NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.0836 8.0549 114.0122 61.3612 32.9576 174.3704 9 Y 4.4437 7.8739 120.0980 55.4421 41.4638 173.2564 10 D 3.3914 8.3706 116.7614 51.8735 45.0611 174.3754 11 P 4.3509 0.0000 0.0000 63.4572 31.1217 178.0983 12 A 4.0236 7.9735 121.6302 55.2134 18.0618 180.0001 13 Q 3.8053 7.8331 116.4675 58.6887 28.6478 178.7968 14 A 4.0137 7.6455 121.4600 54.9118 18.7414 179.3516 15 R 3.8549 8.0169 117.2259 59.7747 29.9361 178.8331 16 I 3.7126 7.8457 118.6959 64.4249 36.8888 177.9792 17 E 4.1543 7.9292 118.7178 58.8815 29.2246 178.9232 18 A 4.1639 8.1247 120.8939 54.5561 18.4233 179.0082 19 E 4.0047 8.3843 117.8424 58.9095 29.7018 178.8733 20 S 4.2358 7.6709 114.2703 60.9806 62.9242 176.7145 21 V 3.5258 7.5340 120.7866 65.9285 31.4642 177.8755 22 K 4.4376 8.0997 120.6420 59.0071 31.8290 178.6319 23 A 4.0471 7.8757 121.2112 55.0365 18.0247 179.7788 24 V 3.6312 7.6211 116.1785 66.0442 31.7943 178.0201 25 Q 4.1481 8.1920 118.0032 58.9870 28.3009 178.5654 26 E 4.0879 8.0458 118.8770 58.5500 29.8924 178.1661 27 K 4.2639 7.8196 120.7679 56.3795 31.4626 177.9379 *29 A 3.9707 7.9482 121.4118 51.6512 20.6901 178.0930 30 G 4.0869 7.6126 102.8816 44.9323 0.0000 172.9345 31 N 4.9545 7.8247 116.6322 52.0382 41.8726 173.6549 32 D 4.7783 8.5700 122.9331 54.3589 43.2022 176.4379 33 D 4.3551 8.2547 118.9879 54.4127 41.9340 175.0134 34 P 4.2906 0.0000 0.0000 66.2353 31.4080 178.0253 35 H 4.2100 8.3586 116.4036 59.2115 29.8273 177.0076 36 F 4.1375 8.1420 121.7196 61.2474 39.3146 177.1897 37 Q 3.8709 8.1232 117.5646 59.1364 28.5684 179.0481 38 T 3.8020 7.7848 116.6167 66.6932 68.5633 177.0446 39 R 3.7785 7.8011 119.6804 59.2266 30.0977 179.0945 40 A 3.8151 7.6645 120.3529 54.9710 18.1875 179.8845 41 T 3.8154 7.4762 114.3000 66.5122 68.5450 177.2468 42 V 3.5232 7.5849 119.9901 66.1310 31.5562 178.2489 43 I 3.7141 7.7313 119.5652 64.1550 36.8876 178.3786 44 K 3.9075 8.1242 120.6176 59.4458 32.1837 178.5574 45 E 3.9752 8.2290 119.6482 58.7943 29.3290 178.7123 46 Q 3.9928 7.7642 119.4249 59.3542 29.2397 178.2629 47 R 3.9908 8.2066 118.7133 58.6969 30.0520 179.0007 48 A 3.9557 7.9776 121.1230 55.1653 18.5581 179.2572 49 E 3.9891 7.8399 116.3029 58.8176 29.6510 178.9167 50 L 4.0105 7.6582 119.3846 57.5595 41.7923 179.0667 51 A 4.1040 8.2915 120.9853 55.0663 18.4389 179.8829 52 K 4.0060 8.2562 117.0974 59.4873 31.9865 179.2366 53 H 4.1904 8.0427 118.5400 59.7126 29.6027 177.1371 54 H 4.2655 8.1626 118.0460 58.7227 28.3273 178.1097 55 V 3.6629 7.8552 120.1596 65.9450 31.4052 178.0679 56 S 4.2437 8.0091 112.5571 61.5495 62.2028 176.3118 57 V 3.7058 8.0815 121.0131 65.7942 31.1042 178.0166 58 L 3.8028 7.7695 118.6767 57.6101 41.3216 179.3041 59 W 4.6631 8.1609 126.9531 60.3201 30.7229 177.4728 60 S 4.2392 8.3826 113.0656 60.0799 63.1741 175.2155 61 D 4.6649 8.1701 120.7435 54.9459 41.9841 176.9461 62 Y 3.5043 7.1946 119.0064 59.3109 39.2434 175.3725 63 F 4.0131 7.8738 123.6522 57.7720 38.8746 175.4889 64 K 4.3897 8.0872 125.3786 54.1918 33.2812 176.1247 65 P 4.5195 0.0000 0.0000 65.8044 31.1010 177.1872 66 P 4.2989 0.0000 0.0000 65.4984 31.1541 178.2417 67 H 4.4547 7.7416 115.0523 58.6183 28.3859 177.5295 68 F 4.6173 7.4320 117.6564 59.8362 38.8210 177.1079 69 E 4.2761 8.0979 117.3331 58.6821 29.7635 178.1492 70 K 4.1885 7.8295 118.3657 57.6782 33.0013 176.1080 71 Y 4.5652 8.0963 116.9255 55.0351 38.6173 173.9756 72 P 4.6276 0.0000 0.0000 64.2749 32.1129 177.5401 73 E 4.4371 8.1046 116.3638 56.7003 30.8363 177.6329 74 L 3.9449 7.9566 122.5830 58.7165 41.8465 178.1904 75 H 4.3952 8.4632 115.6133 59.3268 28.6502 177.3597 76 Q 3.9042 8.0751 120.5750 58.8204 29.0937 177.4814 77 L 4.0088 8.0846 121.5755 58.1158 42.1161 179.2379 78 V 3.5188 7.6909 118.2509 65.9115 31.5000 177.6187 79 N 4.0951 7.5887 116.7589 56.6038 