NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.8167 8.4093 117.7945 51.7794 40.2141 174.0217 4 T 4.7807 7.6302 104.7843 58.1719 71.8994 172.4142 5 T 4.4836 9.0620 114.9734 60.6683 72.7674 176.5637 6 Y 4.0005 8.5062 121.5893 60.9550 38.6992 178.3407 7 V 3.6209 7.9263 118.5149 66.0544 31.7312 177.7531 8 Q 4.0518 8.1502 117.7324 59.2362 28.5489 178.8749 9 E 4.0642 8.1884 119.5119 59.2496 29.3835 178.5373 10 Y 3.4794 7.9346 119.9761 61.0993 38.7833 178.2625 11 H 4.1548 8.3882 116.6620 58.5595 28.4634 177.7391 12 A 4.0034 7.9265 122.6789 55.2314 18.2187 179.7527 13 I 3.3153 7.5609 118.6812 64.3402 37.0646 178.7716 14 V 3.3036 7.5059 119.3761 65.8293 30.9930 177.5276 15 E 3.9116 7.8706 118.1675 59.2127 29.1619 178.8972 16 V 3.6587 7.3902 117.8487 66.1144 31.7249 178.1719 17 L 3.7939 8.0305 119.0775 57.4506 41.2721 179.3296 18 S 4.0801 8.4613 113.7412 61.4134 62.2213 176.3012 19 K 3.9042 7.7010 120.0519 59.5823 31.7521 178.5732 20 Y 4.1984 7.8612 119.1088 60.9076 38.8460 177.7794 21 N 4.1725 8.3057 117.3038 56.1547 38.5810 177.0566 22 E 3.9936 8.8800 121.1076 59.3295 29.7729 178.9944 23 G 3.7531 8.2975 106.0105 47.7846 0.0000 175.8751 24 G 3.5335 7.9196 107.9812 47.4497 0.0000 175.8297 25 K 4.0332 8.1834 122.3911 58.8937 32.0825 178.3483 26 K 4.1597 8.4002 115.9861 55.5676 33.1791 176.2531 27 A 3.7397 7.6793 121.5357 52.9996 16.6002 178.6326 28 D 4.5439 8.5517 121.2941 52.5111 42.8836 175.6716 29 S 4.1509 9.1818 123.0577 60.8807 63.2081 176.3155 30 T 3.7970 7.6556 110.6792 64.5537 68.5039 175.5681 31 I 3.8829 7.2967 119.4788 62.0755 36.8632 176.5616 *33 R 4.2434 8.0539 122.9422 55.9087 31.2864 175.8297 34 P 4.3522 0.0000 0.0000 65.2236 31.6323 177.2761 35 A 4.0996 8.1850 119.5642 53.7065 19.3931 176.9736 36 F 5.2907 7.9903 114.1653 55.4386 41.1963 176.2408 37 S 4.4546 8.9905 118.4833 58.3760 62.9347 175.4764 38 S 4.2744 8.8485 119.4447 61.1662 63.0025 175.0621 39 Q 4.2267 8.0345 117.3900 56.1362 28.9432 175.7427 40 A 4.9835 8.0357 120.7898 51.9127 19.1349 177.1523 41 T 4.6570 8.4891 109.7073 59.7682 72.7579 172.6693 42 I 4.8788 8.1996 122.5225 59.3283 41.0888 174.1309 43 F 5.3959 9.1483 127.1234 56.3053 43.5760 174.6482 44 G 3.4923 8.8883 107.2856 45.2510 0.0000 171.0387 45 V 4.8458 8.0257 119.0504 60.9045 34.0901 176.1988 46 D 4.8500 8.7154 127.1618 51.8638 41.2765 177.2356 47 V 3.6169 8.3796 117.6877 64.8669 31.1746 176.3692 48 D 4.7025 8.2674 118.2725 53.6965 40.5993 175.7173 49 N 4.2470 8.0839 114.3647 54.1372 36.8639 174.2518 50 K 4.4979 8.2711 117.2389 54.3183 33.8329 176.0971 51 L 4.3582 8.3028 123.9238 55.5780 42.6738 176.3256 52 T 4.7495 9.6776 120.0502 60.7262 71.1995 171.2470 53 G 3.9223 9.5272 113.7384 45.0027 0.0000 169.4783 54 G 3.5787 8.1377 115.5821 43.3343 0.0000 174.6047 55 P 4.3941 0.0000 0.0000 62.0740 32.3356 177.6319 56 I 3.0673 8.0138 121.4527 63.5337 38.3459 177.4754 57 Q 3.8788 7.8229 120.7940 58.9005 28.7442 178.3657 58 G 3.4672 7.8256 106.9878 47.3373 0.0000 175.4661 59 L 3.6260 7.2341 122.4729 58.0247 42.0603 179.0560 60 F 4.3937 7.4035 117.1253 60.8123 38.7069 177.2957 61 D 4.3244 8.1912 118.5446 57.1946 40.5070 178.9859 62 V 3.4564 7.4690 118.2775 65.9132 29.9220 178.0659 63 I 3.1589 7.4685 119.5285 64.4845 36.7185 178.1872 64 D 4.6322 8.0747 118.2975 56.4878 40.9060 177.6436 65 N 4.8372 8.3366 114.2970 52.9416 39.6251 175.3470 66 V 4.2649 7.8168 118.5194 64.2630 33.5117 176.1388 67 F 4.6550 7.5815 115.3747 57.7508 39.4104 174.1005 68 H 5.1983 8.2901 118.7172 53.0471 32.5497 171.8872 69 P 4.4534 0.0000 0.0000 63.8622 32.0728 176.7006 70 S 4.6571 9.2106 120.6203 55.6661 63.7557 172.9410 71 P 4.2681 0.0000 0.0000 65.3731 31.3409 177.9418 72 E 4.1559 8.0505 115.6227 56.8839 29.9032 176.3961 73 A 4.5541 7.6231 122.0760 51.5135 19.1268 177.2697 74 K 4.6482 9.0087 121.2464 54.5055 35.7242 175.2874 75 A 5.3950 8.8555 125.9761 50.0457 22.0526 175.2360 76 A 4.5585 9.1174 122.0224 50.2793 22.1363 175.9433 77 I 4.4561 8.6320 124.1427 60.5638 35.6248 175.5888 78 A 4.2572 8.8253 129.2785 54.7048 19.2066 177.8604 79 R 4.7034 7.7798 113.5026 55.3687 33.8634 174.0099 80 I 5.0143 8.5816 125.8441 59.8173 40.2981 174.2412 81 D 5.0976 9.0939 127.6982 52.8053 43.0394 175.7825 82 I 5.0250 8.5370 122.9127 59.5804 40.8327 175.2092 83 V 4.3255 8.9672 126.6839 61.5886 34.3197 176.5194 84 G 3.8928 8.5627 119.4698 47.3238 0.0000 173.7429 85 