NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3613 8.2649 123.5953 52.1752 18.9909 175.6965 2 N 4.7616 8.5632 119.5298 52.1511 40.7587 174.7033 3 A 4.5972 8.5555 125.9822 53.3284 20.2215 178.4528 4 F 3.5790 8.0939 120.6742 59.8949 41.6205 175.9265 5 L 3.8859 7.4205 128.7421 54.9024 40.3465 176.5818 *8 L 4.3480 8.0762 123.2150 54.3110 43.7291 178.1593 9 R 4.2305 7.7259 116.3543 54.6326 30.8370 174.0509 10 P 4.5427 0.0000 0.0000 61.4655 32.4576 176.1268 11 G 3.7303 8.2322 107.1925 46.4045 0.0000 173.1948 12 S 4.3490 8.0435 116.0267 56.8437 65.3637 175.0260 13 L 3.9195 8.3018 128.5007 55.7546 41.0435 177.9184 *15 R 4.1317 7.9735 113.4468 55.8316 31.6373 176.8977 *17 C 4.9566 8.0633 115.9474 56.8345 42.0477 173.9405 18 K 4.3614 7.7903 118.0213 56.7199 32.0664 176.9619 *21 Q 4.3072 8.0476 117.6280 56.0826 29.5244 174.0679 22 C 4.9890 8.8208 118.1215 53.6798 43.7379 173.7318 23 S 4.7972 8.3849 116.1287 57.1697 64.6192 174.7467 24 F 2.8131 7.9081 121.7781 58.0428 36.6783 174.6286 *27 A 4.2431 7.7935 126.7150 51.9632 20.9521 179.4983 28 R 4.2660 7.5981 115.5096 56.0463 29.4715 178.6157 *30 I 3.8076 7.9355 117.7127 60.7320 38.8231 177.1773 31 F 4.2579 7.8728 116.7139 57.5823 39.4584 177.0925 32 K 4.3343 8.6854 124.5861 56.9753 31.4999 176.0917 33 D 4.5785 7.6607 117.1573 53.2745 42.0585 177.1916 34 A 4.2184 8.4945 125.4971 53.2853 18.0767 179.4343 *36 R 4.1891 8.1361 119.4426 58.0953 32.2800 178.2963 37 T 3.7698 7.7609 113.8824 66.6848 68.2691 175.9516 38 K 4.1107 8.5013 121.6975 60.2476 31.9356 178.4243 39 L 4.1057 7.7710 119.5723 57.9030 40.7952 178.6415 40 F 4.3067 7.8088 122.5787 61.1416 39.4004 177.0307 41 W 4.0125 9.0295 128.4005 60.2636 30.2674 177.4321 42 I 3.6541 7.9002 118.1576 64.3679 37.6257 177.4127 43 S 4.3085 7.8010 114.5989 60.4968 62.9039 175.7870 44 Y 3.6545 7.4442 122.4704 60.2042 38.4114 176.9641 45 S 4.0049 7.1348 111.9322 57.8883 63.1978 174.5642 46 D 4.1755 7.4510 122.8620 55.7485 41.1919 177.5673 47 G 3.7544 7.8693 104.2690 45.7787 0.0000 172.5150 48 D 4.4957 8.2693 121.6422 53.1358 40.5197 176.8763 49 Q 4.2245 9.2563 126.8906 57.8156 29.0171 176.7743 50 C 4.3334 8.2232 114.5548 57.0211 40.8343 175.3760 51 A 3.6839 7.6300 122.7873 54.7564 17.9482 178.4660 52 S 4.3301 7.9338 107.7120 57.7500 62.9804 174.0932 53 S 3.5782 7.9660 117.6695 59.4287 60.2480 171.5840 54 P 4.0219 0.0000 0.0000 64.6386 31.9570 177.9566 55 C 4.5896 7.1983 117.1864 55.9442 40.6719 173.4641 56 Q 4.1159 8.8386 125.6120 55.5975 29.4003 175.8460 57 N 3.7949 9.4581 112.8858 54.4699 35.8981 175.4193 58 G 3.7365 8.2937 102.3023 45.8175 0.0000 174.4865 59 G 4.0227 7.8447 107.0006 45.5737 0.0000 173.6819 60 S 4.9294 9.1679 115.9131 56.6889 65.8474 173.0093 61 C 5.3359 8.8584 124.4126 55.5155 46.4436 172.9244 62 K 4.6836 8.9212 123.6078 54.5073 35.4407 175.4472 63 D 4.8551 8.9440 125.3121 54.7941 42.1026 175.4968 64 Q 4.5326 8.4941 122.1810 54.5432 31.6683 173.8369 65 L 4.3881 8.4614 118.7268 55.8194 41.9311 176.9971 66 Q 3.6213 8.8848 123.7223 56.3893 27.2503 173.5621 67 S 4.5581 7.3835 111.4316 59.1292 66.3625 173.5435 68 Y 5.2202 7.5558 117.0170 56.8266 40.7122 173.7231 69 I 4.6022 8.8954 119.8085 59.7683 41.0411 173.9988 70 C 5.3619 8.9149 124.0644 55.6554 40.5428 173.0010 71 F 4.5868 9.6058 123.4621 56.2520 40.1206 174.5362 72 C 5.1546 8.7064 121.3312 55.2255 43.3673 174.0922 73 L 4.4221 8.5610 120.8363 53.9341 42.1815 176.5127 74 P 4.1230 0.0000 0.0000 65.9937 31.4562 177.2696 75 A 4.1485 7.9547 118.0070 52.1401 18.7951 176.2801 76 F 5.3345 8.0206 114.5459 55.8482 42.8304 173.7408 77 E 4.5871 9.1058 119.6599 54.9629 32.9019 174.3749 78 G 4.2971 8.9487 104.7876 44.4919 0.0000 174.5494 79 R 3.8689 8.6033 119.8145 58.8334 30.0916 177.1366 80 N 5.0141 8.6004 113.4083 52.6822 39.1016 173.9939 