NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5297 8.1733 120.1500 56.8415 34.1439 175.1415 4 Q 4.5862 8.3880 118.8539 55.9799 30.1745 170.9292 5 V 4.6689 9.8218 122.8837 61.4605 35.8841 173.3401 6 E 4.7678 9.2814 127.5121 54.8693 31.8866 175.0177 7 I 4.8982 8.1304 124.3773 59.4072 41.1180 174.2946 8 F 5.4113 9.3918 126.0201 55.8535 41.7675 174.5263 9 T 5.3168 8.6477 113.1885 60.4719 71.9660 172.4268 10 D 4.9144 8.3271 119.9485 54.5789 45.3563 174.0126 11 G 4.5836 8.8344 108.8244 44.8038 0.0000 171.5266 12 S 4.9326 8.9659 112.5451 57.1103 66.3140 172.8676 13 A 4.9260 8.3973 126.3725 50.3079 22.0141 176.5226 14 L 4.6147 9.4906 125.2943 52.5811 41.4154 176.7884 15 G 4.1500 7.2310 107.8644 45.8579 0.0000 173.0312 16 N 5.0183 7.7254 117.9708 51.7285 39.1674 171.7971 17 P 4.5862 0.0000 0.0000 61.6174 33.6313 175.3124 18 G 3.9394 8.3039 106.3145 45.1555 0.0000 170.6746 19 P 4.8667 0.0000 0.0000 62.7038 32.3867 176.2696 20 G 4.4325 9.3720 110.0040 45.7291 0.0000 171.2819 21 G 4.7693 9.1669 106.1458 45.3631 0.0000 171.7892 22 Y 5.5643 8.3972 118.0713 55.0877 41.8802 174.8588 23 G 4.6983 9.4862 107.1704 44.8774 0.0000 171.4625 24 A 5.5605 9.6745 125.8118 50.3291 23.2364 174.7086 25 I 4.9600 9.4114 122.8638 59.5005 40.0665 174.4475 26 L 5.0901 9.3474 130.4398 53.5774 43.8992 174.6833 27 R 5.1844 9.2734 127.9617 54.8521 32.6873 174.3314 28 Y 4.9373 9.6949 127.5813 56.9266 42.2885 174.7940 29 R 3.4420 9.0868 126.6366 57.2724 27.4427 178.5255 30 G 4.0389 8.0366 104.3524 45.9539 0.0000 173.6400 31 R 4.6328 7.6623 119.2186 54.5263 31.7920 174.9687 32 E 5.3473 8.4409 118.3798 54.6736 33.0598 174.4619 33 K 4.6370 9.4883 122.3003 54.9986 35.5434 174.7574 34 T 5.1527 8.0647 120.8945 61.8398 71.5940 173.7070 35 F 5.0752 9.0135 122.8314 56.0198 42.9810 173.9580 36 S 4.8919 9.0220 115.8736 58.2920 65.6284 173.7870 37 A 4.3387 6.9869 121.7234 50.8991 22.5091 175.1380 38 G 4.3986 8.3544 106.8324 44.6045 0.0000 171.7821 39 Y 5.3304 9.2347 120.1177 55.9433 40.9891 177.0877 40 T 3.8992 8.8413 113.1902 64.4524 70.2840 173.7107 41 R 4.5546 7.8690 121.7728 55.4695 32.1763 173.4572 42 T 4.0966 8.4881 123.2076 61.4027 70.9942 172.1941 43 T 4.8378 8.0905 108.2750 59.0281 72.3527 174.0603 44 N 4.2784 8.7293 120.4350 56.9449 38.9689 176.6124 45 N 4.2163 8.0708 117.3330 56.6532 38.5826 177.4239 46 R 3.9210 7.8714 119.1157 59.4503 30.0577 179.0758 47 M 4.1960 8.1289 118.5827 58.2484 32.0300 178.5976 48 E 4.0379 8.6822 119.2995 59.4274 29.6126 179.4902 49 L 3.9420 7.7436 118.4519 57.9019 41.6177 178.9733 50 M 3.7171 8.3547 118.3175 58.6149 31.8885 178.0703 51 A 3.6478 8.0862 120.5757 54.9595 18.4916 179.5366 52 A 3.8409 7.5404 117.8467 55.3998 18.4189 179.5088 53 I 3.4951 7.6838 118.3588 64.6276 36.9653 178.4196 54 V 3.3334 7.4512 117.8905 66.0647 31.6123 177.8038 55 A 3.2842 7.2688 119.8486 55.0207 18.3666 179.6663 56 L 3.7925 7.9680 117.8513 57.7957 41.4751 179.1782 57 E 4.1546 8.1924 116.5167 57.8475 29.5304 178.2538 58 A 4.2239 7.3626 120.2435 52.5866 18.8950 177.4150 59 L 4.2044 7.1609 117.9482 54.4562 42.1913 177.4573 60 K 4.6230 8.0913 124.3251 55.6343 32.8559 175.9125 61 E 4.8258 7.5731 113.4209 55.8755 31.2396 175.7075 62 H 4.3728 8.7076 117.9014 56.5351 29.0925 174.4921 63 A 4.4656 7.9860 122.0135 51.0642 22.8449 175.2862 64 E 4.2154 8.5212 119.3400 56.2804 30.5383 176.2244 65 V 4.5815 8.1552 125.3929 60.8722 34.2434 174.1833 66 I 4.4903 8.4078 128.5974 59.2630 39.8119 173.6410 67 L 4.5602 7.9900 133.0366 53.3989 43.7440 174.8341 68 S 5.5607 8.6475 121.5312 56.0335 64.9869 172.5465 69 T 5.1332 8.4479 119.8464 61.1685 70.6068 173.1042 70 D 5.1866 8.8200 125.1795 52.6542 40.3476 176.7485 71 S 4.3279 8.2254 116.3895 58.8366 63.2460 174.7522 72 Q 3.9739 8.8103 128.7401 58.7118 28.5580 177.8724 73 Y 4.2463 8.0288 120.3717 60.8462 38.9789 177.9462 74 V 3.7203 8.1161 119.2022 65.9633 31.5673 177.8832 75 R 2.5100 7.4651 117.8953 58.7196 29.7274 178.2820 76 Q 3.1757 7.4327 119.2404 58.7009 28.8271 178.1875 77 G 2.9276 7.1662 106.8379 