NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3628 8.3049 120.3469 54.7955 33.3822 174.8358 2 L 4.0293 8.2552 123.2124 53.0359 42.0482 176.7106 3 T 4.3553 9.7007 116.8909 60.6830 72.5118 175.3596 4 E 3.9636 8.4780 119.8297 59.5369 29.3233 179.2746 5 D 4.3501 8.0089 118.5643 57.3441 40.8422 178.3162 6 D 4.2972 8.0010 119.3848 57.3606 40.7723 178.9822 7 K 3.7950 7.9462 118.8770 59.5041 32.0023 179.4883 8 Q 3.9658 8.1767 118.2366 58.9709 28.5390 178.7151 9 L 4.0481 8.1115 120.1537 57.7671 41.5417 179.7347 10 I 3.5802 7.9691 120.0271 64.4456 37.0211 178.4354 11 Q 4.0555 8.2949 119.2205 59.2853 28.3221 178.3598 12 H 4.2843 8.2057 118.0760 59.4909 30.0310 177.1474 13 V 3.8567 7.8983 120.1003 65.6695 31.3555 177.8619 14 W 3.9807 8.9502 128.9507 60.1836 30.3290 177.7537 15 E 3.9560 8.2044 116.8497 58.9242 29.1306 179.1731 16 K 3.9543 7.6485 119.9566 59.2042 32.1164 179.2086 17 V 2.0000 6.9349 117.8881 65.5406 30.9610 177.8354 18 L 3.7283 7.1873 117.3818 57.5204 41.4537 178.8738 19 E 4.2209 7.7012 119.4808 58.6534 30.6111 177.4531 *20 H 4.9394 8.0602 116.8527 51.7080 29.5741 180.1330 21 Q 3.9694 8.2966 124.2845 59.5978 28.9712 178.9005 22 E 3.9584 8.1200 119.2841 59.3701 29.8261 178.2994 23 D 4.3620 8.1144 118.3033 57.4609 40.9515 178.6883 24 F 3.8766 8.5541 118.1730 60.4394 38.9736 177.8124 25 G 3.8498 8.3978 105.0894 48.0462 0.0000 175.4697 26 A 4.0766 8.1380 123.4400 54.7759 18.3842 179.3595 27 E 3.8186 8.3264 117.6618 59.2801 29.7869 178.9524 28 A 3.9757 8.2130 121.0029 55.0474 18.4092 179.6614 29 L 3.5700 7.9877 117.5250 57.9046 41.5552 179.6527 30 E 4.1610 8.4870 118.8451 59.3547 29.3396 179.6487 31 R 3.9182 7.9990 118.3957 59.1888 30.1084 178.6889 32 M 4.2144 7.8290 117.7142 58.8298 32.4097 178.2684 33 F 4.5973 7.8946 117.9515 60.8171 38.8532 177.8376 34 I 3.8358 7.9397 118.5297 64.2968 37.0814 178.3358 35 V 3.5892 8.2219 118.2997 64.4965 32.8702 175.9078 36 Y 4.8457 8.1249 115.9870 54.6447 37.9848 174.2229 37 P 4.8126 0.0000 0.0000 65.4101 31.2832 178.3916 38 S 4.2506 8.2906 112.5128 61.2394 62.2217 175.7139 39 T 4.3974 8.6047 112.6634 64.2767 68.4336 176.5513 40 K 4.1230 8.2742 121.7537 59.1885 31.8024 178.6560 41 T 3.9946 7.6591 108.8183 63.7761 68.7339 175.2444 42 Y 4.1068 7.8351 118.6995 58.6695 39.1506 175.1843 43 F 4.7108 8.2634 119.5869 55.9204 39.6007 175.2273 44 P 4.3736 0.0000 0.0000 65.7290 31.6483 177.2971 45 H 4.5841 8.4614 112.6349 56.6846 29.1526 175.1634 46 F 4.7924 7.8406 119.7503 56.4928 39.8508 174.7983 47 D 4.5812 9.4589 125.0317 53.9747 41.0814 175.8230 48 L 4.5365 8.3382 125.8678 54.8423 42.1074 176.6283 49 H 4.3521 8.5848 117.2781 55.3534 29.2216 174.4493 50 H 4.5049 8.7436 120.3402 57.5936 29.8032 174.3568 51 D 4.3823 8.9292 124.5147 55.0860 39.1317 174.7598 52 S 4.2747 7.7070 114.4005 58.3280 64.7817 174.4559 53 E 3.8722 8.6709 123.5279 59.7204 29.3036 179.2453 54 Q 3.6526 7.8028 117.3768 58.8982 28.7193 178.8030 55 I 3.9289 7.5263 120.2331 64.4467 37.2403 178.7787 56 R 3.9446 8.1962 119.0298 59.5693 29.7991 178.5963 57 H 4.1501 8.7921 118.3873 59.5614 29.7684 176.8300 58 H 4.5364 8.8491 120.4704 59.1629 29.7558 177.3595 59 G 3.7183 8.7809 108.0957 47.8610 0.0000 175.5672 60 K 4.0472 8.1117 121.7757 59.1086 32.2026 179.1687 61 K 4.0358 7.8271 118.9976 59.2253 31.9700 179.5344 62 V 3.6007 8.0314 118.7233 66.1163 31.4737 178.2330 63 V 4.0214 8.1804 118.2140 66.0137 31.3300 178.1178 64 G 3.7217 8.6141 105.7231 47.9149 0.0000 175.5611 65 A 4.2164 8.2384 123.3925 54.8377 18.3154 179.7762 66 L 4.0253 8.3047 117.7837 57.6917 41.6718 179.9137 67 G 3.5658 8.7417 106.2380 47.9708 0.0000 175.5314 68 D 4.4284 8.2825 121.1916 56.9570 40.5542 178.7678 69 A 3.9913 7.7567 120.6588 54.9883 18.4368 179.4950 70 V 3.3591 7.5959 118.4374 66.6585 31.5988 178.8459 *71 K 4.1926 7.8964 122.0117 58.8045 32.2250 178.5747 72 H 5.1630 8.0933 115.9950 54.8535 29.4128 175.7332 73 I 3.7004 7.9432 121.2791 64.5506 37.2805 177.3316 74 D 4.6360 7.9279 117.0097 54.9972 41.6297 175.5207 75 