81 C 4.5793 8.1111 113.1682 57.9117 38.4289 174.6442 82 E 4.0282 8.3080 119.2785 58.9963 29.9275 177.0098 83 T 4.2464 8.1364 117.9249 63.1204 69.2060 173.2340 84 H 4.8266 8.8486 124.1498 54.4027 29.2741 176.5892 85 K 4.0394 8.6994 125.4058 59.2166 32.0784 178.9588 86 D 4.4651 7.8846 117.0271 56.1964 40.9815 176.4448 87 D 4.8532 7.7585 117.7187 54.1989 40.8493 176.7244 88 Q 4.5601 7.4807 114.9831 55.6576 29.4787 177.1808 89 L 4.3423 7.6770 121.9272 54.1749 40.1592 175.4428 90 I 4.7404 7.2287 115.1063 58.2201 41.0019 178.2178 91 C 4.4245 8.9031 118.7678 60.0146 40.0870 176.3176 92 V 3.5245 7.7101 110.6955 62.2722 31.6896 175.7173 93 N 4.5687 8.0705 119.9800 52.3761 38.3310 174.2607 94 E 3.9419 9.2931 129.3674 57.5667 27.5221 174.8412 95 N 4.3656 8.0437 108.5704 53.7259 37.7792 174.2382 96 G 3.8824 9.2036 101.1349 45.6776 0.0000 175.4628 97 G 3.9252 8.2875 106.0411 45.2743 0.0000 173.7867 98 C 4.5285 8.1239 117.4756 56.3854 41.0115 173.6726 99 E 4.0819 8.9231 124.7980 58.5535 31.1034 177.4099 100 Q 4.1226 8.2345 112.1184 56.2071 30.8538 177.8619 101 Y 4.9050 5.3700 122.3555 58.2445 40.4806 174.3348 102 C 5.4473 8.7783 121.1338 54.9921 46.7775 173.2161 103 S 4.7398 9.1550 121.2196 56.6227 65.9799 173.1619 104 D 4.6399 8.7230 125.1458 54.6788 41.6696 176.2055 105 H 4.8072 8.5883 119.0240 53.7822 31.5975 171.9830 106 T 3.9725 8.3769 117.9384 63.1272 67.8160 172.7587 107 G 4.1085 9.2641 116.5295 45.4226 0.0000 172.3418 108 T 4.6427 7.0278 112.0388 59.3587 70.1406 172.7853 109 K 4.4080 8.3031 123.0411 55.9936 32.8590 177.1160 110 R 4.4802 8.5584 122.2453 56.1916 30.7636 175.4687 111 S 4.9397 9.0049 114.4010 56.8504 66.3283 172.1446 112 C 5.4269 8.7523 118.0394 55.6110 36.9292 172.9651 113 R 4.8722 8.9089 119.9722 54.8278 34.5922 173.1837 114 C 5.2280 8.5473 115.7561 55.2730 38.6546 174.1166 115 H 4.5890 9.1983 120.6886 55.4974 30.1886 174.7343 116 E 4.1577 8.4112 123.0595 58.3788 29.7811 177.9552 117 G 3.9074 9.5510 110.0729 45.3860 0.0000 172.0262 118 Y 5.4239 7.6835 115.3068 56.2453 42.2492 174.7634 119 S 4.8037 9.3847 114.8781 56.2831 67.0938 173.0200 120 L 4.4620 8.5152 124.0674 55.1554 42.6744 176.5494 121 L 4.3103 9.2883 128.9291 54.3966 43.5319 177.2936 122 A 4.0070 8.8824 123.4728 55.3825 17.9132 178.9589 123 D 4.3298 8.1303 114.2587 54.6474 39.3513 178.1263 124 G 4.0497 8.2344 107.4899 45.8344 0.0000 174.3021 125 V 4.3608 7.6246 112.0112 61.4459 35.1392 176.0563 126 S 5.0206 8.5143 115.8111 57.5773 64.8509 172.8963 127 C 5.5658 8.5341 117.9578 55.5492 38.4437 173.5535 128 T 4.9834 8.9614 116.3309 59.3974 70.5505 171.3287 129 P 4.6184 0.0000 0.0000 63.3044 31.7377 176.0630 130 T 4.4872 8.6076 111.9888 61.6113 69.6793 174.1814 131 V 4.4728 7.2206 114.2533 59.1734 35.4488 175.2311 132 E 3.8312 8.7250 121.8372 58.8569 29.6475 176.6821 133 Y 4.6370 7.3121 115.9435 55.0580 37.9798 173.2276 134 P 4.3535 0.0000 0.0000 61.7680 32.4715 177.1988 135 C 4.2372 8.4496 114.5445 59.5258 30.1372 174.3458 136 G 4.1915 8.8699 108.2627 45.9081 0.0000 173.3481 137 K 4.5592 7.5464 117.8771 54.3509 34.7649 176.4430 138 I 4.2771 8.0344 124.0344 59.0024 36.4872 174.3530 139 P 4.5471 0.0000 0.0000 64.6854 31.3574 179.2790 140 I 3.8438 7.7502 109.2881 63.2954 37.7194 177.0901 141 L 4.1855 7.6206 121.5196 57.1448 42.2093 176.6168 142 E 4.1606 7.9451 120.4128 56.4759 29.7078 176.2878 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 A 8.26 4.36 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 2 N 8.56 4.76 0.00 2.83 2.78 0.00 0.00 6.88 6.46 0.00 0.00 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 A 8.56 4.60 1.24 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 4 F 8.09 3.58 0.00 2.97 2.79 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 5 L 7.42 3.89 0.00 1.25 1.44 0.54 0.49 