NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5914 8.3493 120.5358 54.2010 42.2373 174.1139 3 F 5.0478 7.6532 116.0684 55.0942 41.5132 172.1895 4 H 5.0347 10.2394 117.2812 54.2501 33.5543 173.6843 5 I 5.3117 8.5598 122.1731 59.8031 39.6704 174.9562 6 R 4.7807 8.9225 121.2027 54.5007 33.3077 174.3870 7 K 4.8107 8.6847 119.2653 56.8207 32.5833 177.0519 8 A 4.7329 9.1994 126.4947 52.0761 19.6420 176.4979 9 T 4.6934 9.1107 109.1199 58.9271 72.1853 174.8282 10 N 4.2121 8.7026 118.5020 56.8244 38.0679 177.6403 11 S 4.2089 7.4358 114.9318 61.3764 63.0917 175.6736 12 D 4.5428 8.1992 119.7521 54.8709 40.4884 177.8762 13 A 3.7868 7.8478 123.1588 55.3468 18.3902 179.5819 14 E 3.8390 8.1094 116.1533 59.5118 29.5364 179.3907 15 A 4.0146 7.8600 120.2453 55.1480 18.4565 179.5967 16 I 3.3820 7.9050 118.6235 64.3207 37.0104 178.1924 17 Q 3.8973 8.2374 120.8309 59.6381 28.7271 178.2240 18 H 4.0920 8.2057 118.9761 59.1169 29.8158 177.3865 19 V 3.5111 8.0025 119.8556 66.0075 31.4438 177.8115 20 A 3.4452 8.1353 120.6469 55.2564 18.0427 179.8106 21 T 3.6185 7.9028 114.3205 66.9563 68.6657 177.1152 22 T 3.8522 7.9183 117.7859 66.6114 68.4280 176.6247 23 S 4.1523 8.2987 115.1182 61.2292 62.4392 175.9041 24 W 4.3647 8.7367 122.0597 60.5717 28.6912 178.3078 25 H 4.9335 8.2354 115.6171 58.5115 28.4071 177.3013 26 H 4.4405 8.3194 119.9943 59.5756 29.6614 177.5236 27 T 3.7736 8.1605 110.6814 64.4248 68.9528 175.1811 28 Y 4.3269 8.1048 117.7841 57.5348 37.8316 177.1375 29 Q 4.0547 7.5371 119.4082 58.6382 28.5656 177.2510 30 D 4.8194 7.9901 114.9434 53.8182 42.3178 176.1216 31 L 4.5242 7.8373 119.8510 55.2362 43.2635 176.3356 32 I 4.5183 7.4582 117.8882 57.8530 41.2266 173.4960 33 P 4.3056 0.0000 0.0000 62.9075 33.0737 177.5747 34 S 4.1798 8.7103 117.2189 62.1888 62.8364 177.0078 35 D 4.3306 7.9974 120.8720 57.1352 40.5923 178.8943 36 V 3.1509 7.5378 118.4183 65.8200 31.6052 177.8014 37 Q 4.1655 8.0280 117.8306 59.4157 28.5864 178.8844 38 D 4.3891 8.2917 119.7370 56.9641 40.8060 178.2907 39 D 4.2310 8.0260 118.7583 57.2755 41.1749 178.0601 40 F 4.3180 7.8512 122.2907 60.8380 39.3318 177.0327 41 L 3.7003 8.0101 118.8353 57.6174 41.4305 179.5041 42 K 3.8898 8.2035 119.6653 59.0667 31.8389 179.0263 43 R 3.8430 7.6871 118.6118 58.7285 30.2203 177.2908 44 F 4.6676 8.0296 117.9821 58.1661 40.4450 175.5285 45 Y 4.2305 7.4135 114.2400 57.2053 38.5343 175.5321 46 N 4.4633 7.2776 116.1568 52.4079 38.2074 176.2773 47 V 3.3237 8.2668 119.0674 65.9826 31.5767 177.8793 48 E 3.7772 7.9935 118.4480 59.7590 29.4641 178.8643 49 T 3.7655 8.2822 115.8613 66.4958 68.3932 176.7323 50 L 3.5810 7.8563 121.1415 57.8154 41.5452 179.0977 51 H 4.2463 8.1672 116.4730 59.0523 28.7730 177.5491 52 N 4.2946 7.8718 117.5522 56.3151 38.4896 177.7384 53 R 3.9343 8.0350 119.6815 59.4350 29.9555 179.2775 54 I 3.4102 7.5199 118.6338 64.3222 37.0491 178.4792 55 S 4.2416 7.9318 115.0465 61.1132 62.6622 175.9802 56 A 4.3681 7.6874 122.6276 53.3976 18.8861 177.2921 57 T 4.6765 7.2459 104.4722 59.2761 72.2836 171.7132 58 P 4.0505 0.0000 0.0000 62.6319 32.2397 175.3325 59 F 5.5170 9.1143 122.5695 55.6433 42.4596 174.0374 60 A 5.6053 9.5601 124.5261 50.4921 22.1926 175.7182 61 V 5.0293 9.0863 113.6733 59.5571 35.5908 174.3961 62 L 5.3570 8.9488 126.1908 53.5390 43.9171 175.0247 63 E 5.3538 9.4369 124.0832 54.9677 33.2529 174.4925 64 Q 4.7389 9.3053 120.9175 55.7152 33.2686 173.9880 65 A 3.5989 9.4288 127.8179 53.4399 16.1822 176.1903 66 D 4.4790 8.4820 114.0753 56.3211 40.0433 172.8964 67 K 4.5783 7.7205 116.6576 53.8807 35.3836 175.1316 68 V 4.3449 8.5102 126.0709 62.9296 31.9337 175.3133 69 I 4.5328 8.6641 119.8641 60.3428 39.1422 174.9503 70 G 4.4223 7.9338 108.3125 46.2322 0.0000 172.3212 71 F 5.6860 8.2999 114.7108 55.7144 41.8796 172.9341 