NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5324 8.3049 120.6206 54.9650 34.3803 176.4291 2 V 4.2516 8.6459 107.8931 58.3943 35.8989 173.8077 3 N 4.7804 8.7530 123.6370 53.0527 39.8630 173.8101 4 V 4.4976 7.3217 126.2969 60.2966 33.7327 173.6259 5 P 4.5571 0.0000 0.0000 62.0844 32.6799 176.1212 6 K 4.1804 8.6831 121.4258 59.3858 33.4161 176.4980 7 T 5.0858 7.8114 116.0538 62.1814 69.9614 174.5881 8 R 4.7887 8.6403 124.0980 54.8021 35.5732 173.7852 9 K 5.1275 8.5345 119.6865 55.3168 34.0056 175.7457 10 T 4.7631 8.7817 118.3890 60.7620 71.7680 171.6397 11 Y 4.5019 8.6132 125.0509 57.6635 39.4177 174.0099 12 C 4.5037 7.2210 126.7142 57.5988 32.6986 173.7295 13 K 4.0875 8.6744 126.9334 58.8998 32.5694 177.7441 14 G 3.8447 7.8524 107.2191 45.4381 0.0000 174.2522 15 K 4.0481 8.4621 120.4877 59.5473 33.2966 178.6501 16 T 3.9133 7.9658 113.5053 65.4007 67.2618 174.9043 17 C 4.1614 7.8517 117.5457 61.5477 28.6185 175.5190 18 R 3.7171 7.4996 114.1183 56.1520 28.5272 175.3322 19 K 4.7017 7.0886 114.0722 57.3692 36.1229 174.1185 20 H 4.6433 8.8616 118.1606 56.5036 29.4787 174.8721 21 T 4.5541 8.8360 116.3065 61.0580 71.6436 171.8531 22 Q 4.8231 8.5500 124.4785 56.3430 30.3081 174.2246 23 H 5.2916 9.2482 121.6639 53.8547 33.7600 172.1181 24 K 4.8965 9.0458 120.5972 55.2845 34.8836 175.1221 25 V 4.7157 8.4359 124.4415 62.1210 32.8994 174.8939 26 T 4.7935 8.6582 120.7344 60.7600 71.1310 172.8837 27 Q 4.9664 8.6272 125.6278 55.3656 30.0180 175.3834 28 Y 3.7557 8.2588 122.4023 55.0752 40.6676 176.4189 29 K 4.2177 7.8489 131.1337 56.4833 33.1770 175.8497 30 A 4.8410 8.3426 121.2099 50.9422 21.6635 176.4886 31 G 4.2534 8.2154 107.6899 44.4049 0.0000 170.7778 32 K 4.1634 9.0252 122.6042 55.5782 32.5941 177.9560 33 A 3.5192 9.0527 111.4719 53.0208 16.9371 178.1433 34 S 5.7907 8.9726 132.0668 59.0895 62.7838 179.1220 35 L 3.7417 7.7445 119.2699 54.9806 41.5891 173.9865 36 F 4.4185 6.8007 116.4762 57.4133 38.5703 173.7657 37 A 4.8028 7.0957 126.9573 50.6278 21.5003 177.3053 38 Q 4.2336 8.8754 110.5442 59.8265 28.5567 178.7431 39 G 3.6713 8.1132 107.2418 47.5553 0.0000 175.3730 40 K 3.9862 7.6889 120.3548 59.4583 32.1606 179.2356 41 R 3.9994 7.9287 118.3423 59.2179 29.9170 179.2299 42 R 3.9403 7.9811 117.4789 59.4130 29.9184 178.2711 43 Y 4.1758 7.6502 117.8850 60.7999 38.8475 177.5912 44 D 4.5161 7.4741 119.2538 56.9416 41.0292 178.7114 45 R 4.1561 8.1018 118.0238 58.0605 31.4910 177.9377 46 K 4.3695 8.0609 119.8242 54.9361 31.0399 175.4961 47 Q 4.4085 7.6501 121.5849 55.8560 31.9746 174.5840 48 S 3.7346 8.0407 115.1604 56.2999 66.3015 173.8245 49 G 3.7246 9.1785 117.4684 46.4900 0.0000 174.2208 50 F 3.5736 8.9099 123.0853 55.6915 40.1825 173.6871 51 G 4.2979 9.6721 109.8583 45.3871 0.0000 176.7117 52 G 3.9265 8.7495 108.8856 46.1392 0.0000 177.0956 53 Q 4.1030 9.1639 124.2697 58.3922 28.8110 177.4475 54 T 3.9906 7.4685 112.1898 64.7478 67.6963 175.1588 55 K 4.0415 7.9404 120.4258 59.0052 32.6219 175.4015 56 P 4.6459 0.0000 0.0000 62.7968 31.4584 176.6501 57 V 3.0780 8.3604 114.8008 63.8844 30.7826 170.9106 58 F 4.5229 9.4940 116.1498 59.1115 38.6367 174.6138 59 H 3.9204 5.5493 116.5533 52.7839 30.7787 173.6857 60 K 4.5531 8.3196 119.4456 55.4360 33.2471 177.1415 61 K 4.1166 8.5476 122.6078 59.2618 33.3764 176.3419 62 A 4.2185 7.4988 120.2913 51.4396 18.4570 175.6091 63 K 4.0338 7.9627 121.7884 57.5477 35.9849 174.0471 64 T 3.6819 6.9359 113.6173 60.4106 65.2233 171.8956 65 T 4.7253 7.2765 120.5338 60.7221 72.4465 174.1593 66 K 4.7347 8.1872 122.2614 55.2476 34.2286 174.6037 67 K 4.9081 8.1237 119.1805 55.2353 36.1547 175.8503 68 V 3.7422 7.8929 119.1749 62.0900 31.9558 177.1768 69 V 4.3156 7.5804 114.7035 59.5697 32.7353 173.7391 70 L 5.2005 7.8399 121.7391 52.8256 46.2683 