47.7775 0.0000 175.6660 78 I 3.3611 7.4206 121.6442 63.5320 37.1602 177.9145 79 T 4.0930 7.2909 108.9200 62.5317 69.2401 175.5717 80 Q 4.3126 7.7117 118.7266 55.1656 31.5408 176.6756 81 W 3.9125 6.8519 116.2670 57.5884 30.3034 177.5719 82 I 3.1894 7.2967 119.8845 64.4885 37.4011 177.2814 83 H 4.0590 7.8769 114.9860 58.7882 28.2074 177.0733 84 N 4.1895 7.2235 118.5287 55.5646 38.4117 177.2364 85 W 4.1597 7.6000 120.4387 59.7380 28.9701 178.7270 86 K 3.0542 7.4480 117.9893 59.1197 31.2027 179.3633 87 A 4.0147 7.5545 119.7758 54.5053 18.3454 178.8777 88 R 4.3221 7.7409 114.2349 55.6445 30.5623 176.5742 89 G 3.7859 7.5934 106.5639 46.6876 0.0000 173.5668 90 W 3.5605 8.3799 115.7151 57.2346 27.4146 174.2801 91 K 4.5304 7.7800 116.4337 54.1013 35.0136 173.5851 *97 P 4.3577 0.0000 0.0000 62.4426 33.2454 176.1367 98 V 3.5675 7.5221 119.1947 63.1582 32.6778 176.9514 99 K 4.0619 8.3575 127.6949 57.3088 32.9681 175.9561 100 N 4.5246 9.2918 122.3675 53.4274 36.4472 176.7522 101 V 3.6786 7.6725 121.1618 64.8896 31.0363 177.0398 102 D 4.2371 8.0446 119.2167 56.4760 39.0118 178.7429 103 L 3.9832 7.7216 119.9888 56.9281 41.8344 179.0933 104 W 4.4056 8.1407 118.8742 60.1327 29.0669 178.5973 105 Q 3.4310 8.0861 118.1990 58.5359 28.0793 178.7775 106 R 3.8134 7.5235 119.7073 59.3527 30.0896 178.3852 107 L 3.9648 8.5243 120.3801 58.0619 41.8993 178.0467 108 D 4.5968 8.6866 117.0512 57.5822 41.4141 177.8687 109 A 4.1841 8.2011 120.6595 55.3323 18.1888 179.2524 110 A 3.9925 7.6575 117.3327 55.4581 18.5946 179.3468 111 L 4.3360 8.2788 114.5256 55.9293 41.7159 179.4492 112 G 3.7672 8.2150 107.3768 47.4137 0.0000 175.8833 113 Q 4.2827 7.8072 118.5613 55.4464 29.2985 175.0125 114 H 4.7591 7.6682 112.7908 56.0340 33.3638 174.8027 115 Q 4.4191 8.2878 120.3384 54.8242 27.8208 173.5381 116 I 4.0600 7.7788 122.4606 60.4632 38.5794 174.8588 117 K 4.3991 8.7581 128.5652 54.3284 34.3667 174.8599 118 W 4.4065 8.6463 127.5811 55.8496 30.5862 176.1557 119 E 4.2862 8.6441 124.6222 53.9191 31.1499 173.7016 120 W 5.1837 8.2340 126.1242 56.4984 29.7235 176.2374 121 V 4.3574 8.6540 117.4368 59.3215 35.0977 175.1427 *126 G 3.8169 8.4062 109.1386 45.9676 0.0000 172.0370 127 H 4.9127 8.3504 122.4106 52.5785 31.9345 173.4452 128 P 4.3621 0.0000 0.0000 64.9598 31.1301 178.6051 129 E 3.7159 7.7231 117.6167 59.1556 29.1338 178.7130 130 N 4.4427 7.8776 116.3831 56.2380 38.4904 177.0670 131 E 4.0066 7.9776 120.3641 59.1057 29.8406 178.7617 132 R 3.8860 7.9924 118.0557 59.2299 30.0449 178.8479 133 A 4.0762 8.1826 120.4945 55.0448 18.3619 178.9997 134 D 4.6626 8.1022 117.8588 57.1310 41.3386 178.4328 135 E 3.9812 8.4909 119.2031 59.3951 29.4353 179.4530 136 L 3.9676 8.0818 118.6852 57.7582 41.7511 179.4215 137 A 4.0734 8.3117 120.9486 55.2706 18.2977 179.9597 138 R 3.9602 8.4925 117.7314 58.7556 29.9246 179.1006 139 A 3.9702 7.9170 119.2864 55.1535 18.6905 179.2265 140 A 3.9918 8.1831 119.0726 55.2379 18.2105 179.7486 141 A 4.1099 7.9345 118.2993 55.2336 18.5295 178.9933 142 M 4.3059 7.5871 114.5304 56.1590 33.5231 176.2597 143 N 5.0411 7.8347 116.2825 51.1768 39.6851 173.0807 144 P 4.3816 0.0000 0.0000 63.1210 32.4370 176.9152 145 T 4.4628 8.1736 108.4110 60.7748 70.3266 172.8157 146 L 4.6544 7.6903 122.0600 52.7215 44.7347 174.3844 147 E 5.0092 8.3535 119.3020 54.6475 32.0891 175.5956 148 D 4.8003 8.6975 126.1297 53.1554 39.7626 176.3883 149 T 4.0745 8.3146 114.6098 63.4106 69.1889 176.4510 150 G 3.9108 7.8445 109.5339 46.7411 0.0000 174.0606 151 Y 4.2773 7.7692 122.5315 56.2401 37.1301 175.1541 152 Q 4.1581 7.7196 122.0001 55.4094 29.1449 175.7350 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 K 8.17 4.53 0.00 1.86 2.15 0.00 1.47 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.50 7.81 4 Q 8.39 4.59 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 5 V 9.82 4.67 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 0.98 0.00 0.00 0.59 0.00 0.00 6 E 9.28 4.77 0.00 1.99 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 2.16 2.28 