N 5.0480 8.2394 118.9671 51.7909 39.4075 175.7713 76 L 3.8795 8.0555 120.2141 58.0742 42.0516 178.7112 77 S 4.0006 8.0928 113.9599 61.9823 62.6007 176.7969 78 A 3.9857 7.8164 121.0898 55.6747 18.3287 179.2622 79 T 3.9068 7.6307 112.7760 65.9854 68.7914 175.8524 80 L 4.4918 8.0306 118.7660 54.1984 42.0258 177.8856 81 S 4.0043 7.5630 115.5061 61.7773 62.3060 176.0307 82 E 3.9468 8.1065 120.9976 59.4008 29.4705 178.6315 83 L 4.1406 7.8582 118.7187 57.4872 41.7267 179.4319 84 S 3.9946 8.4317 115.0068 61.4357 62.9625 176.3692 85 N 4.0651 8.1726 120.1773 55.5514 38.1814 177.2358 86 L 3.9471 7.7768 121.3503 58.7145 42.3024 178.9288 87 H 4.2008 8.4745 115.7330 58.0630 28.5922 177.3559 88 A 4.2066 7.3791 123.3820 53.8020 18.8346 179.1316 89 Y 4.4178 7.4147 113.7718 61.0199 38.4115 177.1249 90 N 4.5967 8.3056 116.4375 55.9013 39.4752 175.8391 91 L 4.2527 8.2057 115.9559 54.7781 42.4555 176.8011 92 R 4.2054 8.0631 115.6697 55.9050 27.5075 176.8408 93 V 3.6836 8.3211 117.3523 62.3063 32.3307 174.9354 94 D 4.3615 8.9701 127.7799 53.5835 41.8603 174.9169 95 P 4.4417 0.0000 0.0000 66.0551 31.9024 178.4278 96 V 3.5880 8.1872 117.2685 66.2817 31.2220 177.8789 97 N 4.2785 8.1363 116.0352 55.8976 38.2003 177.4082 98 F 4.3490 7.6805 119.5040 60.4126 38.9064 177.7972 99 K 4.0593 8.0386 117.8289 59.1923 31.9134 179.3044 100 L 3.6896 7.5412 118.9491 57.6602 41.5068 179.3425 101 L 4.0258 8.0322 120.2935 58.0907 41.9937 179.0783 102 S 4.2209 8.3420 115.3279 61.8800 62.8032 176.1212 103 H 4.2556 8.4726 120.8629 59.7142 29.6841 177.1760 104 C 4.2001 8.3879 118.4003 62.5692 27.7894 175.9371 105 F 4.0333 8.4496 122.6441 61.3315 39.0047 177.2571 106 Q 3.9412 8.2694 117.8372 58.7701 28.3955 178.9577 107 V 3.3903 7.6000 119.3781 65.8328 31.5575 178.1577 108 V 3.3318 7.5037 117.8848 65.8654 31.1881 177.8988 109 L 3.8368 7.6123 118.7937 57.6726 41.4395 179.6970 110 G 3.2378 7.7962 105.5112 47.5896 0.0000 175.5042 111 A 3.8829 7.7853 122.4673 55.2708 18.4900 179.2257 112 H 4.1978 7.9839 113.2804 58.1676 29.1248 177.2715 113 L 4.3801 8.4197 120.6387 54.5502 42.3488 177.8742 114 G 3.7978 8.6565 108.1499 46.4109 0.0000 176.5681 115 R 4.1780 8.6912 120.2371 57.8043 29.4428 177.4565 116 E 4.1702 8.0358 117.9541 58.4215 30.1223 176.9367 117 Y 4.4461 7.6798 122.5901 56.3289 37.2349 174.6186 118 T 4.2013 7.3492 115.4013 60.4482 71.6171 173.5605 119 P 4.1733 0.0000 0.0000 65.6725 31.2562 179.0251 120 Q 3.9498 7.9471 116.5613 58.8647 28.6887 178.8385 121 V 3.5856 7.5415 118.7999 65.9772 31.5361 177.8205 122 Q 3.7343 7.7568 119.3959 58.9414 28.7670 178.3828 123 V 3.5628 8.0549 119.2633 65.9645 31.5162 177.6476 124 A 3.9692 7.8726 120.2851 55.7424 18.2465 179.3508 125 Y 3.9776 8.3089 115.0114 60.9244 37.8700 178.1864 126 D 4.4364 8.7210 119.6639 57.3187 41.4243 178.3325 127 K 3.9246 8.4606 119.3727 59.4495 32.0974 178.9637 128 F 4.1232 8.4397 120.8788 61.5309 39.3920 177.2418 129 L 3.6066 8.6916 118.5165 57.4921 41.3139 179.4597 130 A 3.9651 8.2295 120.8349 54.8170 18.3169 179.5939 131 A 3.8040 7.9014 119.4858 55.2079 18.4603 180.0462 132 V 3.2282 7.3907 116.7661 66.0149 31.2552 178.4878 133 S 3.5471 7.6356 113.7415 61.2065 62.8853 176.0550 134 A 4.0296 7.8825 123.5024 55.1730 18.2294 179.9004 135 V 3.6601 7.3311 117.7918 65.5569 31.4683 178.0039 136 L 3.9118 7.4362 116.0433 56.0060 41.6048 177.9112 137 A 4.4803 7.1402 119.3814 51.1691 19.5930 177.4236 138 E 3.9681 7.7951 117.1035 58.9062 29.3103 178.9839 139 K 3.9899 7.5202 117.6768 58.4263 32.3763 177.0825 140 Y 4.6222 7.9513 118.7892 59.3839 38.4265 176.5591 141 R 4.3122 7.9761 123.5712 56.1968 30.3862 180.7635 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 4.36 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 2 L 8.26 4.03 0.00 1.74 1.57 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.70 4.36 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 1.20 0.00 0.00 4 E 8.48 3.96 0.00 1.98 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 2.38 2.32 0.00 5 D 8.01 