175.4802 71 R 4.7147 8.7846 120.0160 54.3848 33.8790 174.6044 72 L 5.1831 8.4941 122.4554 53.1227 44.3494 175.1011 73 E 4.9566 9.0283 124.4004 54.4175 32.0041 175.3633 74 C 4.3051 8.8762 125.4470 58.8409 33.0246 173.8721 75 V 4.4651 7.8236 124.1424 62.7259 31.5969 176.4421 76 K 4.2863 8.1588 119.0640 57.5519 32.9840 176.8976 77 C 4.2903 7.8979 110.9203 57.8172 30.5232 173.4932 78 K 4.1763 7.8444 117.0223 57.6459 28.8760 175.1628 79 T 4.5580 7.4956 115.3028 62.3368 71.1205 172.5633 80 R 5.0466 7.8939 119.1169 55.8848 34.4587 174.2943 81 A 4.7489 8.6566 119.5259 51.0142 22.8171 176.2605 82 Q 4.6551 8.6478 118.7854 55.2274 30.3369 175.2509 83 L 4.7323 8.1706 119.7829 53.0879 44.5670 176.5465 84 T 4.2707 8.0685 115.1336 61.0822 68.2971 174.1201 85 L 4.2462 8.1429 124.7835 54.8706 42.3349 176.5686 86 K 4.6394 8.4361 122.8122 55.1040 36.4121 174.0599 87 R 4.8268 8.4745 124.1596 55.2439 31.0018 175.1686 88 C 5.0256 8.4045 122.3481 57.8913 34.2557 175.3784 89 K 3.9534 8.9422 126.5959 57.0831 30.1434 178.7275 90 H 3.9272 9.4740 119.2022 55.9233 30.6477 171.2155 91 F 5.0364 7.2004 120.3806 57.2981 41.7729 172.2717 92 E 4.6443 8.0058 125.3782 54.7405 32.0257 174.9500 93 L 4.7852 8.5371 124.9774 55.1646 45.1757 175.1129 94 G 4.1050 10.0840 117.7672 46.5622 0.0000 173.5880 95 G 3.7821 7.2173 108.5657 44.0268 0.0000 172.7708 96 E 5.6133 8.6127 115.6189 53.4816 30.3630 174.8356 97 K 4.6662 7.3111 117.2845 54.5776 33.0258 175.2444 98 K 4.8406 7.4037 122.4993 57.0564 35.3129 175.0231 99 Q 4.4616 7.9861 112.4360 55.4917 29.7848 173.7959 100 K 4.4172 8.0898 119.2443 55.1679 34.6653 174.0147 101 G 4.3883 9.2504 110.9628 45.9687 0.0000 171.2269 *102 Q 4.9472 7.5870 119.8977 53.6365 28.3560 169.5732 103 A 4.3523 8.3232 125.2066 54.6979 21.1363 174.5647 *104 L 3.7196 8.2828 124.2607 51.9145 39.6974 170.2276 *105 Q 3.9067 8.1112 124.0323 56.1448 28.5522 176.4707 *106 F 4.0981 8.6712 119.4960 56.3333 37.9935 172.0303 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 8.30 4.53 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.97 0.00 2 V 8.65 4.25 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 0.70 0.00 0.00 0.86 0.00 0.00 3 N 8.75 4.78 0.00 2.75 2.65 0.00 0.00 6.78 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 4 V 7.32 4.50 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 0.95 0.00 0.00 5 P 0.00 4.56 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 6 K 8.68 4.18 0.00 1.89 1.86 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.72 7.81 7 T 7.81 5.09 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 1.23 0.00 0.00 8 R 8.64 4.79 0.00 1.70 1.80 0.00 3.13 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 9 K 8.53 5.13 0.00 1.66 1.79 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.44 7.81 10 T 8.78 4.76 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 11 Y 8.61 4.50 0.00 2.63 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 12 C 7.22 4.50 0.00 2.85 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.67 4.09 0.00 1.76 1.78 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.48 7.81 14 G 7.85 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 0.00 0.00 0.00 15 K 8.46 4.05 0.00 1.88 1.96 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 16 T 7.97 3.91 4.22 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 0.00 0.00 0.00 1.17 0.00 0.00 17 C 7.85 4.16 0.00 2.87 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.50 3.72 0.00 2.20 2.07 0.00 3.38 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 19 K 7.09 4.70 0.00 1.89 1.99 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.45 7.81 20 H 8.86 4.64 0.00 3.11 3.38 0.00 5.92 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 21 T 8.84 4.55 