0.00 7 I 8.13 4.90 1.57 0.00 0.00 0.66 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 0.54 0.78 0.00 0.00 8 F 9.39 5.41 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 9 T 8.65 5.32 4.33 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 1.27 0.00 0.00 10 D 8.33 4.91 0.00 2.85 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 11 G 8.83 4.58 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 12 S 8.97 4.93 0.00 3.92 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 13 A 8.40 4.93 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 14 L 9.49 4.61 0.00 1.48 1.68 0.97 0.87 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 15 G 7.23 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 0.00 0.00 0.00 0.00 16 N 7.73 5.02 0.00 2.68 2.68 0.00 0.00 6.98 7.69 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 17 P 0.00 4.59 0.00 1.70 1.41 0.00 3.93 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 1.97 2.15 0.00 18 G 8.30 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 0.00 0.00 0.00 19 P 0.00 4.87 0.00 2.08 2.00 0.00 4.00 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 2.11 1.95 0.00 20 G 9.37 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 0.00 0.00 0.00 0.00 21 G 9.17 4.77 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 0.00 0.00 0.00 22 Y 8.40 5.56 0.00 3.17 3.18 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 0.00 23 G 9.49 4.70 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 0.00 24 A 9.67 5.56 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.41 4.96 2.22 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 1.24 1.22 1.04 0.00 0.00 26 L 9.35 5.09 0.00 2.02 1.95 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.27 5.18 0.00 2.09 1.97 0.00 3.37 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 28 Y 9.69 4.94 0.00 2.85 2.83 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 0.00 0.00 0.00 0.00 29 R 9.09 3.44 0.00 1.62 1.66 0.00 2.79 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 30 G 8.04 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 31 R 7.66 4.63 0.00 2.05 1.86 0.00 3.07 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 32 E 8.44 5.35 0.00 2.10 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 2.17 2.29 0.00 33 K 9.49 4.64 0.00 1.76 1.67 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.42 1.06 7.81 34 T 8.06 5.15 4.13 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 1.20 0.00 0.00 35 F 9.01 5.08 0.00 3.10 3.15 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 36 S 9.02 4.89 0.00 3.74 3.76 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 37 A 6.99 4.34 1.01 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 38 G 8.35 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 0.00 0.00 0.00 0.00 39 Y 9.23 5.33 0.00 2.88 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 40 T 8.84 3.90 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 1.21 0.00 0.00 41 R 7.87 4.55 0.00 1.77 1.83 0.00 3.33 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.52 0.00 42 T 8.49 4.10 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 1.21 0.00 0.00 43 T 8.09 4.84 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 1.14 0.00 0.00 44 N 8.73 4.28 0.00 2.85 2.84 0.00 0.00 6.91 6.71 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 45 N 8.07 4.22 0.00 2.48 1.99 0.00 0.00 7.13 7.66 0.00 0.00 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 R 7.87 3.92 0.00 1.93 1.87 0.00 3.49 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 47 M 8.13 4.20 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.84 0.00 48 E 8.68 4.04 0.00 2.23 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 0.00 2.64 2.62 0.00 49 L 7.74 3.94 0.00 1.74 1.44 0.91 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.35 3.72 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.50 0.00 51 A 8.09 3.65 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 3.84 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 53 