4.35 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 6 D 8.00 4.30 0.00 2.89 2.64 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 7 K 7.95 3.80 0.00 1.92 1.76 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.67 7.81 8 Q 8.18 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 9 L 8.11 4.05 0.00 1.83 1.77 0.91 0.91 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 10 I 7.97 3.58 1.68 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.45 0.16 0.00 0.00 11 Q 8.29 4.06 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 12 H 8.21 4.28 0.00 3.25 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.90 3.86 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 1.03 0.00 0.00 1.22 0.00 0.00 14 W 8.95 3.98 0.00 3.71 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 15 E 8.20 3.96 0.00 2.16 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 0.00 2.57 2.29 0.00 16 K 7.65 3.95 0.00 1.71 1.78 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.62 7.81 17 V 6.93 2.00 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 0.00 0.00 0.05 0.00 0.00 0.29 0.00 0.00 18 L 7.19 3.73 0.00 1.64 1.65 1.07 1.20 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 19 E 7.70 4.22 0.00 2.00 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 2.28 2.43 0.00 *20 H 8.06 4.94 0.00 2.77 2.92 0.00 7.23 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 21 Q 8.30 3.97 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 22 E 8.12 3.96 0.00 2.05 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 2.40 2.65 0.00 23 D 8.11 4.36 0.00 2.96 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 24 F 8.55 3.88 0.00 2.95 2.97 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 25 G 8.40 3.85 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 0.00 26 A 8.14 4.08 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 27 E 8.33 3.82 0.00 2.05 1.90 0.00 0.00 0.00 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 28 A 8.21 3.98 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 29 L 7.99 3.57 0.00 1.82 1.39 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.49 4.16 0.00 2.09 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 2.51 2.60 0.00 31 R 8.00 3.92 0.00 1.98 1.96 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 32 M 7.83 4.21 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 33 F 7.89 4.60 0.00 3.26 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 34 I 7.94 3.84 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.89 0.00 0.00 35 V 8.22 3.59 1.65 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 -0.07 0.00 0.00 0.86 0.00 0.00 36 Y 8.12 4.85 0.00 3.15 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 37 P 0.00 4.81 0.00 2.31 2.40 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.94 0.00 38 S 8.29 4.25 0.00 3.99 4.02 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 0.00 0.00 0.00 39 T 8.60 4.40 4.52 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 1.33 0.00 0.00 40 K 8.27 4.12 0.00 2.00 1.80 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.73 7.81 41 T 7.66 3.99 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 1.23 0.00 0.00 42 Y 7.84 4.11 0.00 3.09 2.56 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 0.00 0.00 0.00 0.00 43 F 8.26 4.71 0.00 2.78 2.48 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 44 P 0.00 4.37 0.00 2.20 2.19 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 45 H 8.46 4.58 0.00 3.45 3.51 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.84 4.79 0.00 3.10 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 47 D 9.46 4.58 0.00 2.60 2.64 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 48 L 8.34 4.54 0.00 1.52 1.44 0.48 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.58 4.35 0.00 3.31 3.25 0.00 5.84 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 50 H 8.74 4.50 0.00 3.09 3.29 0.00 5.90 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 51 D 8.93 4.38 0.00 2.70 2.64 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 52 S 7.71 4.27 0.00 4.04 4.12 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 53 E 8.67 3.87 0.00 2.02 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 2.34 2.40 0.00 54 Q 7.80 3.65 0.00 1.