NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2252 8.3344 116.7848 58.3689 65.0524 173.9357 -7 D 5.3186 7.5215 124.5764 50.7460 40.6937 174.0762 -6 P 4.2771 0.0000 0.0000 65.2542 32.2661 177.6604 -5 S 5.2105 8.1892 111.7868 58.1104 62.9500 174.5088 -4 S 4.7310 8.6326 115.7521 58.2838 64.6004 175.8693 -3 I 4.3732 7.7720 123.0067 63.0692 37.7719 177.6911 -2 N 4.7156 7.6276 116.2604 52.8763 39.5061 176.5995 -1 G 4.0910 7.8718 102.4984 45.3042 0.0000 172.2275 -7 G 4.6386 7.5115 112.9764 41.6460 0.0000 172.6762 -6 I 4.0271 9.1763 128.6550 63.0542 38.9661 176.7604 -5 V 4.8605 7.9092 115.2868 62.0104 32.0500 176.2088 -4 V 4.3810 8.3526 119.2521 62.1838 33.7004 177.5693 -3 A 4.5232 8.0120 126.9067 54.4692 18.0719 179.0911 -2 M 4.4556 7.5076 117.1604 55.1763 33.5061 177.6995 -1 T 4.4810 7.6918 107.2984 62.0042 67.9829 172.0275 8 G 4.0517 8.4338 113.3993 44.3305 0.0000 172.0125 9 K 4.0534 8.6026 123.2684 56.4349 31.6622 177.2134 10 D 4.8157 8.8765 125.6352 54.7761 38.5495 173.0883 11 C 4.7323 7.3757 112.4159 57.4745 32.7618 172.6004 12 V 4.9784 7.8084 111.4896 59.9448 35.3364 174.5943 13 A 4.6946 8.3557 123.0125 50.3550 22.3161 175.4215 14 I 5.2227 8.0975 119.5680 59.5527 40.9773 173.9881 15 A 4.9828 8.5852 129.6451 50.5770 22.4731 174.2168 16 C 5.5456 8.3473 112.6718 57.1466 32.9895 173.1080 17 D 4.8120 8.5547 120.0188 52.7631 41.2166 175.8016 18 L 5.0001 8.2467 115.1515 53.5900 43.4058 176.9253 19 R 4.4836 8.0133 119.8372 56.5048 31.2532 176.0181 20 L 4.2878 8.7698 126.9391 54.3115 44.9499 174.3720 21 G 4.6382 8.2692 114.4156 44.5901 0.0000 171.5888 22 S 4.6788 8.5752 113.0436 56.9158 63.8312 175.7991 23 Q 3.7429 8.2535 129.9878 56.7404 26.6561 176.1290 24 S 4.2184 8.9794 121.5817 61.4819 63.5296 174.2133 25 L 4.0404 7.8486 124.0935 54.3791 42.1483 175.9240 26 G 4.0646 8.5589 115.7154 45.3701 0.0000 172.5494 27 V 4.1916 8.4269 121.5693 63.4685 33.9467 175.7195 28 S 4.7801 8.3640 113.0448 56.5135 65.2941 173.2600 29 N 5.3762 8.7593 122.5259 52.7501 37.4978 174.6293 30 K 4.5856 8.1017 114.3919 57.0897 34.3691 177.2808 31 F 4.5232 8.5319 125.7315 57.4585 38.5378 174.1767 32 E 4.0347 8.1615 123.3509 55.5464 30.4562 176.4652 33 K 4.2617 8.3318 120.4742 55.9390 34.0681 175.0138 34 I 4.7355 6.9832 120.8985 59.4422 39.5978 174.7324 35 F 4.9792 9.2690 124.7235 56.0224 43.8011 173.5156 36 H 4.8062 7.4161 112.4777 54.2651 30.4813 172.4203 *38 Y 4.9516 7.8204 117.6568 58.7478 39.2158 174.9814 39 G 3.9084 8.2507 116.0062 47.4076 0.0000 173.3602 40 H 4.6517 8.9125 120.7200 55.1195 29.0744 174.4907 41 V 4.2065 7.4500 121.7761 61.8105 32.9915 174.5227 42 F 4.9960 9.1631 126.7874 55.8072 41.7545 174.6926 43 L 5.2624 9.5268 124.8369 53.6055 45.4270 175.0696 44 G 5.0114 9.2794 113.9481 45.7271 0.0000 172.3060 45 I 5.2366 8.4873 123.4569 59.6258 40.3821 175.0153 46 T 4.5480 8.6990 117.6502 60.4759 71.6677 172.8013 47 G 3.8048 8.8298 106.3833 44.0914 0.0000 173.0913 48 L 4.1231 9.0052 124.1955 54.9757 42.7289 178.5109 49 A 4.1746 10.6000 128.4871 55.9198 18.2398 179.1642 50 T 3.8377 7.9864 110.7505 65.3393 67.3362 175.7436 51 D 4.4230 8.1344 120.3968 56.7822 41.2450 178.5114 52 V 3.6573 7.9548 118.8973 66.4110 31.5334 178.3328 53 T 3.8371 8.2514 115.2787 66.9761 68.3109 176.7973 54 T 3.7613 7.8086 117.5638 66.7173 68.4056 176.6354 55 L 3.3555 8.2128 121.0431 57.4121 41.5639 179.0930 56 N 4.3155 7.5986 117.7996 56.2211 38.7875 176.7550 57 E 3.9571 8.0290 119.9085 59.4621 29.3844 179.1350 58 M 3.7240 7.8014 118.3002 58.7035 32.2367 178.4385 59 F 4.2914 7.8993 117.9219 59.8810 38.9251 177.9028 60 R 3.8089 7.9541 118.9214 59.4579 29.9662 177.4938 61 Y 4.0424 7.9105 119.3723 60.9556 38.7487 178.5786 62 K 4.2308 8.5554 119.6299 59.7961 32.2608 179.6327 63 T 3.9940 8.3139 110.2780 64.5236 68.5353 176.4697 64 N 4.3431 8.3542 119.6208 56.4464 38.7852 177.3417 65 L 4.0317 7.7975 119.8473 57.7561 41.6368 179.0696 66 Y 3.9884 8.1741 119.6456 60.6748 38.8119 178.0904 67 K 4.6180 8.3331 