NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1732 8.2649 123.5807 51.7803 20.4068 176.7033 *2 K 4.1175 7.7260 119.0491 57.1978 33.4111 177.9698 3 V 3.7656 8.3941 115.2654 63.7642 31.8155 177.0719 4 T 4.3354 7.6641 108.8302 61.8046 69.9594 176.3249 5 Q 3.9036 8.1830 124.3050 59.6786 29.0479 178.2222 6 L 4.0396 7.8765 119.2886 57.7726 41.6600 179.5675 7 S 4.1117 7.9912 114.8407 61.5286 62.8492 176.3883 8 S 4.0988 8.0342 115.8053 61.5794 62.1233 176.1759 9 E 4.0367 8.1899 121.1214 59.5363 29.0065 179.4845 10 T 3.8788 8.0835 116.0832 66.4580 68.4929 176.4575 11 L 3.9738 8.0776 122.2945 58.2594 42.0833 178.6339 12 D 4.4460 8.1234 118.8224 57.5013 40.7226 179.0704 13 R 3.9037 7.9248 117.9288 59.1812 30.0427 178.9619 14 A 3.9422 7.7989 120.7048 55.2557 18.3728 179.1695 15 H 4.3324 8.4583 116.7394 59.5728 29.9349 177.1515 16 E 3.9191 8.3276 120.4345 59.5966 29.4427 179.4135 17 R 3.8399 8.0878 118.4398 59.3438 29.9974 178.4785 18 F 4.2613 8.2972 117.5085 60.8048 38.7888 177.4210 19 E 4.0476 8.3279 118.0700 59.6657 29.0467 179.4112 20 E 4.0216 8.3014 117.6689 59.5717 29.7532 179.3795 21 T 4.0704 7.9399 115.6186 66.6129 68.3859 176.6140 22 L 4.0327 8.1439 120.9672 58.1455 42.1741 178.5950 23 A 4.1939 8.1849 119.8699 54.4221 18.3835 177.2410 24 Q 4.2972 7.7339 116.2216 56.6801 29.4196 176.3537 *26 T 4.2011 7.7027 107.6098 61.3936 71.2317 173.8504 27 V 3.6286 8.1150 120.9230 64.8527 31.2719 178.2128 28 A 3.9886 7.9534 120.1613 54.9374 18.5479 179.0001 29 E 4.0643 8.3919 116.8024 59.6047 29.5563 179.3822 30 A 4.1047 8.3658 121.0937 55.2292 18.2483 178.7673 31 N 4.6313 8.3006 112.4676 56.5166 39.4377 175.8693 32 T 4.3702 8.0287 119.2709 62.0016 70.6637 172.9546 *34 P 4.3935 0.0000 0.0000 63.4472 33.4850 175.7169 35 A 4.5505 7.3430 119.6788 50.3674 21.8833 174.9499 36 P 4.2006 0.0000 0.0000 65.3277 31.3571 177.8072 37 L 4.3362 7.7786 114.4191 54.3440 42.0748 175.8971 38 I 4.3187 7.2054 120.4362 59.2678 38.1633 175.7883 39 K 4.1572 8.3058 125.2643 55.4388 33.0068 177.8307 40 S 4.6867 8.3082 117.4942 57.6315 64.9611 175.4967 41 V 3.7766 8.3935 122.1727 66.5000 31.3793 177.9742 42 T 4.1513 8.0454 114.7220 66.5163 68.6628 175.8945 43 W 4.3987 8.5690 130.1469 60.4909 30.7023 178.3711 44 L 4.4590 8.4883 115.2050 55.5585 40.7177 178.5979 *46 W 4.5755 7.8860 130.7704 57.6703 32.4311 176.8484 47 H 2.8756 8.1066 117.7176 59.0196 29.0224 177.4201 48 T 3.4944 7.4041 117.2598 66.2715 68.2321 176.5472 49 A 3.3564 7.1945 122.1180 54.8419 18.2141 179.4745 50 R 3.4196 7.5426 118.9692 58.6659 29.5451 178.5557 51 E 3.8863 7.7225 117.6844 59.2911 29.4624 179.1155 52 L 3.8291 7.4520 119.8465 57.3295 41.5996 178.9293 53 D 4.1936 7.8153 117.7908 57.3804 41.2455 178.2900 54 L 3.9487 8.0763 119.7644 58.0006 41.7893 179.5895 55 Q 3.9436 7.9208 117.8382 58.5783 28.6611 178.6697 56 I 3.3468 7.7510 121.0549 64.2499 37.2594 178.5239 57 S 4.0567 8.2574 116.0945 61.4490 62.6365 176.6457 58 A 3.9575 7.9433 123.3403 55.2708 17.9444 179.7085 59 L 3.8299 7.3044 115.7445 57.5341 41.6958 178.4512 60 N 4.6513 7.8942 114.2817 53.3118 39.1361 174.2743 61 H 4.1751 7.8125 115.1640 57.5987 27.0532 174.4371 62 S 4.9074 7.8481 111.8824 55.9845 65.5407 173.5025 63 D 4.5491 8.4647 121.4750 53.4433 41.3649 175.5189 64 P 4.9393 0.0000 0.0000 62.3363 33.3574 177.5542 65 L 4.1928 9.0478 120.9627 57.1654 41.5305 179.3250 66 W 4.5343 9.0184 128.6460 60.5414 30.5577 177.6723 67 L 4.0337 7.9647 117.6673 57.1820 41.6192 179.1041 68 S 4.1843 8.3803 114.1683 60.5848 61.4499 175.3559 69 Q 4.3833 8.3067 120.1082 54.7498 28.8259 175.4660 70 H 4.3808 7.5220 115.2898 55.8019 27.0517 177.1890 71 W 4.1205 7.1130 121.1618 60.0757 28.6137 177.7712 