T 3.9829 8.7671 116.1856 61.3646 69.3736 173.3319 86 A 5.5871 8.1807 124.5216 50.7273 22.3460 175.2634 87 A 5.0852 9.1164 120.5778 50.8615 23.3370 175.2017 88 S 5.3361 9.0050 113.4663 56.5968 65.9920 172.8460 89 A 5.2857 9.1903 125.8498 50.3511 23.1542 174.7409 90 R 5.1740 9.0653 120.1750 54.6133 33.3464 174.5972 91 I 5.2060 8.9051 126.2579 59.7135 41.1585 173.8797 92 D 5.5166 9.1200 126.6016 52.9685 43.6147 175.5566 93 T 5.1879 8.9230 118.8513 62.0717 72.4688 172.7152 94 D 5.0336 9.2362 126.3864 52.8990 43.3713 176.0918 95 D 4.0373 8.3534 118.5005 55.8416 38.3298 174.2416 96 I 4.3524 7.7199 119.5889 59.8700 39.0323 175.1360 97 S 3.5658 9.5769 126.8577 59.5611 60.7771 173.8139 98 G 3.6021 8.1657 104.4451 45.5540 0.0000 173.5560 99 F 4.8664 7.8523 118.5473 55.1554 42.4665 174.6442 100 R 5.0139 8.1441 116.7618 54.5192 32.2077 174.3140 101 F 5.6510 9.0910 121.6316 55.9762 42.9439 174.3098 102 T 5.1699 9.0733 117.4441 62.0095 71.3250 172.9329 103 D 5.3425 9.2304 126.1137 52.4165 44.2847 175.0589 104 F 5.4915 8.8798 121.0225 55.7642 42.1832 174.3551 105 F 5.3380 9.6694 121.9201 55.7689 42.4373 173.8349 106 N 5.4811 9.2293 120.3230 51.6598 40.8744 173.8915 107 L 5.4706 9.3591 123.4751 52.9685 46.1011 175.5732 108 L 5.3686 8.9586 120.9692 52.9461 45.9257 176.1427 109 K 3.6727 8.2823 124.9385 55.0827 31.8885 175.5300 110 V 4.0179 8.4793 128.0274 61.8097 32.8038 175.8715 111 E 3.8888 9.7880 128.6306 57.5211 26.8828 175.8698 112 G 3.8885 8.2928 104.2051 45.1574 0.0000 173.4220 113 K 4.6098 7.6543 119.0870 54.0117 35.9171 175.8507 114 W 4.7048 8.8434 124.7432 57.0369 30.0602 175.6106 115 T 4.8110 8.9000 117.7350 60.3998 71.0610 172.6896 116 V 4.3676 8.8626 129.0258 62.9989 32.3922 176.5487 117 V 4.4473 9.0922 120.5367 61.7618 34.0175 175.5333 118 S 5.1015 7.9305 114.8482 56.7976 66.0781 172.5136 119 K 4.8877 9.2780 128.1497 54.4576 35.2383 174.7092 120 I 5.8308 8.8022 119.3569 58.4921 41.3191 173.5591 121 Y 5.3574 7.8652 119.2913 55.9778 41.1913 173.3340 122 H 4.9926 9.5329 120.9545 54.8173 32.9355 172.4978 123 T 4.8436 8.4810 122.2588 62.6522 69.3077 174.4827 124 H 4.6583 8.9358 124.7343 54.2523 29.8138 173.9537 125 P 4.3123 0.0000 0.0000 63.4272 31.6503 176.5874 126 S 4.3030 8.5050 115.6366 58.8341 62.9170 174.0988 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 3 N 8.41 4.82 0.00 2.76 2.81 0.00 0.00 6.47 6.83 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 4 T 7.63 4.78 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 1.28 0.00 0.00 5 T 9.06 4.48 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 1.26 0.00 0.00 6 Y 8.51 4.00 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 7 V 7.93 3.62 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 1.14 0.00 0.00 1.03 0.00 0.00 8 Q 8.15 4.05 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 9 E 8.19 4.06 0.00 1.85 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 2.61 2.62 0.00 10 Y 7.93 3.48 0.00 2.12 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 11 H 8.39 4.15 0.00 3.26 3.34 0.00 5.68 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 12 A 7.93 4.00 1.54 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 0.00 0.00 13 I 7.56 3.32 1.20 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.36 0.45 0.00 0.00 14 V 7.51 3.30 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 0.81 0.00 0.00 0.21 0.00 0.00 15 E 7.87 3.91 0.00 2.09 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 0.00 2.31 2.30 0.00 16 V 7.39 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 0.84 0.00 0.00 1.07 0.00 0.00 17 L 8.03 3.79 0.00 1.46 1.45 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.46 4.08 0.00 3.89 3.99 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 19 K 7.70 3.90 0.00 2.07 2.06 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.62 7.81 20 Y 7.86 4.20 0.00 3.04 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 21 N 8.31 4.17 0.00 2.93 2.86 0.00 0.00 6.74 7.12 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 22 E 8.88 3.99 0.00 2.03 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 2.30 2.32 0.00 23 G 8.30 3.75 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 0.00 0.00 0.00 24 G 7.92 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 0.00 0.00 0.00 25 K 8.18 4.03 0.00 1.93 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.70 7.81 26 K 