NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *22 H 4.6955 8.4444 117.3736 54.3156 29.6969 172.3141 23 M 4.3773 8.5736 125.1914 53.5551 32.9275 173.5251 24 K 4.7930 9.1049 127.0594 54.6318 36.4214 175.0485 25 T 4.5611 8.4139 116.1117 61.2145 70.2204 175.5726 26 V 3.5575 8.9474 122.9988 66.1009 31.5053 178.1759 27 K 3.8501 7.9540 118.9241 60.0255 31.9772 178.2023 28 H 4.1369 8.2338 118.1805 59.2317 29.8171 177.0917 29 L 3.9860 8.1975 120.9654 57.9419 41.4183 179.5941 30 L 3.9996 8.2562 119.0675 57.5758 41.2894 179.4928 31 Q 3.9800 7.6700 117.3636 58.8601 28.7005 178.2735 32 E 4.0304 7.9501 118.5465 59.2301 29.6254 178.7883 33 K 4.1856 7.6071 117.8095 56.8386 32.7509 176.3869 34 G 3.9822 7.3690 104.7370 45.0409 0.0000 172.9356 35 H 4.8480 8.3919 114.3019 55.4963 29.2377 175.2572 36 T 3.9310 7.7715 116.3439 63.6543 68.7215 174.2549 37 V 4.1551 8.0900 123.8400 61.1015 33.2885 174.6108 38 V 4.2341 8.2584 127.9906 61.6252 32.8212 174.5796 39 A 5.2638 8.4870 128.4425 50.3882 22.5313 174.1129 40 I 4.5139 8.5862 117.7145 59.8809 42.2388 174.0003 41 G 4.3846 8.5545 113.1509 44.2162 0.0000 173.2948 42 P 4.4392 0.0000 0.0000 65.1080 31.5897 177.5091 43 D 4.6390 7.9033 116.4408 54.4560 41.4239 175.8845 44 D 4.6232 7.8310 120.0378 53.4036 42.2009 175.3973 45 S 4.8403 8.3222 117.4098 58.0166 65.2382 175.3960 46 V 3.6572 9.0587 123.5411 65.9613 31.1827 178.1170 47 F 4.0668 8.2260 120.2362 61.7067 39.2215 176.8905 48 N 4.1864 8.7310 115.7791 56.1142 38.2510 177.3369 49 A 3.8845 7.8812 122.1069 55.6082 18.5917 179.7262 50 M 3.7763 8.1218 117.4893 58.3341 31.8197 179.0025 51 Q 3.7548 7.8298 118.5301 58.7272 28.7690 178.8725 52 K 3.8764 7.9335 120.6580 59.6271 32.1552 178.8222 53 M 3.9899 8.1425 118.9341 58.1922 31.9354 178.6608 54 A 3.8703 7.9906 120.6825 55.1245 18.3742 179.5543 55 A 3.9449 7.9679 118.2174 54.7588 18.5441 178.6210 56 D 4.5339 7.9155 114.3613 52.9758 42.6026 175.7552 57 N 4.0837 7.6880 117.4917 54.7098 37.5720 171.6233 58 I 4.7131 8.0583 110.5785 59.3813 41.5387 175.6421 59 G 4.2947 8.5134 103.2011 45.6571 0.0000 171.9520 60 A 5.2657 7.7432 119.8570 50.3037 22.5823 176.0866 61 L 4.8908 8.8584 119.0694 52.6945 46.0286 176.1905 62 L 4.2987 8.5918 124.0394 54.7034 43.0028 176.2517 63 V 4.5573 8.8052 124.9930 62.1373 32.1444 174.2898 64 M 5.2331 8.8720 128.3012 53.3714 35.2692 175.4558 65 K 4.5904 9.1056 126.1907 56.4404 35.3278 176.5698 66 D 4.3348 9.8179 128.8959 55.1501 36.9014 171.0151 67 E 3.8596 8.2289 112.0455 56.4541 28.1388 175.8183 68 K 4.4480 7.9300 120.8240 55.2909 33.8479 175.1598 69 L 4.6793 8.3268 127.9608 54.6785 41.6175 176.5168 70 V 4.0339 8.4993 120.3406 61.1134 32.4412 176.0074 71 G 4.0239 6.7974 105.5763 46.3436 0.0000 171.1554 72 I 5.0702 8.1512 119.2568 58.9980 41.6605 173.8802 73 L 5.2633 8.9284 131.3129 53.5747 44.2514 175.1953 74 T 5.1004 8.7622 115.5003 59.2695 72.2410 174.8636 75 E 4.0728 8.9241 121.6673 59.6704 29.2800 179.8994 76 R 4.2230 7.9198 119.6831 58.7826 30.2434 177.9542 77 D 4.3921 8.3595 118.9331 57.4509 40.9648 178.6285 78 F 4.1863 8.4093 121.1612 61.4265 39.2903 177.3485 79 S 4.2084 8.8216 114.3300 61.1922 62.6006 176.1660 80 R 4.3070 8.1522 120.2071 57.0760 30.6673 177.8322 81 K 4.2980 7.9103 117.4950 56.9894 33.7902 178.5848 82 S 4.0451 7.6424 114.5919 61.6482 62.6834 176.2832 83 Y 3.9394 7.6662 119.0851 58.8005 38.4374 176.7980 84 L 3.9022 6.2397 119.4810 57.5987 43.3958 178.8304 85 L 3.9943 7.3154 113.5131 56.0295 42.2257 179.9977 *87 K 4.1449 9.2322 127.3498 56.1275 33.4753 173.0312 88 P 4.6100 0.0000 0.0000 62.5274 32.7156 177.9612 89 V 3.8250 8.6042 113.3842 64.2946 31.7667 179.0394 90 K 4.1162 8.1405 118.2284 58.7877 32.0282 177.2669 91 D 4.8453 8.0596 116.9052 53.9637 41.1176 175.8623 92 T 4.7758 7.6562 116.6939 61.8138 71.2276 173.4291 93 Q 4.8640 9.3732 125.4300 54.5665 30.4640 176.9366 94 V 3.6265 8.7604 122.0467 66.0531 31.5922 178.6762 95 K 4.0550 8.0019 117.4473 59.6807 