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 *8 L 8.08 4.35 0.00 1.79 1.78 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.73 4.23 0.00 1.77 1.84 0.00 3.25 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 10 P 0.00 4.54 0.00 2.14 2.04 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 11 G 8.23 3.73 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 0.00 0.00 0.00 12 S 8.04 4.35 0.00 3.74 3.66 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 0.00 0.00 0.00 0.00 13 L 8.30 3.92 0.00 1.44 1.46 0.32 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.97 4.13 0.00 1.85 1.99 0.00 3.28 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 *17 C 8.06 4.96 0.00 3.12 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 18 K 7.79 4.36 0.00 1.83 1.89 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.61 7.81 *21 Q 8.05 4.31 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 22 C 8.82 4.99 0.00 3.17 3.21 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 0.00 0.00 0.00 0.00 23 S 8.38 4.80 0.00 4.06 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 24 F 7.91 2.81 0.00 2.11 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 *27 A 7.79 4.24 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.60 4.27 0.00 1.31 1.63 0.00 3.11 0.00 0.00 3.14 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.00 *30 I 7.94 3.81 1.58 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 1.16 0.46 -0.07 0.00 0.00 31 F 7.87 4.26 0.00 2.97 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 32 K 8.69 4.33 0.00 1.87 1.98 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.30 7.81 33 D 7.66 4.58 0.00 2.73 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 34 A 8.49 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 *36 R 8.14 4.19 0.00 2.10 1.90 0.00 3.23 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 37 T 7.76 3.77 4.38 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 0.94 0.00 0.00 38 K 8.50 4.11 0.00 2.10 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.56 7.81 39 L 7.77 4.11 0.00 1.86 1.82 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.81 4.31 0.00 2.60 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 41 W 9.03 4.01 0.00 3.88 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 42 I 7.90 3.65 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.91 0.00 0.00 43 S 7.80 4.31 0.00 3.82 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 44 Y 7.44 3.65 0.00 1.74 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 0.00 0.00 0.00 45 S 7.13 4.00 0.00 3.52 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 46 D 7.45 4.18 0.00 2.72 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 47 G 7.87 3.75 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 0.00 0.00 0.00 48 D 8.27 4.50 0.00 2.71 2.53 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 49 Q 9.26 4.22 0.00 2.46 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 50 C 8.22 4.33 0.00 3.15 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 51 A 7.63 3.68 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 52 S 7.93 4.33 0.00 3.91 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 53 S 7.97 3.58 0.00 3.94 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 54 P 0.00 4.02 0.00 2.05 1.87 0.00 3.45 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.00 55 C 7.20 4.59 0.00 3.10 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 56 Q 8.84 4.12 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.14 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 57 N 9.46 3.79 0.00 1.89 1.42 0.00 0.00 6.92 7.65 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 58 G 8.29 3.74 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 0.00 0.00 0.00 59 G 7.84 