72 T 2.4800 6.9434 113.0097 64.7570 66.3741 175.8968 73 E 3.9003 7.7538 119.8427 58.9318 29.2368 179.4335 74 K 3.9502 7.6642 117.5775 59.4742 32.3227 178.9709 75 F 4.1176 8.6562 117.1482 58.5352 39.5090 175.6947 76 A 3.8141 8.2555 119.7007 52.8960 16.5660 177.1851 77 L 4.2448 7.8328 119.0658 55.5081 42.9948 178.6328 78 D 4.7923 8.3694 122.7436 53.5093 39.9080 176.3173 79 L 4.7097 7.2798 116.9055 52.5409 46.4074 174.7779 80 P 4.6234 0.0000 0.0000 62.4543 32.1226 177.2594 81 D 4.7780 8.7398 119.2341 57.2907 40.8951 177.2638 82 E 4.3977 8.1495 116.4926 56.2676 29.8116 176.3510 83 T 3.8952 7.5714 114.2207 62.8639 67.8627 174.0573 84 E 3.7274 8.2506 127.6908 53.9893 28.5391 176.0791 85 D 3.9092 6.7727 122.5676 55.4607 39.7101 178.6514 86 W 4.5112 6.6776 114.6594 58.2724 28.0559 175.5559 87 H 4.8911 8.1791 116.8460 55.7470 30.8043 172.7913 88 H 4.7026 8.2517 115.4441 56.4405 29.2952 175.9341 89 T 4.1871 8.7991 114.2635 60.8481 70.7232 174.0583 90 P 4.1344 0.0000 0.0000 65.7040 31.0299 178.5761 91 E 3.9840 7.9993 117.0243 58.8647 30.0572 178.1668 92 E 3.9918 8.2762 118.6213 59.3692 29.6866 179.1421 93 A 4.2258 8.0781 120.4850 55.1010 18.1182 179.4457 94 A 4.0577 7.6111 118.0662 54.6535 18.4922 179.2423 95 K 4.3033 7.6944 115.1881 57.0378 33.1579 178.0055 96 V 3.7475 7.2778 119.4190 61.4421 29.8686 174.9418 97 V 4.7584 7.6591 116.4782 59.0799 35.6157 175.4317 98 V 4.4922 8.5543 114.7678 59.5360 34.7990 176.0013 99 A 4.2670 8.4109 123.9563 53.5707 18.8161 177.6706 100 E 4.6797 7.7174 116.0580 53.4433 32.7647 176.3195 101 K 4.0491 8.7901 125.3812 59.6117 32.0862 178.9816 102 Q 4.0234 8.5657 119.9095 59.1812 28.7120 178.5016 103 L 4.0313 7.6059 120.3154 58.0995 42.0630 178.9528 104 L 4.2217 7.7480 118.6304 58.0546 41.5038 179.7358 105 S 4.4246 7.9478 115.8477 61.2216 62.8718 176.4187 106 D 4.4065 8.5105 121.9441 57.5316 40.2372 178.2458 107 Y 2.9329 8.0795 120.4583 60.0709 38.6566 177.6077 108 L 3.4987 7.9004 121.1684 57.8089 42.1197 178.7387 109 A 3.9096 8.2164 120.8423 55.0840 18.3352 179.4621 110 A 3.9997 7.9583 119.1918 55.5402 18.4950 180.1378 111 S 3.9652 7.8046 113.6592 61.4417 62.7830 177.0559 112 V 3.4504 7.9782 121.2637 65.8675 31.2332 177.9725 113 A 3.9866 8.1371 120.6255 54.8902 18.1713 179.2569 114 L 3.9255 7.9677 118.8522 58.7202 42.1225 179.3964 115 T 3.8756 7.7903 115.4909 66.7365 68.3210 176.8964 116 K 4.0566 8.2685 120.4319 59.3093 31.7913 179.4539 117 S 4.0755 8.0785 112.9310 61.4073 62.7056 175.2818 118 Y 4.0392 8.2351 122.2857 60.7217 38.3657 178.0152 119 L 4.0343 8.2017 119.0971 57.8780 41.8102 178.8168 120 D 4.4040 8.2970 117.0979 56.6382 41.1838 177.3343 121 Q 4.2815 7.3713 116.2125 55.4485 30.0255 175.9183 122 I 3.6644 6.9418 119.8248 60.3629 38.8882 174.9379 123 K 4.4006 8.6736 126.6178 55.0191 33.6076 177.2559 124 E 3.8803 8.9695 123.4751 59.7476 29.1580 179.0703 125 E 4.1580 8.0239 114.9011 58.4965 30.3711 178.0056 126 Q 4.3746 8.1961 118.7827 57.3622 28.9281 177.7164 127 L 4.1360 7.9325 121.1758 57.0779 41.4457 178.2682 128 S 4.4879 7.7829 110.6816 58.2350 63.8341 173.9988 129 D 4.3638 7.8723 122.5366 54.6595 41.0446 175.6198 130 V 4.2209 8.3220 123.8080 62.1934 31.8693 175.4055 131 I 4.2963 8.5659 120.5146 60.7636 39.2209 175.2328 132 D 4.5189 7.6850 120.2483 52.8529 42.2422 175.0004 133 K 4.4530 8.6384 125.1748 57.3340 32.3404 176.9727 134 N 4.7438 8.9871 116.9565 52.8424 38.7437 174.9377 135 W 5.1415 7.7334 115.6962 55.6362 33.2825 174.6345 136 T 4.5993 8.5977 110.3889 59.0677 70.2852 172.1880 137 P 4.5495 0.0000 0.0000 61.4025 32.1941 174.0040 138 P 4.7128 0.0000 0.0000 62.9091 32.1957 176.2935 139 V 4.0616 8.7694 123.5232 62.3215 32.7959 175.7624 