32.3968 178.0287 96 E 4.1312 8.2674 119.1463 58.3031 29.3903 177.3944 97 I 4.5109 7.5954 109.0149 60.0359 38.8192 175.6704 98 M 4.2755 7.8636 118.4179 55.5296 31.9019 175.6742 99 T 4.3086 8.9509 117.8255 63.2377 69.3791 176.0588 100 R 4.1742 8.5210 124.2050 56.6944 31.5410 176.3192 101 Q 4.1885 7.9049 118.5516 54.6105 27.7344 173.6475 102 V 4.2334 8.0031 123.4101 60.4399 32.6601 175.1231 103 A 4.4482 8.5163 129.9877 52.1635 19.0084 175.6763 104 Y 5.0540 7.9753 118.2422 55.9841 41.6212 173.7357 105 V 4.7681 9.0146 112.9166 59.7504 36.4871 173.6684 106 D 5.5175 9.2487 120.3328 50.6566 42.7627 176.5298 107 L 4.0521 8.6800 117.0373 57.8677 41.6696 178.7831 108 N 4.6252 7.6872 113.7222 53.6479 38.1023 175.1473 109 N 4.5755 7.8725 117.6240 53.9320 39.4255 173.6530 110 T 5.0450 8.5871 110.3384 59.5525 72.7639 174.9178 111 N 4.3255 8.8332 119.7985 56.1774 37.0503 176.9912 112 E 3.8848 8.1038 120.9605 59.1261 29.7900 178.1953 113 D 4.3773 8.1032 118.8891 57.6715 40.8287 178.7621 114 C 4.1311 8.0975 116.9077 63.2209 28.1871 176.1440 115 M 4.0448 8.3071 120.2046 58.2056 31.3969 178.7724 116 A 3.9638 8.1114 120.9766 54.9792 18.5019 179.5174 117 L 3.8513 8.0839 118.9162 58.3619 42.1282 178.9411 118 I 3.9519 7.8964 121.4563 64.1117 36.8307 178.5795 119 T 3.8391 7.6461 114.9728 66.6983 68.4255 175.7148 120 E 4.0667 8.2126 120.4689 59.2360 29.7557 177.4011 121 M 4.2180 8.2444 115.8176 55.0481 32.6722 175.9790 122 R 3.9120 7.5700 116.8330 57.6871 28.2571 176.6234 123 V 4.4925 7.4166 109.3284 59.7953 34.8288 177.0837 124 R 4.3092 8.5092 121.6899 57.4222 31.3398 175.6588 125 H 5.3427 8.0996 115.0566 53.8114 32.8489 173.1347 126 L 4.7505 9.2240 121.5593 52.1944 44.9149 174.4196 127 P 4.6337 0.0000 0.0000 62.8803 32.9282 175.5449 128 V 4.8509 8.8229 123.2353 61.3422 33.2835 174.3366 129 L 5.2445 8.9941 128.0653 53.0198 44.8158 175.3340 130 D 4.7476 9.0540 124.0848 54.3705 43.8327 175.7967 131 D 4.4760 9.9080 125.3412 54.2837 37.2293 170.9548 132 G 3.9122 8.4216 104.8063 46.4192 0.0000 173.7586 133 K 4.4099 7.8125 121.1346 53.8516 33.9865 175.5534 134 V 4.1681 8.2997 126.1273 62.9492 31.4753 175.2697 135 I 4.3981 8.4155 120.5746 60.0854 38.7509 175.0632 136 G 4.0385 7.4337 109.3979 46.6943 0.0000 171.5547 137 L 5.1960 8.4064 120.6622 53.5584 45.2262 174.9369 138 L 5.1842 8.9914 125.7001 52.9862 45.2898 175.5364 139 S 5.0709 9.0781 116.2587 55.8424 66.6168 174.7342 140 I 3.7375 8.6289 120.0392 64.4561 37.4585 178.0936 141 G 3.6298 7.6622 106.0470 47.7556 0.0000 175.4229 142 D 4.3698 7.9186 120.7075 57.2752 40.8457 178.8958 143 L 4.0079 7.8142 119.0227 57.7050 41.7852 179.5481 144 V 3.5910 7.9099 118.2847 65.8360 31.2459 178.0507 145 K 3.9657 8.0286 118.5503 59.4631 32.1732 177.9865 146 D 4.4358 8.3251 118.2338 57.2579 40.9110 178.0703 147 A 4.0173 7.9125 120.7327 54.6722 18.5038 178.8035 148 I 4.0911 7.3995 108.6675 61.7601 38.2755 176.6865 149 S 4.4205 7.6388 121.4112 58.9339 63.2125 173.5978 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 *22 H 8.44 4.70 0.00 2.95 2.94 0.00 7.17 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 23 M 8.57 4.38 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 24 K 9.10 4.79 0.00 1.88 1.60 0.00 1.57 0.00 0.00 1.99 0.00 0.00 3.24 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.37 7.81 25 T 8.41 4.56 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 1.22 0.00 0.00 26 V 8.95 3.56 2.38 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 1.12 0.00 0.00 0.95 0.00 0.00 27 K 7.95 3.85 0.00 1.93 1.84 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 28 H 8.23 4.14 0.00 3.33 3.43 0.00 5.85 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 29 L 8.20 3.99 0.00 1.89 1.71 0.93 0.59 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 30 L 8.26 4.00 0.00 1.85 1.60 0.96 1.18 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 31 Q 7.67 3.98 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 32 E 7.95 