38.7357 176.6572 80 D 4.1474 8.3046 120.6702 56.9869 40.5215 178.9819 81 T 3.5206 7.0042 115.3804 66.5183 68.6314 176.6771 82 L 4.0420 7.5507 119.3467 57.4365 41.8179 179.2305 83 K 4.1766 7.7641 117.5692 58.3762 32.1329 178.9762 84 A 3.9002 7.5203 118.9995 52.8883 17.3149 179.2520 *86 S 4.3102 8.1364 118.8571 60.0135 65.1930 176.4668 87 A 4.1559 8.0049 122.0843 55.0676 18.1591 179.5562 88 A 3.9773 8.0339 119.3809 55.0731 18.1804 179.7725 89 K 4.0898 7.5813 118.1514 58.5837 32.2106 178.3164 90 G 4.0919 7.5438 103.5861 43.3242 0.0000 172.7989 91 S 4.7065 7.3205 113.3773 56.1939 65.3273 174.1084 92 K 4.2502 8.5157 124.2550 56.7368 32.7137 176.3401 93 D 4.4863 7.8724 120.3323 53.1653 41.5040 175.1731 94 P 4.5118 0.0000 0.0000 65.2148 31.1744 178.4909 95 A 4.0429 8.2545 120.5583 55.2315 17.9337 179.7244 96 T 3.9324 7.8890 108.4926 64.7588 68.6615 176.9249 97 G 3.6356 8.0200 108.1660 47.3211 0.0000 175.3269 98 Q 4.1056 8.0178 121.4003 58.3736 28.8976 177.9703 99 K 3.9927 8.4302 121.2461 59.2956 32.3725 178.6996 100 A 4.1739 7.8696 120.7919 55.1993 18.3135 179.6430 101 L 4.0402 7.8798 117.2446 58.0229 41.7710 179.4346 102 D 4.4311 8.1097 118.2687 57.1075 40.5743 178.2651 103 Y 4.2202 7.8372 117.6344 60.8115 37.8961 177.9593 104 I 3.8200 7.9359 120.3068 64.1832 37.1564 178.3071 105 A 4.0527 8.1102 121.7950 55.1487 17.6266 179.6469 106 Q 4.0848 7.7378 115.8129 58.8265 28.6969 178.7198 107 I 3.9322 7.5537 121.3710 64.1805 37.1870 177.7958 108 D 4.3844 8.5827 119.4134 57.0101 40.7903 178.3132 109 K 4.0923 7.8173 119.1230 59.7396 32.3815 178.6649 110 I 3.6909 7.4961 119.1646 63.9759 36.7575 178.0161 111 F 4.0529 8.5208 121.8070 61.3697 39.1608 177.3195 112 W 4.3052 8.1534 117.1800 58.9901 28.6674 178.0647 113 E 4.3075 8.0070 117.8581 58.1645 29.1039 177.8767 114 T 4.4782 7.3976 108.1081 61.9607 69.6120 175.8439 115 K 4.2257 7.4794 120.5961 58.1620 32.7241 178.7056 116 K 4.2350 8.0426 117.5697 58.6141 32.4769 176.6864 117 A 4.2073 7.6725 124.5293 52.5614 19.1499 175.6885 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 8 V 8.05 4.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.86 0.00 0.00 9 Y 7.87 4.44 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.37 3.39 0.00 2.53 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 0.00 0.00 0.00 0.00 11 P 0.00 4.35 0.00 2.23 1.89 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.33 0.00 12 A 7.97 4.02 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 13 Q 7.83 3.81 0.00 1.81 1.65 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 2.26 2.25 0.00 14 A 7.65 4.01 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 15 R 8.02 3.85 0.00 1.99 2.10 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 16 I 7.85 3.71 1.91 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 1.52 0.71 0.91 0.00 0.00 17 E 7.93 4.15 0.00 2.13 2.18 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 2.56 2.56 0.00 18 A 8.12 4.16 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 19 E 8.38 4.00 0.00 2.29 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 2.31 2.36 0.00 20 S 7.67 4.24 0.00 4.13 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 21 V 7.53 3.53 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 1.03 0.00 0.00 0.98 0.00 0.00 22 K 8.10 4.44 0.00 1.82 1.80 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 23 A 7.88 4.05 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 24 V 7.62 3.63 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 0.82 0.00 0.00 0.97 0.00 0.00 25 Q 8.19 4.15 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 26 E 8.05 4.09 0.00 2.14 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 2.36 2.50 0.00 27 K 7.82 4.26 0.00 2.12 2.10 0.00 1.80 0.00 0.00 2.01 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.53 7.81 *29 A 7.95 3.97 1.34 