8.40 4.16 0.00 1.83 1.84 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.56 7.81 27 A 7.68 3.74 1.48 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 28 D 8.55 4.54 0.00 2.58 2.49 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 29 S 9.18 4.15 0.00 3.70 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 30 T 7.66 3.80 4.17 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 0.00 0.00 0.00 1.13 0.00 0.00 31 I 7.30 3.88 1.97 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 1.16 0.61 1.00 0.00 0.00 *33 R 8.05 4.24 0.00 1.31 1.75 0.00 3.06 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 34 P 0.00 4.35 0.00 2.09 2.12 0.00 3.93 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 A 8.19 4.10 0.98 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 0.00 0.00 36 F 7.99 5.29 0.00 3.21 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 37 S 8.99 4.45 0.00 3.99 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 38 S 8.85 4.27 0.00 4.05 4.04 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 39 Q 8.03 4.23 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 40 A 8.04 4.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.66 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 1.26 0.00 0.00 42 I 8.20 4.88 1.57 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.45 0.64 0.00 0.00 43 F 9.15 5.40 0.00 2.93 2.73 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 44 G 8.89 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 0.00 0.00 0.00 45 V 8.03 4.85 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 0.91 0.00 0.00 0.88 0.00 0.00 46 D 8.72 4.85 0.00 2.98 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 47 V 8.38 3.62 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 0.96 0.00 0.00 48 D 8.27 4.70 0.00 2.80 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 49 N 8.08 4.25 0.00 2.86 2.89 0.00 0.00 6.81 7.29 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 50 K 8.27 4.50 0.00 2.13 1.71 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.55 7.81 51 L 8.30 4.36 0.00 1.50 1.54 0.76 0.39 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 52 T 9.68 4.75 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 1.35 0.00 0.00 53 G 9.53 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 0.00 0.00 0.00 54 G 8.14 3.58 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 0.00 0.00 0.00 55 P 0.00 4.39 0.00 2.08 2.09 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 56 I 8.01 3.07 1.65 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.36 0.53 0.00 0.00 57 Q 7.82 3.88 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 58 G 7.83 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 0.00 0.00 0.00 59 L 7.23 3.63 0.00 1.35 1.20 0.65 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.40 4.39 0.00 3.13 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 61 D 8.19 4.32 0.00 2.80 2.67 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 62 V 7.47 3.46 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 0.61 0.00 0.00 0.84 0.00 0.00 63 I 7.47 3.16 1.92 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 0.85 0.00 0.00 64 D 8.07 4.63 0.00 2.70 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 65 N 8.34 4.84 0.00 2.74 2.85 0.00 0.00 6.77 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 66 V 7.82 4.26 2.41 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 1.08 0.00 0.00 0.98 0.00 0.00 67 F 7.58 4.66 0.00 3.14 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 68 H 8.29 5.20 0.00 3.01 3.17 0.00 5.87 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 69 P 0.00 4.45 0.00 1.96 2.04 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 70 S 9.21 4.66 0.00 3.72 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 71 P 0.00 4.27 0.00 2.17 2.19 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 72 E 8.05 4.16 0.00 1.96 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 2.29 2.29 0.00 73 A 7.62 4.55 1.37 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 0.00 0.00 0.00 74 K 9.01 4.65 0.00 1.68 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 75 A 8.86 5.39 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 76 A 9.12 4.56 1.24 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 0.00 0.00 0.00 77 I 8.63 4.46 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.85 