NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.5393 8.5004 122.9757 52.0220 19.9659 175.6244 *2 A 4.0678 8.0701 121.3651 51.8525 19.3952 177.2071 3 T 4.8560 8.5216 110.2634 60.8316 67.0731 173.6120 4 L 3.9484 8.2633 128.5512 56.7795 41.0315 177.3692 5 T 4.4553 8.0601 115.0143 60.5601 69.0369 175.3251 6 E 4.0660 8.5209 123.8657 58.5517 29.7727 178.5752 7 D 4.5385 7.8332 118.3986 55.9814 42.1926 177.8804 8 D 4.3072 7.9969 118.1230 56.9664 41.2112 178.1213 9 V 3.5244 7.5690 118.8235 65.8976 31.5199 177.7957 10 L 3.9707 7.5078 117.2805 57.9325 41.3687 179.5548 11 E 3.9036 7.7794 117.9875 59.6602 29.3055 179.1572 12 Q 3.9152 8.2513 116.8586 59.1814 29.0390 179.0521 13 L 3.8596 7.8266 119.6975 57.5463 41.5571 178.9171 14 D 4.4305 8.0532 116.7602 56.8462 41.2639 177.5476 15 A 4.2243 8.1023 119.9652 52.5801 18.4684 176.8589 16 Q 4.5135 7.4843 117.6830 54.5265 29.8592 175.2732 17 D 5.1747 8.8472 121.6668 52.6683 40.0578 175.4079 18 N 4.9494 8.0093 115.7098 51.4527 40.2468 174.6262 19 L 3.3378 7.7072 122.6333 58.3257 42.1324 178.3109 20 F 4.3895 8.2813 118.4695 61.5089 39.4883 176.3021 21 S 4.0347 8.9090 115.6880 61.4175 63.4393 175.3367 22 F 4.1967 8.3540 123.9584 58.8111 37.1951 175.0862 *25 T 3.9173 7.7760 121.9052 63.4225 70.8573 176.8337 26 A 3.7549 8.0629 123.1440 55.1555 18.2704 179.1705 27 H 3.8483 7.6271 116.1705 59.4775 29.4618 177.0633 28 S 3.8967 7.6778 114.3281 61.4658 61.9049 176.2485 29 I 3.6116 7.7202 122.4439 64.4273 37.0164 178.1712 30 L 3.8027 7.8239 119.9229 57.7084 41.2733 179.5368 31 L 3.8537 7.7420 120.0116 58.3039 42.1465 179.1724 32 Q 4.0331 7.7015 117.2117 58.8441 28.4262 178.7756 33 G 3.7565 8.0974 106.0570 47.9058 0.0000 175.4723 34 I 3.8876 7.7997 122.0072 64.3340 37.0093 178.8686 35 R 4.0612 8.2793 118.8246 59.0818 29.8409 178.9003 36 Q 3.9847 8.6395 118.1393 58.0956 28.8425 177.7992 37 F 4.2947 8.1397 121.6583 60.3642 39.4304 177.2509 38 L 3.8824 7.3670 118.6991 57.4967 41.5208 177.7497 39 P 4.4991 0.0000 0.0000 65.0439 31.0666 178.1217 40 S 4.1451 7.2022 111.0280 59.8049 62.9905 175.7320 41 L 3.8146 7.0698 122.3430 55.5469 41.4838 176.4687 42 F 5.2014 6.8882 116.0980 54.7320 42.3890 174.9277 43 V 3.6899 8.5175 121.7574 63.9137 31.4664 175.5434 44 D 4.8587 8.2849 122.7483 52.7799 40.7752 176.0758 45 N 4.6650 8.2256 115.6232 52.4461 37.7934 174.4418 46 D 4.7214 7.6393 118.7684 52.5175 42.7888 175.3425 47 E 3.8258 8.7263 128.6233 59.7488 29.4748 178.5154 48 E 3.7371 8.1178 117.4015 58.9777 29.9118 178.8395 49 I 3.7300 7.7622 119.5725 64.2127 36.9011 178.5837 50 V 3.4934 7.5425 118.0743 66.0557 31.4700 177.4746 51 E 3.9370 7.4814 117.4482 59.2809 29.5569 177.7453 52 Y 4.6160 7.9771 115.3615 59.2389 38.4828 176.1676 53 A 4.5742 7.6543 118.9062 53.5837 20.6826 178.6998 54 V 3.3037 7.2300 112.8901 63.4465 31.1680 175.8047 *56 P 4.3403 0.0000 0.0000 62.1382 32.0042 178.5938 57 L 4.0614 7.9794 119.6901 57.1892 42.0691 177.9252 58 L 4.6128 7.4343 115.8990 54.0918 42.6453 176.3108 59 A 4.2236 7.5874 121.5042 51.2310 18.9773 177.4369 60 Q 4.2298 8.6229 119.6636 58.4983 29.1559 176.6623 61 S 3.7422 9.1792 118.8833 59.2808 61.5908 172.8632 62 G 3.9534 7.7779 110.3187 44.0307 0.0000 173.0879 63 P 4.3096 0.0000 0.0000 65.0087 31.1899 177.4822 64 L 4.8050 7.2924 113.5026 54.5610 42.2960 175.9062 65 D 4.8388 7.8201 116.8082 53.9585 41.5568 176.6015 66 D 4.7689 7.6562 116.1834 51.7757 45.3966 174.0788 67 I 3.7962 8.5051 126.3133 64.1627 38.1424 177.7664 68 D 4.4034 8.2525 119.6792 57.2099 40.7680 179.0029 69 V 3.6385 7.9897 119.0503 64.8428 31.4740 178.0387 70 A 4.0806 8.0521 122.0210 54.8259 18.1229 179.5850 71 L 3.9995 8.2813 117.4202 58.0555 41.7501 179.8335 72 R 4.1097 8.3356 118.1059 59.2803 30.0795 178.6045 73 L 3.9758 8.4733 120.2473 58.5519 41.8857 179.1297 74 I 3.8115 7.9090 118.3889 64.5643 37.2691 177.6123 75 Y 4.3002 8.4209 120.2688 