140 T 4.8110 8.2709 118.0819 60.3845 71.2472 175.7289 141 R 3.8355 8.7550 121.8488 59.6458 29.9547 177.9770 142 Q 3.9308 8.3634 119.5915 59.4278 28.9508 178.6509 143 V 3.4990 7.4806 118.4513 66.1078 31.5264 177.8868 144 R 3.7517 7.9977 118.2087 59.3765 29.8777 178.4781 145 L 3.9352 7.9931 118.7711 57.7104 41.5452 179.6432 146 V 3.5277 7.7880 118.1408 66.0511 31.4150 178.0307 147 S 4.0034 8.3403 115.0772 61.7267 62.8087 176.7223 148 A 4.1472 7.8779 124.4614 54.6105 18.0968 179.8619 149 I 3.6381 7.6955 118.3311 64.4329 37.0079 177.9181 150 D 4.3000 7.9633 117.7950 57.4324 41.0564 177.5352 151 D 4.5056 8.0100 116.7775 57.4447 41.5431 177.7924 152 A 4.3249 7.8450 120.7221 55.1582 18.4267 179.8868 153 V 3.4840 7.6483 114.3647 64.1513 31.4739 177.3817 *155 H 4.8406 8.2031 116.7786 55.3110 30.8924 175.8180 156 S 2.8827 8.0453 114.8964 60.9208 62.0968 176.9125 157 G 3.5068 7.8593 109.1479 47.5796 0.0000 175.6858 158 Q 4.0379 7.9292 119.8286 58.6576 28.7151 178.6070 159 A 4.1192 8.2452 121.9071 55.1534 18.3627 179.7817 160 V 3.6250 7.4476 115.4005 66.3523 31.5505 178.0059 161 Y 4.2029 7.8512 115.2097 61.4318 37.7919 178.2327 162 T 3.9114 8.2012 116.7658 66.7712 68.5931 176.3270 163 R 3.9492 8.4579 120.7871 59.7950 30.1476 178.7463 164 R 4.2691 7.9636 118.9607 58.7589 29.7906 179.0606 165 L 4.0435 7.8498 118.0162 57.0999 41.6702 179.0343 166 V 3.9529 7.6551 117.6420 64.3172 31.9558 176.5305 167 I 4.2230 8.1620 109.0507 59.9935 38.4980 176.4017 168 G 3.9620 9.5464 109.5234 45.4475 0.0000 173.8332 169 K 4.1028 7.5593 124.4364 57.1295 32.2921 175.6152 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 0 A 8.26 4.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 7.73 4.12 0.00 1.84 1.76 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 3 V 8.39 3.77 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 0.71 0.00 0.00 0.92 0.00 0.00 4 T 7.66 4.34 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 5 Q 8.18 3.90 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 6 L 7.88 4.04 0.00 1.72 1.69 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.99 4.11 0.00 4.04 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 8 S 8.03 4.10 0.00 4.00 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 9 E 8.19 4.04 0.00 2.21 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 2.33 2.57 0.00 10 T 8.08 3.88 4.39 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 1.20 0.00 0.00 11 L 8.08 3.97 0.00 1.76 1.84 0.90 1.09 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 12 D 8.12 4.45 0.00 2.97 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 13 R 7.92 3.90 0.00 1.94 1.96 0.00 3.28 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 14 A 7.80 3.94 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 0.00 0.00 0.00 0.00 0.00 15 H 8.46 4.33 0.00 3.32 3.50 0.00 5.62 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 16 E 8.33 3.92 0.00 2.16 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 2.33 2.63 0.00 17 R 8.09 3.84 0.00 1.86 1.99 0.00 2.86 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 18 F 8.30 4.26 0.00 3.35 3.02 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 19 E 8.33 4.05 0.00 2.16 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 2.53 2.47 0.00 20 E 8.30 4.02 0.00 2.08 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 2.36 2.52 0.00 21 T 7.94 4.07 4.47 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 1.30 0.00 0.00 22 L 8.14 4.03 0.00 1.81 1.92 1.00 1.44 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 23 A 8.18 4.19 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 24 Q 7.73 4.30 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.46 