121.8631 59.1091 32.0523 178.7594 68 L 4.0290 7.8197 118.5646 57.2174 41.5419 179.1306 69 K 4.1561 7.6303 117.1633 59.0700 32.5899 178.8881 70 E 3.8813 8.2215 117.2132 56.5989 29.7445 176.5918 71 E 3.8771 7.9579 117.5445 56.6070 27.6645 174.0004 72 R 4.4176 7.2599 110.8728 55.4910 31.8692 173.3261 73 A 4.5280 8.5210 122.1089 51.2127 19.4790 177.5990 74 I 3.7239 8.2088 122.0611 61.1097 38.6364 175.7302 75 E 4.6358 8.3178 124.9472 54.0541 32.6345 175.3589 76 P 4.3693 0.0000 0.0000 66.1924 31.2977 178.5729 77 E 3.9706 8.2427 116.2836 59.9296 29.4607 179.5512 78 T 3.8721 7.8713 114.9646 66.5726 68.5998 176.2669 79 F 4.0499 8.4846 122.8541 61.5158 39.2952 176.9397 80 T 3.6501 8.0755 115.4818 66.9449 68.2170 176.3221 81 Q 3.8989 7.6956 119.5560 58.9548 28.7599 178.7469 82 L 3.8700 7.7460 121.2434 57.9477 41.9731 179.2897 83 V 3.3592 7.5326 118.6447 65.7548 31.4325 177.9217 84 S 4.0671 8.1021 113.3414 61.5339 62.1516 176.3574 85 S 4.1998 8.2989 117.1547 61.5504 62.4878 176.5792 86 S 4.1701 7.9740 118.0408 61.2822 62.8752 176.3757 87 L 4.2235 8.2498 121.8637 58.0446 41.4604 178.9463 88 Y 3.8416 8.1769 119.1179 60.1313 38.4223 177.4369 89 E 4.0222 7.9101 119.6312 58.0652 29.9590 177.0792 90 R 4.4242 7.6032 118.3797 55.1570 30.9654 178.0404 91 R 3.1994 7.2152 120.6022 59.0108 29.7660 177.1030 92 F 4.8809 7.1418 113.4867 56.8117 39.8033 176.2038 93 G 4.0623 7.4869 103.2602 44.0785 0.0000 172.3152 94 P 4.0297 0.0000 0.0000 62.5348 32.3502 175.5809 95 Y 4.3221 7.7514 116.7428 57.3968 39.0336 176.9840 96 F 4.6854 8.8707 125.2116 56.4810 37.4239 174.6913 97 V 5.0021 7.8370 113.7199 59.5415 36.5081 176.3055 98 G 4.1855 9.3555 109.0238 43.6489 0.0000 170.2730 99 P 4.9452 0.0000 0.0000 63.0164 32.9191 175.9333 100 V 4.4207 8.8131 121.8978 61.6020 34.8629 173.7525 101 V 5.0420 8.6242 127.4782 61.3003 33.5617 174.5182 102 A 4.7710 9.2266 128.0409 49.8497 22.9124 175.4245 103 G 4.4192 7.8507 107.8856 46.7247 0.0000 171.7440 104 I 4.5797 8.0595 120.4460 58.9309 39.2833 175.7388 105 N 4.9473 8.7601 121.8836 53.4568 38.7579 174.3024 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 S 8.33 4.23 0.00 3.84 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 -7 D 7.52 5.32 0.00 2.75 2.53 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 -6 P 0.00 4.28 0.00 1.13 1.48 0.00 3.22 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.63 0.00 -5 S 8.19 5.21 0.00 4.06 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 -4 S 8.63 4.73 0.00 3.75 3.77 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 -3 I 7.77 4.37 1.84 0.00 0.00 0.82 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 0.63 0.87 0.00 0.00 -2 N 7.63 4.72 0.00 2.76 2.74 0.00 0.00 7.60 7.60 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 -1 G 7.87 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 -7 G 7.51 4.64 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 -6 I 9.18 4.03 1.87 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 0.65 0.91 0.00 0.00 -5 V 7.91 4.86 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 0.59 0.00 0.00 0.93 0.00 0.00 -4 V 8.35 4.38 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 1.03 0.00 0.00 0.93 0.00 0.00 -3 A 8.01 4.52 1.29 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 0.00 0.00 0.00 -2 M 7.51 4.46 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 -1 T 7.69 4.48 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 1.21 0.00 0.00 8 G 8.43 4.05 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 0.00 0.00 0.00 9 K 8.60 4.05 0.00 1.84 1.71 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 D 8.88 4.82 0.00 2.85 2.72 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 11 C 7.38 4.73 0.00 2.89 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 12 V 7.81 4.98 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 0.68 0.00 0.00 0.88 0.00 0.00 13 A 8.36 4.69 1.10 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 0.00 0.00 14 I 8.10 