I 7.68 3.50 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.83 0.00 0.00 54 V 7.45 3.33 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 0.66 0.00 0.00 0.59 0.00 0.00 55 A 7.27 3.28 1.18 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 0.00 0.00 0.00 56 L 7.97 3.79 0.00 1.61 1.63 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.19 4.15 0.00 1.84 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 2.49 0.00 58 A 7.36 4.22 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 59 L 7.16 4.20 0.00 1.76 1.59 0.60 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.09 4.62 0.00 1.70 1.79 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 61 E 7.57 4.83 0.00 1.97 1.83 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 0.00 1.97 2.09 0.00 62 H 8.71 4.37 0.00 3.11 3.21 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.99 4.47 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 64 E 8.52 4.22 0.00 1.92 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 0.00 2.30 2.24 0.00 65 V 8.16 4.58 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 0.57 0.00 0.00 0.73 0.00 0.00 66 I 8.41 4.49 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.14 0.77 0.00 0.00 67 L 7.99 4.56 0.00 0.93 0.59 0.42 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.65 5.56 0.00 3.63 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 69 T 8.45 5.13 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 1.65 0.00 0.00 70 D 8.82 5.19 0.00 2.93 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 71 S 8.23 4.33 0.00 4.45 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 72 Q 8.81 3.97 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 73 Y 8.03 4.25 0.00 3.15 3.12 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 74 V 8.12 3.72 2.28 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 1.24 0.00 0.00 1.06 0.00 0.00 75 R 7.47 2.51 0.00 0.93 1.38 0.00 2.30 0.00 0.00 2.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 76 Q 7.43 3.18 0.00 1.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 77 G 7.17 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 0.00 0.00 0.00 78 I 7.42 3.36 1.47 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 -0.06 0.21 0.00 0.00 79 T 7.29 4.09 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 0.96 0.00 0.00 80 Q 7.71 4.31 0.00 1.17 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 1.83 2.16 0.00 81 W 6.85 3.91 0.00 1.78 1.74 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 82 I 7.30 3.19 1.68 0.00 0.00 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 1.67 1.19 0.81 0.00 0.00 83 H 7.88 4.06 0.00 3.29 3.43 0.00 5.51 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.22 4.19 0.00 2.49 2.70 0.00 0.00 7.16 7.68 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 85 W 7.60 4.16 0.00 2.76 2.26 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 86 K 7.45 3.05 0.00 1.60 1.73 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.32 1.06 7.81 87 A 7.55 4.01 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 88 R 7.74 4.32 0.00 1.77 1.95 0.00 3.23 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 89 G 7.59 3.79 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 0.00 0.00 0.00 90 W 8.38 3.56 0.00 3.54 3.24 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 91 K 7.78 4.53 0.00 1.68 1.63 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.41 7.81 *97 P 0.00 4.36 0.00 1.97 2.27 0.00 3.69 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 1.91 2.09 0.00 98 V 7.52 3.57 1.63 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 -0.43 0.00 0.00 0.43 0.00 0.00 99 K 8.36 4.06 0.00 1.77 1.74 0.00 2.00 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.46 7.81 100 N 9.29 4.52 0.00 3.30 2.96 0.00 0.00 7.36 7.68 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 0.00 101 V 7.67 3.68 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 0.93 0.00 0.00 0.78 0.00 0.00 102 D 8.04 4.24 0.00 2.82 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 