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 55 I 7.53 3.93 2.06 0.00 0.00 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 1.79 0.63 1.09 0.00 0.00 56 R 8.20 3.94 0.00 1.99 2.14 0.00 3.32 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 1.65 1.94 0.00 57 H 8.79 4.15 0.00 3.15 3.38 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.85 4.54 0.00 3.86 3.78 0.00 5.85 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 59 G 8.78 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 60 K 8.11 4.05 0.00 1.86 1.95 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 61 K 7.83 4.04 0.00 1.98 1.90 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 62 V 8.03 3.60 2.29 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 1.05 0.00 0.00 0.92 0.00 0.00 63 V 8.18 4.02 2.32 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 1.08 0.00 0.00 1.30 0.00 0.00 64 G 8.61 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 65 A 8.24 4.22 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 66 L 8.30 4.03 0.00 2.09 1.53 0.58 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.74 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.28 4.43 0.00 2.88 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 69 A 7.76 3.99 1.36 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 0.00 0.00 0.00 70 V 7.60 3.36 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 0.46 0.00 0.00 -0.34 0.00 0.00 *71 K 7.90 4.19 0.00 1.91 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.39 1.35 7.81 72 H 8.09 5.16 0.00 3.17 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.94 3.70 1.82 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.60 0.90 0.00 0.00 74 D 7.93 4.64 0.00 2.64 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 75 N 8.24 5.05 0.00 2.71 2.68 0.00 0.00 7.11 7.30 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 76 L 8.06 3.88 0.00 1.70 1.61 1.03 0.74 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 77 S 8.09 4.00 0.00 3.81 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.99 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 79 T 7.63 3.91 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 1.10 0.00 0.00 80 L 8.03 4.49 0.00 1.52 1.54 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.56 4.00 0.00 4.00 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 82 E 8.11 3.95 0.00 2.07 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 2.40 2.42 0.00 83 L 7.86 4.14 0.00 1.82 1.70 0.91 0.92 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 84 S 8.43 3.99 0.00 3.90 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 85 N 8.17 4.07 0.00 2.99 3.18 0.00 0.00 6.64 6.81 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 86 L 7.78 3.95 0.00 1.91 1.87 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.47 4.20 0.00 3.32 3.61 0.00 5.85 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 88 A 7.38 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.41 4.42 0.00 3.15 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 90 N 8.31 4.60 0.00 2.73 3.07 0.00 0.00 6.95 7.78 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 91 L 8.21 4.25 0.00 1.79 1.73 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.06 4.21 0.00 2.03 2.08 0.00 3.55 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 93 V 8.32 3.68 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 -0.21 0.00 0.00 0.74 0.00 0.00 94 D 8.97 4.36 0.00 2.77 2.52 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 95 P 0.00 4.44 0.00 2.26 2.28 0.00 3.58 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 2.34 0.00 96 V 8.19 3.59 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 0.97 0.00 0.00 0.94 0.00 0.00 97 N 8.14 4.28 0.00 2.42 2.56 