5.22 1.81 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 1.26 1.08 0.77 0.00 0.00 15 A 8.59 4.98 1.15 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 0.00 0.00 16 C 8.35 5.55 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.81 0.00 2.72 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 18 L 8.25 5.00 0.00 1.62 1.82 0.97 0.98 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 19 R 8.01 4.48 0.00 1.85 1.87 0.00 3.24 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 20 L 8.77 4.29 0.00 1.60 1.53 0.74 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.27 4.64 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 22 S 8.58 4.68 0.00 3.70 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 23 Q 8.25 3.74 0.00 2.24 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 24 S 8.98 4.22 0.00 3.97 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 25 L 7.85 4.04 0.00 1.73 1.75 0.92 1.04 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 26 G 8.56 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 0.00 0.00 0.00 27 V 8.43 4.19 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 0.82 0.00 0.00 0.96 0.00 0.00 28 S 8.36 4.78 0.00 3.85 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 29 N 8.76 5.38 0.00 2.84 2.85 0.00 0.00 5.86 7.13 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 30 K 8.10 4.59 0.00 1.70 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.39 7.81 31 F 8.53 4.52 0.00 3.19 3.14 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 0.00 0.00 0.00 32 E 8.16 4.03 0.00 1.62 1.61 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 2.22 2.42 0.00 33 K 8.33 4.26 0.00 1.61 1.94 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.53 7.81 34 I 6.98 4.74 1.72 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 1.22 0.81 1.00 0.00 0.00 35 F 9.27 4.98 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.42 4.81 0.00 2.01 1.79 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.82 4.95 0.00 2.74 2.87 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 39 G 8.25 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 0.00 0.00 0.00 40 H 8.91 4.65 0.00 3.34 3.40 0.00 5.52 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 41 V 7.45 4.21 1.78 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 0.69 0.00 0.00 0.70 0.00 0.00 42 F 9.16 5.00 0.00 3.16 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 43 L 9.53 5.26 0.00 2.01 1.74 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.28 5.01 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 0.00 45 I 8.49 5.24 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.11 1.05 0.00 0.00 46 T 8.70 4.55 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 1.29 0.00 0.00 47 G 8.83 3.80 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 0.00 0.00 0.00 48 L 9.01 4.12 0.00 1.99 1.76 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.60 4.17 1.07 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 50 T 7.99 3.84 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 1.29 0.00 0.00 51 D 8.13 4.42 0.00 3.06 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 52 V 7.95 3.66 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 1.39 0.00 0.00 1.25 0.00 0.00 53 T 8.25 3.84 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 1.24 0.00 0.00 54 T 7.81 3.76 4.18 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 1.01 0.00 0.00 55 L 8.21 3.36 0.00 1.55 1.58 0.91 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.60 4.32 0.00 1.60 2.42 0.00 0.00 6.83 7.16 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 57 E 8.03 3.96 0.00 2.11 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 2.37 0.00 58 M 7.80 3.72 0.00 1.49 1.63 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 59 F 7.90 4.29 0.00 2.84 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 3.81 0.00 2.19 2.12 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 61 Y 7.91 4.04 0.00 3.17 