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 *26 T 7.70 4.20 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 1.23 0.00 0.00 27 V 8.11 3.63 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 0.80 0.00 0.00 0.99 0.00 0.00 28 A 7.95 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 29 E 8.39 4.06 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 30 A 8.37 4.10 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 31 N 8.30 4.63 0.00 2.87 2.91 0.00 0.00 7.05 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.03 4.37 4.37 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 1.23 0.00 0.00 *34 P 0.00 4.39 0.00 2.20 2.23 0.00 4.04 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 35 A 7.34 4.55 1.22 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 0.00 0.00 0.00 36 P 0.00 4.20 0.00 2.02 2.10 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 37 L 7.78 4.34 0.00 1.59 1.65 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.21 4.32 1.86 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 1.29 0.86 0.94 0.00 0.00 39 K 8.31 4.16 0.00 1.77 1.64 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.31 7.81 40 S 8.31 4.69 0.00 4.37 4.10 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 41 V 8.39 3.78 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 1.07 0.00 0.00 1.06 0.00 0.00 42 T 8.05 4.15 4.37 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 1.39 0.00 0.00 43 W 8.57 4.40 0.00 3.47 3.44 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 44 L 8.49 4.46 0.00 2.22 2.11 1.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 *46 W 7.89 4.58 0.00 3.40 3.26 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 47 H 8.11 2.88 0.00 1.49 2.51 0.00 5.83 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 48 T 7.40 3.49 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 1.13 0.00 0.00 49 A 7.19 3.36 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 3.42 0.00 0.67 0.92 0.00 2.23 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 51 E 7.72 3.89 0.00 2.15 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 2.01 2.23 0.00 52 L 7.45 3.83 0.00 1.62 1.57 0.74 0.84 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 53 D 7.82 4.19 0.00 2.66 2.74 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 54 L 8.08 3.95 0.00 1.82 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1.92 1.77 1.01 1.73 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 0.00 105 S 7.95 4.42 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.51 4.41 0.00 3.08 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 0.00 107 Y 8.08 2.93 0.00 2.34 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 0.00 108 L 7.90 3.50 0.00 1.57 1.56 0.52 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.22 3.91 1.41 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 0.00 110 A 7.96 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.80 3.97 0.00 3.45 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.45 1.92 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 0.97 0.00 0.00 0.75 0.00 0.00 113 A 8.14 3.99 1.41 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 0.00 114 L 7.97 3.93 0.00 1.89 1.85 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.79 3.88 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 1.18 0.00 0.00 116 K 8.27 4.06 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.44 7.81 117 S 8.08 4.08 0.00 3.90 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 0.00 118 Y 8.24 4.04 0.00 3.23 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 0.00 119 L 8.20 4.03 0.00 1.81 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.30 