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 0.00 0.00 30 G 7.61 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 0.00 0.00 0.00 0.00 31 N 7.82 4.95 0.00 2.43 2.71 0.00 0.00 6.99 8.47 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 32 D 8.57 4.78 0.00 2.70 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 33 D 8.25 4.36 0.00 2.90 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 34 P 0.00 4.29 0.00 2.23 2.13 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 35 H 8.36 4.21 0.00 3.27 3.59 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.14 4.14 0.00 3.26 3.23 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 37 Q 8.12 3.87 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 38 T 7.78 3.80 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 1.18 0.00 0.00 39 R 7.80 3.78 0.00 1.74 1.80 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 40 A 7.66 3.82 0.81 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 0.00 0.00 41 T 7.48 3.82 4.32 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 1.17 0.00 0.00 42 V 7.58 3.52 2.18 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 1.00 0.00 0.00 0.97 0.00 0.00 43 I 7.73 3.71 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.88 0.00 0.00 44 K 8.12 3.91 0.00 1.90 1.94 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 45 E 8.23 3.98 0.00 2.28 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 2.28 2.34 0.00 46 Q 7.76 3.99 0.00 2.41 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 47 R 8.21 3.99 0.00 1.86 2.06 0.00 3.34 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 48 A 7.98 3.96 1.34 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 0.00 0.00 49 E 7.84 3.99 0.00 2.34 1.94 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 2.29 2.38 0.00 50 L 7.66 4.01 0.00 1.93 1.71 0.98 0.85 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 51 A 8.29 4.10 1.46 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 0.00 0.00 52 K 8.26 4.01 0.00 1.99 1.87 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.53 7.81 53 H 8.04 4.19 0.00 3.36 3.42 0.00 5.78 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 54 H 8.16 4.27 0.00 3.38 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.86 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 1.02 0.00 0.00 0.99 0.00 0.00 56 S 8.01 4.24 0.00 4.07 4.11 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 57 V 8.08 3.71 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 1.31 0.00 0.00 0.84 0.00 0.00 58 L 7.77 3.80 0.00 2.12 1.77 0.87 0.24 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 59 W 8.16 4.66 0.00 3.41 3.63 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 60 S 8.38 4.24 0.00 4.07 4.10 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 61 D 8.17 4.66 0.00 2.74 2.84 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 62 Y 7.19 3.50 0.00 1.63 2.50 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 0.00 63 F 7.87 4.01 0.00 3.19 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 0.00 0.00 0.00 0.00 64 K 8.09 4.39 0.00 1.54 1.57 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.37 7.81 65 P 0.00 4.52 0.00 2.16 2.20 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 66 P 0.00 4.30 0.00 1.93 2.01 0.00 3.31 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 1.98 2.09 0.00 67 H 7.74 4.45 0.00 2.80 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.43 4.62 0.00 3.08 2.97 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 69 E 8.10 4.28 0.00 2.10 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 2.42 0.00 70 K 7.83 4.19 0.00 1.88 1.65 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.93 1.18 7.81 71 Y 8.10 4.57 0.00 3.13 2.98 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 72 P 0.00 4.63 0.00 2.22 2.22 