01 4.88 0.00 2.69 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 66 T 8.32 4.05 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 67 G 8.49 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 0.00 0.00 0.00 68 T 7.38 4.42 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 1.35 0.00 0.00 69 V 7.60 3.49 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 1.12 0.00 0.00 0.93 0.00 0.00 70 S 8.09 4.10 0.00 3.88 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 71 P 0.00 4.18 0.00 2.14 2.08 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.13 0.00 72 L 7.38 3.90 0.00 1.58 1.98 0.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.96 4.07 0.00 1.60 1.67 0.87 0.96 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 74 K 8.19 4.11 0.00 1.88 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 75 R 7.91 4.08 0.00 2.02 1.92 0.00 3.37 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 *77 E 8.03 4.63 0.00 2.14 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 2.26 2.49 0.00 78 Q 8.07 4.09 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.20 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 79 V 7.81 4.18 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 0.96 0.00 0.00 1.03 0.00 0.00 80 D 8.18 4.99 0.00 2.70 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 81 L 7.35 4.36 0.00 1.46 1.59 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.19 4.84 1.87 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 1.17 0.68 0.77 0.00 0.00 83 K 9.03 4.76 0.00 1.84 1.68 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.44 7.81 84 R 8.72 5.04 0.00 1.77 1.82 0.00 3.14 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 85 E 9.28 4.70 0.00 2.10 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 2.33 0.00 86 R 8.54 4.80 0.00 1.81 1.77 0.00 3.27 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 87 S 8.60 4.41 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.87 4.28 0.00 2.02 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 2.29 2.32 0.00 89 V 7.89 3.68 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 90 D 8.22 4.61 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 9.02 4.37 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 92 R 8.16 4.38 0.00 1.86 1.98 0.00 3.03 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 93 E 8.10 4.37 0.00 1.86 1.50 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 2.20 2.34 0.00 94 V 7.69 4.47 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 0.93 0.00 0.00 0.81 0.00 0.00 95 F 9.26 5.48 0.00 3.02 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 96 I 9.03 5.00 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.83 0.00 0.00 97 H 9.13 5.25 0.00 3.08 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.01 4.51 0.00 1.71 1.62 1.10 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.22 4.59 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 1.23 0.00 0.00 100 D 8.68 4.36 0.00 2.73 2.78 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 0.00 101 K 8.12 3.92 0.00 1.92 2.07 0.00 1.76 0.00 0.00 2.15 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.60 7.81 102 S 7.80 4.30 0.00 4.00 3.98 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 0.00 0.00 0.00 103 E 8.32 4.29 0.00 2.32 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 0.00 2.34 2.42 0.00 104 T 8.01 3.84 4.53 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 1.30 0.00 0.00 105 I 7.60 3.45 2.06 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 0.04 0.92 0.67 0.00 0.00 106 R 7.43 2.00 0.00 1.55 1.67 0.00 2.93 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.74 0.00 107 P 0.00 4.09 0.00 2.14 2.08 0.00 3.72 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 108 E 7.99 4.06 0.00 2.13 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 2.40 2.32 0.00 109 L 7.28 4.67 0.00 1.84 2.03 1.18 0.56 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 0.00 110 S 7.60 4.07 0.00 3.82 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.48 4.51 0.00 3.01 3.11 0.00 0.00 6.18 7.80 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 0.00 112 A 7.56 4.56 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 0.00 113 S 8.41 4.43 0.00 3.98 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 0.00 114 D 8.55 4.75 0.00 2.86 2.71 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 0.00 115 K 8.29 3.90 0.00 2.19 2.08 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.73 1.73 7.81 116 V 8.26 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.19 0.00 0.00 117 A 8.06 4.03 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 0.00 118 S 8.87 4.03 0.00 4.03 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 0.00 119 A 7.98 4.19 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 0.00 120 S 7.37 4.49 0.00 3.85 3.83 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 0.00 121 S 7.67 3.66 0.00 3.93 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 0.00 122 L 7.79 4.75 0.00 1.79 1.59 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 123 S 9.85 4.53 0.00 3.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.52 4.08 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 125 D 8.00 4.40 0.00 2.69 2.71 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 0.00 126 E 8.28 3.93 0.00 2.26 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 2.34 2.32 0.00 127 V 8.22 3.58 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 1.20 0.00 0.00 1.04 0.00 0.00 128 K 7.88 3.90 0.00 2.07 1.87 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.78 7.81 129 E 8.15 3.99 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 130 L 8.42 4.04 0.00 1.87 1.86 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.51 4.42 0.00 3.04 2.90 0.00 0.00 6.77 7.78 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 0.00 132 R 7.86 3.88 0.00 2.14 2.06 0.00 3.11 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 133 L 8.55 3.98 0.00 1.84 1.72 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.60 4.13 0.00 1.87 1.77 0.96 0.88 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 0.00 135 G 8.14 3.70 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 0.00 0.00 0.00 136 K 7.66 3.98 0.00 1.99 1.88 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 137 V 7.74 3.75 2.28 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 1.13 0.00 0.00 1.03 0.00 0.00 138 I 7.82 3.76 1.93 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 1.54 0.98 0.80 0.00 0.00 139 H 8.06 4.65 0.00 3.22 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.40 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.07 4.37 0.00 2.97 2.92 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 * Residues marked with a * may have inaccurate shift predictions.