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 0.00 0.00 0.00 60 S 9.17 4.93 0.00 3.77 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 61 C 8.86 5.34 0.00 2.94 2.95 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 62 K 8.92 4.68 0.00 2.04 1.78 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.66 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.30 1.21 7.81 63 D 8.94 4.86 0.00 2.82 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 64 Q 8.49 4.53 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 65 L 8.46 4.39 0.00 1.69 1.58 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.88 3.62 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 67 S 7.38 4.56 0.00 3.94 3.87 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 68 Y 7.56 5.22 0.00 2.95 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 69 I 8.90 4.60 2.00 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 1.13 0.66 0.47 0.00 0.00 70 C 8.91 5.36 0.00 3.09 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 71 F 9.61 4.59 0.00 3.07 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 72 C 8.71 5.15 0.00 2.99 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 73 L 8.56 4.42 0.00 1.95 1.76 1.00 1.06 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 74 P 0.00 4.12 0.00 2.05 2.16 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 75 A 7.95 4.15 0.77 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 76 F 8.02 5.33 0.00 3.00 3.06 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 0.00 0.00 0.00 0.00 77 E 9.11 4.59 0.00 2.12 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 2.20 2.27 0.00 78 G 8.95 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 0.00 0.00 0.00 0.00 79 R 8.60 3.87 0.00 1.76 2.01 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 80 N 8.60 5.01 0.00 2.93 2.99 0.00 0.00 7.05 7.04 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 81 C 8.11 4.58 0.00 3.24 3.16 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 82 E 8.31 4.03 0.00 2.12 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 0.00 2.33 2.31 0.00 83 T 8.14 4.25 4.41 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 1.24 0.00 0.00 84 H 8.85 4.83 0.00 3.27 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.70 4.04 0.00 1.69 1.77 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.40 7.81 86 D 7.88 4.47 0.00 2.62 2.69 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 0.00 0.00 0.00 0.00 87 D 7.76 4.85 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 88 Q 7.48 4.56 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.41 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 89 L 7.68 4.34 0.00 1.57 1.59 0.98 0.97 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 90 I 7.23 4.74 1.86 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 1.62 0.70 0.90 0.00 0.00 91 C 8.90 4.42 0.00 3.12 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 92 V 7.71 3.52 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 0.66 0.00 0.00 0.92 0.00 0.00 93 N 8.07 4.57 0.00 2.79 2.95 0.00 0.00 7.25 7.16 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 94 E 9.29 3.94 0.00 2.12 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 2.31 2.21 0.00 95 N 8.04 4.37 0.00 2.94 2.81 0.00 0.00 7.62 7.93 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 96 G 9.20 3.88 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 0.00 0.00 0.00 97 G 8.29 3.93 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 98 C 8.12 4.53 0.00 3.01 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 99 E 8.92 4.08 0.00 1.95 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 2.20 2.21 0.00 100 Q 8.23 4.12 0.00 1.73 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.72 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 