72 A 4.9879 9.3782 120.7551 50.2896 23.0921 174.5718 73 N 4.6364 8.8472 120.0446 51.6035 41.4760 172.9923 74 F 5.4059 8.5595 125.2971 55.9318 41.1862 175.4907 75 I 4.6893 8.9491 123.8122 59.3346 40.6432 174.9355 76 E 4.4093 9.0328 126.9125 56.4568 30.1637 176.4922 77 L 4.3799 8.6518 124.1558 56.1482 42.9472 176.1451 78 E 4.6685 7.7026 113.7522 55.0583 31.4839 174.5074 79 K 3.8780 8.8713 119.7229 58.3109 32.0408 176.1108 80 G 4.0361 9.1396 112.9669 45.9667 0.0000 172.7408 81 K 5.1959 8.1823 118.0475 54.6704 36.7489 175.4191 82 S 5.2805 9.2487 116.7918 57.0405 66.9975 172.5441 83 E 4.9390 9.5872 120.8449 54.4396 32.6056 174.7543 84 L 4.4316 9.2506 129.8125 54.4461 40.5725 175.8837 85 A 4.4043 8.8969 127.7912 54.2177 19.3183 177.5117 86 A 4.8084 7.7460 115.4771 50.8917 23.1098 175.7383 87 F 4.6437 7.8859 123.6615 57.4858 41.9634 172.9824 88 Y 4.5839 7.8400 123.5418 56.1320 42.2622 174.4189 89 L 5.0254 8.1136 121.8944 52.3671 45.2209 176.5627 90 L 4.1094 8.6569 122.2675 54.2536 42.3350 176.9283 91 P 4.2048 0.0000 0.0000 65.7015 31.4021 178.3126 92 E 4.1833 8.0840 115.7451 58.1170 29.5895 177.6561 93 V 4.3063 7.6726 110.9575 60.9605 31.2790 175.8010 94 T 4.0662 7.3509 110.2586 61.8926 69.4689 174.3253 95 Q 3.5013 8.5628 117.3526 57.3365 25.9252 174.5153 96 R 4.4736 7.3891 110.4085 55.5652 31.6690 176.8348 97 G 3.9919 8.2930 106.6118 45.9533 0.0000 175.7828 98 L 3.7997 7.5663 120.0657 57.1651 41.5919 179.2887 99 G 3.5680 7.9278 105.5496 47.9930 0.0000 175.6254 100 T 4.0951 8.1597 117.8280 66.6216 68.4416 176.3225 101 E 4.0640 8.0459 120.1643 59.2933 29.4764 179.0721 102 L 4.1333 8.2462 120.5153 58.1402 41.9381 178.7530 103 L 4.3986 8.3101 118.9714 58.5278 42.2431 178.5443 104 E 4.1589 8.3015 117.2251 59.5068 29.7210 179.3168 105 V 3.9508 8.4305 118.8905 65.6280 31.6758 178.9571 106 G 4.2099 8.3690 105.5885 46.5234 0.0000 175.3390 *108 T 4.1488 8.1023 117.4420 63.2463 70.3037 176.4917 109 L 3.7939 7.8946 119.6203 57.2598 41.5601 178.2201 110 F 4.8511 7.7517 113.8174 56.5706 39.4595 175.4352 111 H 3.9389 7.8251 116.6766 56.7105 26.5493 175.7900 112 V 3.7555 7.4591 117.7101 62.0441 32.3182 173.6001 113 P 4.5565 0.0000 0.0000 62.5475 32.2435 175.1712 114 L 4.8067 8.0575 119.6650 52.5617 44.1661 175.9430 115 P 5.1659 0.0000 0.0000 61.9483 34.3081 174.8070 *117 F 5.0482 8.5510 116.3958 58.1224 40.9177 174.5812 118 V 4.7903 9.0029 120.3858 60.3172 34.8918 173.5400 119 N 5.2881 8.8083 121.0135 51.9715 40.2579 174.5185 120 V 4.4922 8.6611 123.5096 60.5081 35.2693 174.3454 121 E 4.3427 8.6231 126.1032 56.1006 29.8629 177.8712 122 K 3.8743 9.0916 126.8452 59.1008 32.4226 177.9780 123 G 3.6091 7.8099 106.0417 47.2143 0.0000 174.1962 124 N 4.4398 7.7239 119.7119 52.2167 37.1708 174.7139 125 E 3.9323 8.1945 125.5644 59.0679 29.8919 178.5948 126 T 3.7867 7.8187 115.0868 66.5350 68.5232 176.4175 127 A 3.8133 8.3939 122.7629 55.0769 18.3416 179.5805 128 I 3.6008 7.9764 118.6724 64.8766 37.1554 177.9972 129 H 3.9925 8.4497 119.1615 59.1523 29.6648 176.9446 130 F 3.9771 8.0378 122.2346 61.5396 39.1998 176.6828 131 Y 3.3806 7.4868 116.3055 60.7107 37.5362 178.7257 132 K 3.8530 7.9495 119.2701 59.5112 31.9432 179.2459 133 A 3.9262 7.8527 120.1055 54.6886 18.3282 178.9473 134 K 4.1044 7.3970 114.4482 56.7332 32.3373 177.8683 135 G 3.9718 7.8196 108.0346 44.9630 0.0000 173.8393 136 F 4.4380 8.1352 117.9884 57.2161 39.7495 175.1504 137 V 4.7079 8.8948 121.7140 60.7973 34.8036 174.5806 138 Q 3.9022 8.9901 128.6008 56.6951 28.9257 175.8049 139 V 4.4091 9.0156 119.1680 62.5473 34.3272 175.6437 140 E 4.8405 7.7437 117.0423 55.2468 34.2999 173.9293 141 E 4.9288 8.5373 121.6348 54.9799 33.0220 174.1072 142 F 4.8764 8.1238 119.3120 56.5383 41.9509 172.7113 143 T 4.9538 8.5894 116.7020 62.3626 69.5619 174.5500 