0.00 0.00 6.99 8.56 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 98 F 7.68 4.35 0.00 3.23 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 99 K 8.04 4.06 0.00 1.97 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.57 7.81 100 L 7.54 3.69 0.00 1.63 1.19 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.03 4.03 0.00 1.77 1.71 0.95 0.95 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 0.00 102 S 8.34 4.22 0.00 4.15 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 0.00 103 H 8.47 4.26 0.00 3.34 3.60 0.00 5.78 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 0.00 104 C 8.39 4.20 0.00 3.23 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 0.00 105 F 8.45 4.03 0.00 3.41 3.34 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 0.00 106 Q 8.27 3.94 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.82 0.00 107 V 7.60 3.39 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 0.98 0.00 0.00 0.85 0.00 0.00 108 V 7.50 3.33 1.75 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 0.51 0.00 0.00 0.86 0.00 0.00 109 L 7.61 3.84 0.00 1.51 0.80 0.62 0.63 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 0.00 110 G 7.80 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 0.00 0.00 0.00 111 A 7.79 3.88 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 0.00 112 H 7.98 4.20 0.00 3.11 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.42 4.38 0.00 1.81 1.82 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.66 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 0.00 115 R 8.69 4.18 0.00 1.96 2.10 0.00 3.05 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 116 E 8.04 4.17 0.00 2.27 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 0.00 2.39 2.29 0.00 117 Y 7.68 4.45 0.00 2.89 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 0.00 118 T 7.35 4.20 4.34 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 1.28 0.00 0.00 119 P 0.00 4.17 0.00 2.16 2.13 0.00 3.58 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 2.11 2.17 0.00 120 Q 7.95 3.95 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 121 V 7.54 3.59 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 1.11 0.00 0.00 1.03 0.00 0.00 122 Q 7.76 3.73 0.00 1.72 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.75 0.00 123 V 8.05 3.56 2.24 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 1.02 0.00 0.00 1.02 0.00 0.00 124 A 7.87 3.97 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 0.00 125 Y 8.31 3.98 0.00 3.42 3.38 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 0.00 126 D 8.72 4.44 0.00 2.97 2.91 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 0.00 127 K 8.46 3.92 0.00 2.02 1.86 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.67 7.81 128 F 8.44 4.12 0.00 2.92 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 0.00 129 L 8.69 3.61 0.00 1.81 1.69 1.31 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.23 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 0.00 131 A 7.90 3.80 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 0.00 132 V 7.39 3.23 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 0.68 0.00 0.00 0.06 0.00 0.00 133 S 7.64 3.55 0.00 3.93 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 0.00 134 A 7.88 4.03 1.30 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 0.00 135 V 7.33 3.66 2.00 0.00 0.00 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 0.80 0.00 0.00 136 L 7.44 3.91 0.00 0.72 0.93 0.51 0.37 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 0.00 137 A 7.14 4.48 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.80 3.97 0.00 2.18 2.24 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 2.42 2.22 0.00 139 K 7.52 3.99 0.00 0.99 1.16 0.00 1.39 0.00 0.00 1.45 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.91 1.24 7.81 140 Y 7.95 4.62 0.00 3.17 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 0.00 141 R 7.98 4.31 0.00 1.77 1.63 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.