60.6840 38.4271 177.7478 76 A 3.9414 8.3357 120.8304 54.4872 18.4923 178.5442 77 L 4.4413 7.8261 115.5429 53.0491 41.9281 172.8774 78 G 3.7520 7.6490 118.2087 44.8627 0.0000 172.8889 *81 D 4.6973 8.1648 124.1183 52.8481 40.8019 176.9883 *83 W 4.8405 8.9342 114.2571 56.3074 30.0210 177.0020 84 L 3.0355 6.4450 120.1716 57.4652 41.3789 177.9769 85 Y 3.6754 7.4693 118.9849 60.4146 38.4588 177.8713 86 A 3.8869 7.9265 121.0226 55.3147 18.6641 178.8346 87 D 4.4528 8.4370 117.6145 58.0873 41.0445 179.5373 88 I 3.9273 7.8484 119.8788 64.2697 37.0584 178.5970 89 T 3.6973 7.6380 116.8583 66.8799 68.1836 176.1955 90 H 4.3057 8.4958 118.3322 58.9933 28.6730 177.7935 91 F 4.2198 8.5439 119.1245 60.7463 38.7097 177.7588 92 S 4.3349 8.4807 112.7177 61.3997 62.2689 175.9852 93 Q 4.1415 8.8645 121.1666 59.3390 28.4820 178.4236 94 Y 4.3856 8.2132 120.2854 60.4590 38.6887 177.6896 95 W 4.3148 8.6210 129.6581 61.0228 30.7444 177.3054 96 H 3.6974 8.4233 116.3320 59.1621 28.1411 177.0381 97 Y 3.9294 8.0751 120.9206 60.7563 38.6071 178.1344 98 L 4.3684 8.2613 121.6478 56.9102 41.4592 178.6139 99 N 4.2819 7.5436 116.0077 54.9351 38.9923 175.9169 100 E 4.3497 8.0490 118.3612 56.0882 30.8442 175.7056 101 Q 4.0124 7.3247 116.0978 56.5861 30.8993 175.1972 102 D 4.1786 7.4288 122.0489 53.4145 42.6464 175.1566 103 E 4.3854 8.6803 124.5006 56.6361 30.3147 177.8705 104 T 3.9886 8.1093 110.3231 63.7288 69.2427 173.6710 105 P 4.5433 0.0000 0.0000 62.7506 31.8924 175.0812 106 G 4.1332 8.6002 109.1055 43.2542 0.0000 174.1015 107 F 4.2618 8.4013 116.5979 59.7584 38.9024 176.4623 108 A 4.9492 8.0656 121.1457 52.0953 19.4166 176.5690 109 D 4.8819 7.8513 118.9383 54.4930 43.3131 177.2078 110 D 4.5756 8.6926 121.2233 57.8074 40.8754 179.1311 111 I 3.6504 7.8190 118.4564 64.4506 38.0069 177.9038 112 T 3.9799 8.0497 116.1384 66.2467 68.2918 176.1441 113 W 4.2682 8.4960 130.2365 60.8914 30.6202 177.5687 114 D 4.2788 8.3381 117.6449 57.4516 40.4727 178.7416 115 F 4.0881 7.8073 120.7340 61.1839 39.4246 177.2166 116 I 3.0717 7.7875 112.9080 63.9056 36.9807 177.9523 117 S 3.7373 7.2483 115.7140 60.1937 62.5816 174.8610 118 N 4.5398 7.6754 117.2012 52.4733 39.0788 174.2817 119 V 3.9561 7.1000 120.0843 60.9198 31.7998 176.1118 120 N 4.1867 9.0715 126.4925 56.3568 38.6696 177.7627 121 S 4.0227 8.8494 112.6174 60.5792 63.2345 175.9357 122 I 3.8541 7.9614 122.9982 64.2787 37.6095 179.1171 123 T 2.9082 6.6815 116.2471 66.4428 68.6567 175.6068 124 R 3.8017 7.8292 119.6620 58.6288 30.2920 177.0866 125 N 4.4952 8.1745 116.5475 52.6684 38.5498 175.1269 126 A 4.0508 8.4845 129.7511 55.1541 18.5517 178.5596 127 T 3.8224 7.8874 106.7090 65.8118 68.6206 175.0760 128 L 3.8531 8.1316 122.7414 57.5476 41.6130 177.8099 129 Y 4.3989 8.5175 121.7961 61.4064 39.0829 178.6463 130 D 4.3778 8.3873 118.6193 57.0876 40.9936 178.1354 131 A 4.2020 8.0385 120.5838 55.1017 18.4363 180.1360 132 L 4.1041 7.6872 113.3762 55.5401 43.0944 177.5091 *134 A 4.0116 7.6980 120.6283 51.8631 18.6441 177.6913 *137 F 4.9596 8.0000 115.0863 56.2310 40.9747 174.5985 138 A 4.6447 7.1331 124.1204 50.7416 21.4565 172.4443 139 D 4.5643 8.3252 123.5970 54.3126 42.1389 173.6445 *142 V 3.6412 8.2694 125.4595 62.0627 32.9760 175.2184 143 W 5.1730 7.5071 122.2410 55.0104 29.5091 177.0889 144 S 4.3937 8.8524 119.2770 58.5872 64.1411 175.0823 145 E 4.0729 8.8213 122.2729 59.7867 29.2676 179.5479 146 A 4.0498 8.0776 120.2772 55.2104 18.2658 179.5142 147 R 3.8140 7.6673 116.1018 59.3117 30.1903 178.2199 148 F 4.3429 7.9860 119.6186 60.9513 39.6153 177.0766 149 S 4.2879 8.4085 115.2280 61.5241 62.6968 177.6358 150 G 3.5789 7.9027 105.9003 45.6845 0.0000 175.0454 *152 V 3.7977 7.7402 122.1655 62.2931 33.4347 177.5431 153 K 3.2524 7.7640 120.5606 59.3440 31.7966 178.7550 154 T 3.7835 7.7068 115.8248 66.7194 68.4335 176.2839 155 A 3.9896 7.7976 121.8590 55.0392 18.5738 