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 22 Q 8.55 4.82 0.00 2.19 1.93 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 2.42 2.41 0.00 23 H 9.25 5.29 0.00 3.17 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.05 4.90 0.00 1.81 1.93 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.58 7.81 25 V 8.44 4.72 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 0.91 0.00 0.00 1.06 0.00 0.00 26 T 8.66 4.79 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 27 Q 8.63 4.97 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 28 Y 8.26 3.76 0.00 2.98 2.96 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 0.00 0.00 0.00 29 K 7.85 4.22 0.00 1.82 1.65 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 1.25 7.81 30 A 8.34 4.84 1.25 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 0.00 0.00 31 G 8.22 4.25 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 0.00 0.00 0.00 32 K 9.03 4.16 0.00 1.65 1.49 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.45 7.81 33 A 9.05 3.52 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 34 S 8.97 5.79 0.00 4.04 4.19 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 0.00 0.00 0.00 0.00 35 L 7.74 3.74 0.00 1.49 1.25 0.79 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 F 6.80 4.42 0.00 3.20 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 37 A 7.10 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.88 4.23 0.00 2.27 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 39 G 8.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.69 3.99 0.00 2.09 1.89 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.49 7.81 41 R 7.93 4.00 0.00 2.11 1.98 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 42 R 7.98 3.94 0.00 2.03 2.03 0.00 3.27 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 1.72 0.00 43 Y 7.65 4.18 0.00 2.87 3.16 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 0.00 44 D 7.47 4.52 0.00 2.85 2.68 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 45 R 8.10 4.16 0.00 1.86 2.03 0.00 3.38 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 46 K 8.06 4.37 0.00 1.81 1.85 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.39 7.81 47 Q 7.65 4.41 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.71 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 48 S 8.04 3.73 0.00 3.86 3.74 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 49 G 9.18 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 50 F 8.91 3.57 0.00 3.07 2.96 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 0.00 0.00 0.00 51 G 9.67 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.75 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 53 Q 9.16 4.10 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 54 T 7.47 3.99 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 1.27 0.00 0.00 55 K 7.94 4.04 0.00 2.04 1.90 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.44 7.81 56 P 0.00 4.65 0.00 2.04 2.02 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 57 V 8.36 3.08 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 0.74 0.00 0.00 1.12 0.00 0.00 58 F 9.49 4.52 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 5.55 3.92 0.00 3.19 3.48 0.00 5.88 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 60 K 8.32 4.55 0.00 1.80 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.56 7.81 61 K 8.55 4.12 0.00 1.75 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.30 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.51 7.81 62 A 7.50 4.22 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 63 K 7.96 4.03 0.00 1.69 1.71 0.00 1.78 0.00 0.00 1.99 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.27 7.81 64 T 6.94 3.68 4.25 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 