144 E 4.4722 9.5799 127.3849 55.8778 31.3297 175.5766 145 D 5.0535 8.7780 123.7655 53.6448 42.0823 175.6377 146 F 4.8300 9.6182 129.8132 57.1977 39.8577 174.0266 147 Y 3.5618 9.1315 126.5912 58.8265 35.2982 172.5909 148 G 3.9614 8.9127 107.9883 45.3042 0.0000 173.7864 149 Y 4.7740 8.0394 118.1491 55.7884 40.2756 173.1713 150 P 5.0013 0.0000 0.0000 62.6281 32.7407 175.2390 151 L 4.7367 8.9788 125.6860 53.1054 44.9589 175.0049 152 E 4.6067 8.7563 126.8587 56.4776 31.0071 176.1064 153 T 4.8771 8.7280 120.6474 61.6467 72.7642 172.7877 154 I 4.5119 8.6463 126.3778 59.3467 40.0751 174.3546 155 R 4.9610 8.6847 127.6463 54.7747 31.9406 174.9680 156 F 5.5903 9.4411 124.8429 55.6864 42.9801 173.8367 157 N 5.1186 9.1856 117.3505 50.8917 41.0716 172.7715 158 L 4.3858 7.7130 120.9912 52.7509 44.9262 176.0146 159 N 4.8871 8.3583 123.3240 53.0174 40.1091 173.4902 160 H 4.3817 7.8056 117.4704 55.3591 28.5194 172.8391 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 2 D 8.35 4.59 0.00 2.61 2.47 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 3 F 7.65 5.05 0.00 3.16 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 4 H 10.24 5.03 0.00 3.23 3.18 0.00 5.56 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 5 I 8.56 5.31 2.03 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 1.14 0.00 0.00 6 R 8.92 4.78 0.00 1.90 2.03 0.00 2.84 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 1.61 1.72 0.00 7 K 8.68 4.81 0.00 1.77 2.04 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.25 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 1.33 7.81 8 A 9.20 4.73 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 9 T 9.11 4.69 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 1.24 0.00 0.00 10 N 8.70 4.21 0.00 2.64 2.70 0.00 0.00 6.80 7.57 0.00 0.00 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 S 7.44 4.21 0.00 3.95 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 12 D 8.20 4.54 0.00 2.78 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 13 A 7.85 3.79 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 14 E 8.11 3.84 0.00 1.98 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 2.35 2.33 0.00 15 A 7.86 4.01 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 16 I 7.90 3.38 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 -0.16 0.00 0.00 17 Q 8.24 3.90 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 18 H 8.21 4.09 0.00 3.28 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.00 3.51 2.37 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 1.18 0.00 0.00 1.08 0.00 0.00 20 A 8.14 3.45 0.41 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 21 T 7.90 3.62 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 1.08 0.00 0.00 22 T 7.92 3.85 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 1.19 0.00 0.00 23 S 8.30 4.15 0.00 4.02 4.01 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 24 W 8.74 4.36 0.00 3.46 3.41 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 25 H 8.24 4.93 0.00 3.21 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.32 4.44 0.00 3.31 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.16 3.77 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 1.21 0.00 0.00 28 Y 8.10 4.33 0.00 3.13 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 29 Q 7.54 4.05 0.00 2.31 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 30 D 7.99 4.82 0.00 2.62 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 31 L 7.84 4.52 0.00 1.50 1.82 0.90 0.57 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 32 I 7.46 4.52 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 0.94 0.00 0.00 33 P 0.00 4.31 0.00 2.02 1.95 0.00 2.88 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.10 0.00 34 S 8.71 4.18 0.00 3.85 