179.4378 156 L 4.0607 8.0223 117.6593 58.3858 41.7351 179.7178 157 T 4.1791 8.1596 115.6834 66.8788 68.4609 176.3183 158 L 3.9799 8.5118 122.2351 57.9925 42.0257 178.7588 159 A 4.2891 8.4933 122.3643 54.6111 18.2818 180.0437 160 V 3.2461 7.8352 117.2919 65.2657 31.3783 178.6833 161 T 3.7953 8.0469 116.4835 66.4519 68.3444 176.3965 162 T 4.1388 7.9521 117.2466 66.0830 68.5480 177.3132 163 T 3.8310 7.8989 117.2440 66.5229 68.7424 176.1995 164 L 4.0465 8.0488 121.0229 57.7568 41.4559 179.5659 165 K 3.9301 7.7337 118.2841 59.6655 31.8698 178.7612 166 E 4.2513 7.8499 113.6268 57.3487 29.1279 177.2703 167 L 4.3673 7.6166 118.3766 54.3234 42.3052 176.6463 168 T 4.3111 7.4911 115.0240 61.8001 68.7456 174.0014 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 8.50 4.54 1.27 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 *2 A 8.07 4.07 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 3 T 8.52 4.86 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 4 L 8.26 3.95 0.00 1.71 1.69 0.88 0.60 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 5 T 8.06 4.46 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 6 E 8.52 4.07 0.00 2.06 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 2.38 2.28 0.00 7 D 7.83 4.54 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.00 4.31 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.57 3.52 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 0.90 0.00 0.00 0.91 0.00 0.00 10 L 7.51 3.97 0.00 1.88 1.70 0.92 0.92 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 11 E 7.78 3.90 0.00 2.23 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 2.31 2.37 0.00 12 Q 8.25 3.92 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.68 0.00 13 L 7.83 3.86 0.00 1.71 1.54 0.83 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.05 4.43 0.00 2.82 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 15 A 8.10 4.22 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 Q 7.48 4.51 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.15 0.00 0.00 0.00 0.00 0.00 2.52 2.25 0.00 17 D 8.85 5.17 0.00 2.85 2.81 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 0.00 0.00 0.00 0.00 18 N 8.01 4.95 0.00 2.90 2.95 0.00 0.00 5.75 6.67 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 19 L 7.71 3.34 0.00 0.91 1.61 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.28 4.39 0.00 3.16 3.33 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 21 S 8.91 4.03 0.00 3.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.35 4.20 0.00 3.55 3.28 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 0.00 *25 T 7.78 3.92 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 0.97 0.00 0.00 26 A 8.06 3.75 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 27 H 7.63 3.85 0.00 2.61 2.26 0.00 5.70 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 28 S 7.68 3.90 0.00 3.73 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 29 I 7.72 3.61 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.40 0.78 0.00 0.00 30 L 7.82 3.80 0.00 1.51 1.57 0.42 0.40 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 31 L 7.74 3.85 0.00 1.71 1.53 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.70 4.03 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 33 G 8.10 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 0.00 0.00 0.00 34 I 7.80 3.89 2.09 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.94 0.00 0.00 35 R 8.28 4.06 0.00 1.95 2.01 0.00 3.12 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 36 Q 8.64 3.98 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 37 F 8.14 4.29 0.00 3.12 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 38 L 7.37 3.88 0.00 2.04 1.78 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.50 0.00 2.11 2.14 0.00 3.59 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 40 S 7.20 4.15 0.00 3.71 