4.40 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 129 D 7.87 4.36 0.00 2.79 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 0.00 130 V 8.32 4.22 2.09 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 0.84 0.00 0.00 0.94 0.00 0.00 131 I 8.57 4.30 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.92 0.00 0.00 132 D 7.69 4.52 0.00 2.71 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 0.00 133 K 8.64 4.45 0.00 1.80 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.48 7.81 134 N 8.99 4.74 0.00 2.56 2.57 0.00 0.00 6.71 8.07 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 0.00 135 W 7.73 5.14 0.00 3.21 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 0.00 136 T 8.60 4.60 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 1.25 0.00 0.00 137 P 0.00 4.55 0.00 2.21 2.13 0.00 3.80 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 1.98 1.99 0.00 138 P 0.00 4.71 0.00 1.98 2.08 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 139 V 8.77 4.06 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 0.53 0.00 0.00 140 T 8.27 4.81 4.44 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 1.20 0.00 0.00 141 R 8.75 3.84 0.00 1.93 2.24 0.00 3.23 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 142 Q 8.36 3.93 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 143 V 7.48 3.50 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 0.83 0.00 0.00 0.86 0.00 0.00 144 R 8.00 3.75 0.00 1.86 1.99 0.00 3.04 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 145 L 7.99 3.94 0.00 1.86 1.70 1.04 0.70 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 0.00 146 V 7.79 3.53 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 1.06 0.00 0.00 0.90 0.00 0.00 147 S 8.34 4.00 0.00 3.94 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 0.00 148 A 7.88 4.15 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 0.00 149 I 7.70 3.64 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.01 0.89 0.00 0.00 150 D 7.96 4.30 0.00 2.60 2.89 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 0.00 151 D 8.01 4.51 0.00 2.86 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 0.00 152 A 7.84 4.32 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 0.00 153 V 7.65 3.48 2.06 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 0.98 0.00 0.00 0.97 0.00 0.00 *155 H 8.20 4.84 0.00 3.67 3.72 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.05 2.88 0.00 3.29 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 0.00 157 G 7.86 3.51 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 0.00 158 Q 7.93 4.04 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 159 A 8.25 4.12 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 0.00 160 V 7.45 3.63 2.25 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 1.13 0.00 0.00 0.94 0.00 0.00 161 Y 7.85 4.20 0.00 3.20 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 0.00 162 T 8.20 3.91 4.47 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 1.35 0.00 0.00 163 R 8.46 3.95 0.00 1.99 2.16 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 164 R 7.96 4.27 0.00 2.00 1.89 0.00 3.18 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 165 L 7.85 4.04 0.00 1.77 1.72 0.92 0.88 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 0.00 166 V 7.66 3.95 2.11 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 0.94 0.00 0.00 1.03 0.00 0.00 167 I 8.16 4.22 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 1.03 0.00 0.00 168 G 9.55 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 0.00 169 K 7.56 4.10 0.00 1.90 1.85 0.00 1.55 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.