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 35 D 8.00 4.33 0.00 2.66 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 36 V 7.54 3.15 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 0.63 0.00 0.00 0.78 0.00 0.00 37 Q 8.03 4.17 0.00 2.46 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 38 D 8.29 4.39 0.00 2.74 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 39 D 8.03 4.23 0.00 2.69 2.31 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 40 F 7.85 4.32 0.00 3.28 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 41 L 8.01 3.70 0.00 1.57 1.54 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.20 3.89 0.00 1.82 1.94 0.00 1.47 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 43 R 7.69 3.84 0.00 1.97 2.14 0.00 3.40 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 44 F 8.03 4.67 0.00 2.30 2.30 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 45 Y 7.41 4.23 0.00 2.94 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 46 N 7.28 4.46 0.00 2.93 3.05 0.00 0.00 6.62 7.55 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 47 V 8.27 3.32 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 0.87 0.00 0.00 0.83 0.00 0.00 48 E 7.99 3.78 0.00 2.00 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 0.00 2.31 2.36 0.00 49 T 8.28 3.77 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 0.95 0.00 0.00 50 L 7.86 3.58 0.00 1.60 1.38 0.88 0.93 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 51 H 8.17 4.25 0.00 3.25 3.25 0.00 5.64 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 52 N 7.87 4.29 0.00 2.81 2.82 0.00 0.00 7.07 8.10 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 53 R 8.03 3.93 0.00 1.69 2.08 0.00 2.21 0.00 0.00 2.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 54 I 7.52 3.41 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.73 0.00 0.00 55 S 7.93 4.24 0.00 4.02 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 56 A 7.69 4.37 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 57 T 7.25 4.68 4.43 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 1.28 0.00 0.00 58 P 0.00 4.05 0.00 1.55 0.49 0.00 3.72 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 1.94 1.85 0.00 59 F 9.11 5.52 0.00 2.99 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 60 A 9.56 5.61 1.70 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 61 V 9.09 5.03 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 0.97 0.00 0.00 1.10 0.00 0.00 62 L 8.95 5.36 0.00 1.80 1.68 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.44 5.35 0.00 2.07 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 2.40 2.35 0.00 64 Q 9.31 4.74 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.33 0.00 0.00 0.00 0.00 0.00 2.32 2.69 0.00 65 A 9.43 3.60 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 66 D 8.48 4.48 0.00 2.83 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 67 K 7.72 4.58 0.00 1.75 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 68 V 8.51 4.34 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 0.99 0.00 0.00 0.99 0.00 0.00 69 I 8.66 4.53 1.88 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 0.97 1.01 0.00 0.00 70 G 7.93 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 71 F 8.30 5.69 0.00 3.41 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 72 A 9.38 4.99 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.85 4.64 0.00 1.59 2.40 0.00 0.00 6.99 7.42 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 74 F 8.56 5.41 0.00 2.95 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 75 I 8.95 4.69 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.99 0.98 0.00 0.00 76 E 9.03 4.41 0.00 1.99 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 2.37 2.46 0.00 77 L 8.65 4.38 0.00 1.78 1.71 