0.00 0.00 78 A 8.83 4.26 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 79 R 7.78 4.70 0.00 1.95 1.83 0.00 3.47 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 80 I 8.58 5.01 2.03 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.79 0.74 0.00 0.00 81 D 9.09 5.10 0.00 2.71 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 82 I 8.54 5.02 2.03 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.65 0.97 0.00 0.00 83 V 8.97 4.33 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.56 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 0.00 0.00 0.00 85 T 8.77 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 86 A 8.18 5.59 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 87 A 9.12 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.01 5.34 0.00 3.94 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 89 A 9.19 5.29 1.13 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 0.00 0.00 90 R 9.07 5.17 0.00 2.16 1.88 0.00 3.29 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.00 91 I 8.91 5.21 2.19 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 1.25 0.58 1.19 0.00 0.00 92 D 9.12 5.52 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.92 5.19 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 94 D 9.24 5.03 0.00 2.57 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 95 D 8.35 4.04 0.00 2.84 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 96 I 7.72 4.35 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.82 1.23 0.00 0.00 97 S 9.58 3.57 0.00 2.83 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 98 G 8.17 3.60 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 0.00 0.00 0.00 99 F 7.85 4.87 0.00 2.76 1.82 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 0.00 100 R 8.14 5.01 0.00 1.93 1.92 0.00 3.03 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 101 F 9.09 5.65 0.00 3.14 3.03 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 0.00 102 T 9.07 5.17 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 0.84 0.00 0.00 103 D 9.23 5.34 0.00 2.74 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 0.00 0.00 0.00 0.00 104 F 8.88 5.49 0.00 2.92 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 0.00 105 F 9.67 5.34 0.00 2.89 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 0.00 106 N 9.23 5.48 0.00 2.70 2.80 0.00 0.00 6.62 7.18 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 0.00 107 L 9.36 5.47 0.00 1.68 1.87 0.85 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.96 5.37 0.00 1.57 1.46 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.28 3.67 0.00 0.79 0.97 0.00 1.27 0.00 0.00 1.28 0.00 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.79 0.21 7.81 110 V 8.48 4.02 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 0.89 0.00 0.00 0.88 0.00 0.00 111 E 9.79 3.89 0.00 2.04 1.91 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 2.19 2.24 0.00 112 G 8.29 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 0.00 0.00 0.00 113 K 7.65 4.61 0.00 1.67 1.65 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.42 7.81 114 W 8.84 4.70 0.00 3.13 3.09 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 0.00 115 T 8.90 4.81 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 1.30 0.00 0.00 116 V 8.86 4.37 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 1.16 0.00 0.00 0.64 0.00 0.00 117 V 9.09 4.45 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 0.79 0.00 0.00 1.06 0.00 0.00 118 S 7.93 5.10 0.00 3.93 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 0.00 119 K 9.28 4.89 0.00 1.62 1.47 0.00 1.25 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.96 0.21 7.81 120 I 8.80 5.83 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.43 0.98 0.00 0.00 121 Y 7.87 5.36 0.00 2.93 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 0.00 122 H 9.53 4.99 0.00 3.27 3.22 0.00 5.76 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 0.00 123 T 8.48 4.84 4.36 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 1.28 0.00 0.00 124 H 8.94 4.66 0.00 3.12 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.31 0.00 2.19 2.09 0.00 3.84 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 2.04 0.00 126 S 8.50 4.30 0.00 3.79 3.69 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 * Residues marked with a * may have inaccurate shift predictions.