1.22 0.00 0.00 65 T 7.28 4.73 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 1.26 0.00 0.00 66 K 8.19 4.73 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.45 7.81 67 K 8.12 4.91 0.00 1.67 1.94 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 68 V 7.89 3.74 1.87 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 0.69 0.00 0.00 0.60 0.00 0.00 69 V 7.58 4.32 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 0.96 0.00 0.00 0.85 0.00 0.00 70 L 7.84 5.20 0.00 1.34 1.42 0.63 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.78 4.71 0.00 1.80 1.80 0.00 2.76 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 72 L 8.49 5.18 0.00 1.84 1.60 0.94 0.73 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 73 E 9.03 4.96 0.00 1.98 1.84 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 2.25 2.35 0.00 74 C 8.88 4.31 0.00 2.89 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 75 V 7.82 4.47 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 0.80 0.00 0.00 0.91 0.00 0.00 76 K 8.16 4.29 0.00 1.70 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.38 7.81 77 C 7.90 4.29 0.00 3.07 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 78 K 7.84 4.18 0.00 1.92 1.95 0.00 1.95 0.00 0.00 0.84 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.33 7.81 79 T 7.50 4.56 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 80 R 7.89 5.05 0.00 1.62 2.11 0.00 3.33 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 81 A 8.66 4.75 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.65 4.66 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 83 L 8.17 4.73 0.00 1.57 1.53 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.07 4.27 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 1.22 0.00 0.00 85 L 8.14 4.25 0.00 1.57 1.59 0.92 0.78 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 86 K 8.44 4.64 0.00 1.83 1.59 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 87 R 8.47 4.83 0.00 1.85 1.83 0.00 3.32 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 88 C 8.40 5.03 0.00 2.97 3.16 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 0.00 89 K 8.94 3.95 0.00 1.78 1.42 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.48 7.81 90 H 9.47 3.93 0.00 3.46 3.27 0.00 5.95 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.20 5.04 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.01 4.64 0.00 1.93 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 0.00 2.16 2.35 0.00 93 L 8.54 4.79 0.00 1.54 1.57 1.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 94 G 10.08 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 0.00 0.00 0.00 95 G 7.22 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 96 E 8.61 5.61 0.00 2.06 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 2.10 2.01 0.00 97 K 7.31 4.67 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.24 7.81 98 K 7.40 4.84 0.00 1.80 1.80 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.36 7.81 99 Q 7.99 4.46 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.92 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 100 K 8.09 4.42 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 101 G 9.25 4.39 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 0.00 *102 Q 7.59 4.95 0.00 2.18 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.06 1.66 0.00 103 A 8.32 4.35 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 *104 L 8.28 3.72 0.00 1.87 1.63 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *105 Q 8.11 3.91 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.20 0.00 0.00 0.00 0.00 0.00 2.15 1.91 0.00 *106 F 8.67 4.10 0.00 2.45 2.15 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 * Residues marked with a * may have inaccurate shift predictions.