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 41 L 7.07 3.81 0.00 0.27 0.87 0.72 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 42 F 6.89 5.20 0.00 3.01 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 43 V 8.52 3.69 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 0.87 0.00 0.00 0.96 0.00 0.00 44 D 8.28 4.86 0.00 2.89 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 45 N 8.23 4.66 0.00 2.83 2.93 0.00 0.00 5.79 8.06 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 46 D 7.64 4.72 0.00 2.69 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 47 E 8.73 3.83 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 2.33 2.40 0.00 48 E 8.12 3.74 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 2.32 2.38 0.00 49 I 7.76 3.73 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.89 0.00 0.00 50 V 7.54 3.49 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 0.74 0.00 0.00 1.00 0.00 0.00 51 E 7.48 3.94 0.00 1.80 1.27 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 2.09 2.22 0.00 52 Y 7.98 4.62 0.00 3.03 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 53 A 7.65 4.57 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.23 3.30 2.17 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 1.01 0.00 0.00 0.79 0.00 0.00 *56 P 0.00 4.34 0.00 2.23 2.12 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 57 L 7.98 4.06 0.00 1.96 1.62 0.87 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.43 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.33 4.56 0.00 2.99 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 *142 V 8.27 3.64 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 -0.74 0.00 0.00 0.60 0.00 0.00 143 W 7.51 5.17 0.00 3.32 3.05 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 0.00 144 S 8.85 4.39 0.00 4.14 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 0.00 145 E 8.82 4.07 0.00 2.11 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 2.49 2.44 0.00 146 A 8.08 4.05 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 0.00 147 R 7.67 3.81 0.00 1.94 2.24 0.00 3.73 0.00 0.00 3.29 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 148 F 7.99 4.34 0.00 2.97 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 0.00 149 S 8.41 4.29 0.00 4.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 V 7.74 3.80 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 1.11 0.00 0.00 0.26 0.00 0.00 153 K 7.76 3.25 0.00 0.81 1.52 0.00 1.24 0.00 0.00 1.43 0.00 0.00 3.28 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.30 0.96 7.81 154 T 7.71 3.78 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 1.17 0.00 0.00 155 A 7.80 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 0.00 156 L 8.02 4.06 0.00 1.26 1.42 1.10 1.07 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 0.00 157 T 8.16 4.18 4.55 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 1.27 0.00 0.00 158 L 8.51 3.98 0.00 1.84 1.81 0.92 0.97 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 0.00 159 A 8.49 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.84 3.25 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 1.13 0.00 0.00 0.82 0.00 0.00 161 T 8.05 3.80 4.48 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 1.21 0.00 0.00 162 T 7.95 4.14 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 1.33 0.00 0.00 163 T 7.90 3.83 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 164 L 8.05 4.05 0.00 1.89 1.67 0.80 1.13 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 0.00 165 K 7.73 3.93 0.00 1.89 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.65 7.81 166 E 7.85 4.25 0.00 2.15 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 2.58 2.51 0.00 167 L 7.62 4.37 0.00 1.76 1.57 0.80 -0.07 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 0.00 168 T 7.49 4.31 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.