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 73 E 8.10 4.44 0.00 2.20 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 0.00 2.39 2.31 0.00 74 L 7.96 3.94 0.00 1.82 1.96 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.46 4.40 0.00 3.27 3.31 0.00 5.67 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 76 Q 8.08 3.90 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 77 L 8.08 4.01 0.00 1.98 1.85 1.16 0.75 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 78 V 7.69 3.52 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.09 0.00 0.00 79 N 7.59 4.10 0.00 2.49 2.71 0.00 0.00 7.25 8.32 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 80 D 8.30 4.15 0.00 2.55 1.93 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 81 T 7.00 3.52 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 1.22 0.00 0.00 82 L 7.55 4.04 0.00 1.62 1.64 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.76 4.18 0.00 1.73 1.75 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.50 7.81 84 A 7.52 3.90 1.31 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 0.00 0.00 0.00 *86 S 8.14 4.31 0.00 4.04 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 87 A 8.00 4.16 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 88 A 8.03 3.98 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 89 K 7.58 4.09 0.00 1.95 2.03 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.44 7.81 90 G 7.54 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 0.00 0.00 0.00 0.00 91 S 7.32 4.71 0.00 3.87 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 92 K 8.52 4.25 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.41 7.81 93 D 7.87 4.49 0.00 2.71 2.56 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 94 P 0.00 4.51 0.00 2.21 2.10 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 95 A 8.25 4.04 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 96 T 7.89 3.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 97 G 8.02 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.02 4.11 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 99 K 8.43 3.99 0.00 2.00 2.06 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.56 7.81 100 A 7.87 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.88 4.04 0.00 1.87 1.75 0.98 1.64 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 0.00 102 D 8.11 4.43 0.00 2.82 2.56 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 0.00 103 Y 7.84 4.22 0.00 3.24 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 0.00 104 I 7.94 3.82 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.94 0.00 0.00 105 A 8.11 4.05 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 0.00 106 Q 7.74 4.08 0.00 2.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 107 I 7.55 3.93 2.09 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 1.49 0.91 1.13 0.00 0.00 108 D 8.58 4.38 0.00 2.95 2.91 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 0.00 109 K 7.82 4.09 0.00 2.00 2.03 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.57 7.81 110 I 7.50 3.69 1.73 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 1.07 0.57 -0.06 0.00 0.00 111 F 8.52 4.05 0.00 3.12 2.99 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 0.00 112 W 8.15 4.31 0.00 3.50 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 0.00 113 E 8.01 4.31 0.00 2.22 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 0.00 2.47 2.58 0.00 114 T 7.40 4.48 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 1.38 0.00 0.00 115 K 7.48 4.23 0.00 1.92 2.03 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.70 0.57 7.81 116 K 8.04 4.23 0.00 1.81 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.63 7.81 117 A 7.67 4.21 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 * Residues marked with a * may have inaccurate shift predictions.