0.00 103 L 7.72 3.98 0.00 1.54 1.55 0.83 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 0.00 104 W 8.14 4.41 0.00 3.45 3.65 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 0.00 105 Q 8.09 3.43 0.00 1.71 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 106 R 7.52 3.81 0.00 2.01 1.91 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 107 L 8.52 3.96 0.00 1.80 1.96 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.69 4.60 0.00 3.24 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 0.00 109 A 8.20 4.18 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 0.00 110 A 7.66 3.99 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 0.00 111 L 8.28 4.34 0.00 1.92 1.89 1.41 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.22 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 0.00 0.00 0.00 113 Q 7.81 4.28 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 114 H 7.67 4.76 0.00 2.96 3.07 0.00 5.69 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 0.00 115 Q 8.29 4.42 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 116 I 7.78 4.06 1.72 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 0.94 0.08 -0.28 0.00 0.00 117 K 8.76 4.40 0.00 1.63 1.46 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.31 7.81 118 W 8.65 4.41 0.00 2.66 1.74 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 0.00 119 E 8.64 4.29 0.00 1.80 1.71 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 2.22 2.21 0.00 120 W 8.23 5.18 0.00 3.28 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 0.00 121 V 8.65 4.36 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 1.02 0.00 0.00 1.14 0.00 0.00 *126 G 8.41 3.82 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 0.00 0.00 0.00 127 H 8.35 4.91 0.00 2.98 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.36 0.00 2.07 2.05 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 129 E 7.72 3.72 0.00 1.16 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 1.72 2.08 0.00 130 N 7.88 4.44 0.00 2.91 2.96 0.00 0.00 6.58 7.03 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 0.00 131 E 7.98 4.01 0.00 2.03 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 2.53 2.41 0.00 132 R 7.99 3.89 0.00 2.01 1.95 0.00 3.31 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 1.80 1.72 0.00 133 A 8.18 4.08 1.53 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 0.00 134 D 8.10 4.66 0.00 3.00 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 0.00 135 E 8.49 3.98 0.00 2.20 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 2.34 2.51 0.00 136 L 8.08 3.97 0.00 1.92 1.73 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.31 4.07 1.45 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 0.00 0.00 138 R 8.49 3.96 0.00 1.88 2.00 0.00 3.31 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 139 A 7.92 3.97 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 0.00 140 A 8.18 3.99 1.33 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 0.00 0.00 141 A 7.93 4.11 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 0.00 142 M 7.59 4.31 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 143 N 7.83 5.04 0.00 2.62 2.67 0.00 0.00 6.96 7.59 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 0.00 144 P 0.00 4.38 0.00 2.17 2.14 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.17 4.46 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 1.20 0.00 0.00 146 L 7.69 4.65 0.00 0.79 1.27 0.54 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.35 5.01 0.00 1.91 1.85 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 2.26 2.30 0.00 148 D 8.70 4.80 0.00 2.68 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 0.00 149 T 8.31 4.07 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 1.33 0.00 0.00 150 G 7.84 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 0.00 151 Y 7.77 4.28 0.00 3.10 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 0.00 152 Q 7.72 4.16 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.