101 Y 5.37 4.91 0.00 2.96 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 0.00 102 C 8.78 5.45 0.00 3.06 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 S 9.16 4.74 0.00 3.69 3.59 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 0.00 0.00 0.00 0.00 104 D 8.72 4.64 0.00 2.52 2.57 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 0.00 105 H 8.59 4.81 0.00 3.23 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.38 3.97 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 1.22 0.00 0.00 107 G 9.26 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 0.00 0.00 0.00 108 T 7.03 4.64 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 1.26 0.00 0.00 109 K 8.30 4.41 0.00 1.82 1.70 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 110 R 8.56 4.48 0.00 1.96 1.90 0.00 3.08 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 111 S 9.00 4.94 0.00 3.91 4.06 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 0.00 0.00 0.00 0.00 112 C 8.75 5.43 0.00 3.05 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 0.00 113 R 8.91 4.87 0.00 1.88 1.93 0.00 3.12 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 1.59 1.64 0.00 114 C 8.55 5.23 0.00 2.83 3.01 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 0.00 115 H 9.20 4.59 0.00 2.80 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.41 4.16 0.00 2.00 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 2.35 2.29 0.00 117 G 9.55 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 0.00 118 Y 7.68 5.42 0.00 2.98 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 0.00 119 S 9.38 4.80 0.00 3.81 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 0.00 120 L 8.52 4.46 0.00 1.68 1.64 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.29 4.31 0.00 1.92 1.78 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.88 4.01 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 0.00 123 D 8.13 4.33 0.00 2.91 2.95 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 0.00 124 G 8.23 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 0.00 0.00 0.00 125 V 7.62 4.36 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 0.74 0.00 0.00 0.96 0.00 0.00 126 S 8.51 5.02 0.00 3.95 3.75 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 0.00 127 C 8.53 5.57 0.00 2.80 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 0.00 128 T 8.96 4.98 4.27 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 1.27 0.00 0.00 129 P 0.00 4.62 0.00 2.05 1.61 0.00 3.84 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 1.93 1.93 0.00 130 T 8.61 4.49 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 131 V 7.22 4.47 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 0.69 0.00 0.00 0.82 0.00 0.00 132 E 8.72 3.83 0.00 1.76 1.72 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 1.54 2.04 0.00 133 Y 7.31 4.64 0.00 2.97 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 0.00 134 P 0.00 4.35 0.00 1.48 1.50 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 135 C 8.45 4.24 0.00 3.16 3.16 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 0.00 136 G 8.87 4.19 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 0.00 137 K 7.55 4.56 0.00 1.62 1.74 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.62 7.81 138 I 8.03 4.28 1.89 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 0.80 0.93 0.00 0.00 139 P 0.00 4.55 0.00 2.30 2.30 0.00 3.93 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 140 I 7.75 3.84 1.89 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 0.54 0.93 0.00 0.00 141 L 7.62 4.19 0.00 1.80 1.77 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.95 4.16 0.00 2.18 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 0.00 2.44 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.