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 62 K 8.56 4.23 0.00 1.96 1.97 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.61 7.81 63 T 8.31 3.99 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 0.98 0.00 0.00 64 N 8.35 4.34 0.00 2.97 2.86 0.00 0.00 6.88 6.36 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 65 L 7.80 4.03 0.00 1.78 1.77 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.17 3.99 0.00 3.18 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 67 K 8.33 4.62 0.00 2.16 1.97 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.58 7.81 68 L 7.82 4.03 0.00 1.85 1.70 0.89 0.96 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 69 K 7.63 4.16 0.00 1.62 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.67 7.81 70 E 8.22 3.88 0.00 1.54 1.72 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 1.62 1.47 0.00 71 E 7.96 3.88 0.00 2.09 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 2.23 2.19 0.00 72 R 7.26 4.42 0.00 1.98 2.00 0.00 3.02 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 73 A 8.52 4.53 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 74 I 8.21 3.72 1.08 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.11 0.66 0.00 0.00 75 E 8.32 4.64 0.00 2.05 1.88 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 2.41 2.38 0.00 76 P 0.00 4.37 0.00 2.19 2.17 0.00 3.65 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 2.17 2.22 0.00 77 E 8.24 3.97 0.00 2.07 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 2.42 2.49 0.00 78 T 7.87 3.87 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 1.22 0.00 0.00 79 F 8.48 4.05 0.00 3.00 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 80 T 8.08 3.65 4.40 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 1.16 0.00 0.00 81 Q 7.70 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 82 L 7.75 3.87 0.00 1.69 1.54 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.53 3.36 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 0.85 0.00 0.00 -0.63 0.00 0.00 84 S 8.10 4.07 0.00 3.86 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 85 S 8.30 4.20 0.00 4.09 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 86 S 7.97 4.17 0.00 4.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.22 0.00 1.89 1.76 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.18 3.84 0.00 3.17 2.95 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 89 E 7.91 4.02 0.00 2.12 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 2.28 2.34 0.00 90 R 7.60 4.42 0.00 1.68 1.65 0.00 2.91 0.00 0.00 2.82 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.00 91 R 7.22 3.20 0.00 0.67 0.98 0.00 2.64 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.14 4.88 0.00 2.99 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 93 G 7.49 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 0.00 0.00 0.00 94 P 0.00 4.03 0.00 1.84 1.80 0.00 3.58 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 1.42 1.79 0.00 95 Y 7.75 4.32 0.00 2.90 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 96 F 8.87 4.69 0.00 3.10 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 97 V 7.84 5.00 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 0.79 0.00 0.00 1.07 0.00 0.00 98 G 9.36 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 0.00 0.00 0.00 99 P 0.00 4.95 0.00 1.98 2.07 0.00 3.70 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 2.11 2.19 0.00 100 V 8.81 4.42 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 1.03 0.00 0.00 0.97 0.00 0.00 101 V 8.62 5.04 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 1.00 0.00 0.00 1.07 0.00 0.00 102 A 9.23 4.77 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 0.00 103 G 7.85 4.42 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 0.00 104 I 8.06 4.58 1.91 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 1.31 0.58 0.92 0.00 0.00 105 N 8.76 4.95 0.00 2.71 2.73 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.