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.70 4.67 0.00 2.09 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 2.17 2.20 0.00 79 K 8.87 3.88 0.00 1.75 1.83 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.50 7.81 80 G 9.14 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 0.00 0.00 0.00 81 K 8.18 5.20 0.00 1.78 1.91 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.64 7.81 82 S 9.25 5.28 0.00 4.04 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 83 E 9.59 4.94 0.00 2.15 1.89 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 2.28 2.47 0.00 84 L 9.25 4.43 0.00 1.79 1.63 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.90 4.40 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 86 A 7.75 4.81 1.67 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 87 F 7.89 4.64 0.00 2.88 2.80 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 88 Y 7.84 4.58 0.00 2.35 2.58 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 89 L 8.11 5.03 0.00 1.30 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0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.55 1.53 7.81 133 A 7.85 3.93 1.17 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 0.00 0.00 0.00 134 K 7.40 4.10 0.00 1.84 1.77 0.00 1.42 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.39 0.46 7.81 135 G 7.82 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 0.00 0.00 0.00 136 F 8.14 4.44 0.00 2.62 2.88 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 0.00 137 V 8.89 4.71 2.12 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 1.05 0.00 0.00 1.02 0.00 0.00 138 Q 8.99 3.90 0.00 1.69 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.62 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 139 V 9.02 4.41 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 0.89 0.00 0.00 1.18 0.00 0.00 140 E 7.74 4.84 0.00 1.95 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 2.36 2.33 0.00 141 E 8.54 4.93 0.00 1.72 1.68 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 2.11 2.20 0.00 142 F 8.12 4.88 0.00 3.17 3.11 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 0.00 143 T 8.59 4.95 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 0.00 144 E 9.58 4.47 0.00 2.04 2.03 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 2.71 2.59 0.00 145 D 8.78 5.05 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.62 4.83 0.00 3.12 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 0.00 147 Y 9.13 3.56 0.00 3.20 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 0.00 148 G 8.91 3.96 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 0.00 0.00 0.00 149 Y 8.04 4.77 0.00 3.37 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 0.00 150 P 0.00 5.00 0.00 2.16 2.13 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 151 L 8.98 4.74 0.00 1.91 1.63 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.76 4.61 0.00 1.92 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 0.00 2.39 2.35 0.00 153 T 8.73 4.88 3.41 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 0.97 0.00 0.00 154 I 8.65 4.51 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.02 0.14 0.00 0.00 155 R 8.68 4.96 0.00 2.00 1.83 0.00 3.38 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 156 F 9.44 5.59 0.00 2.96 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 0.00 157 N 9.19 5.12 0.00 1.79 1.72 0.00 0.00 6.71 6.82 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 0.00 158 L 7.71 4.39 0.00 0.27 0.62 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.36 4.89 0.00 2.48 2.60 0.00 0.00 6.90 7.89 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 0.00 160 H 7.81 4.38 0.00 3.19 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.91 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.