4.03 0.00 2.07 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 2.28 2.36 0.00 33 K 7.61 4.19 0.00 1.74 1.89 0.00 2.02 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.67 7.81 34 G 7.37 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.39 4.85 0.00 3.10 3.30 0.00 5.91 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.77 3.93 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 1.21 0.00 0.00 37 V 8.09 4.16 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 0.79 0.00 0.00 0.93 0.00 0.00 38 V 8.26 4.23 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 0.95 0.00 0.00 0.91 0.00 0.00 39 A 8.49 5.26 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 40 I 8.59 4.51 1.85 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 1.15 1.12 0.90 0.00 0.00 41 G 8.55 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 0.00 0.00 0.00 0.00 42 P 0.00 4.44 0.00 2.23 2.33 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 43 D 7.90 4.64 0.00 2.69 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 44 D 7.83 4.62 0.00 2.79 2.55 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 45 S 8.32 4.84 0.00 4.20 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 46 V 9.06 3.66 2.36 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 1.34 0.00 0.00 1.07 0.00 0.00 47 F 8.23 4.07 0.00 3.25 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 48 N 8.73 4.19 0.00 3.04 2.87 0.00 0.00 7.01 8.51 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 49 A 7.88 3.88 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 50 M 8.12 3.78 0.00 1.53 1.75 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.59 0.00 51 Q 7.83 3.75 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 52 K 7.93 3.88 0.00 1.85 1.87 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 53 M 8.14 3.99 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 54 A 7.99 3.87 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 55 A 7.97 3.94 1.32 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 0.00 0.00 0.00 56 D 7.92 4.53 0.00 2.73 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 57 N 7.69 4.08 0.00 2.79 2.78 0.00 0.00 6.89 7.29 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 58 I 8.06 4.71 1.86 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 1.19 0.80 0.90 0.00 0.00 59 G 8.51 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 0.00 0.00 0.00 0.00 60 A 7.74 5.27 0.79 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 61 L 8.86 4.89 0.00 1.50 1.49 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.59 4.30 0.00 1.57 1.57 0.91 0.77 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 63 V 8.81 4.56 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 1.04 0.00 0.00 0.98 0.00 0.00 64 M 8.87 5.23 0.00 1.93 1.90 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 2.48 2.73 0.00 65 K 9.11 4.59 0.00 1.67 1.58 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 66 D 9.82 4.33 0.00 2.85 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.23 3.86 0.00 2.15 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 2.12 1.85 0.00 68 K 7.93 4.45 0.00 1.72 1.88 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.32 7.81 69 L 8.33 4.68 0.00 1.55 1.50 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.50 4.03 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 0.71 0.00 0.00 1.01 0.00 0.00 71 G 6.80 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 72 I 8.15 5.07 1.88 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 1.09 1.61 0.94 0.00 0.00 73 L 8.93 5.26 0.00 1.79 1.48 0.98 0.89 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 74 T 8.76 5.10 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 1.23 0.00 0.00 75 E 8.92 4.07 0.00 2.11 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 2.33 2.49 0.00 76 R 7.92 4.22 0.00 1.93 1.97 0.00 3.26 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 77 D 8.36 4.39 0.00 3.00 2.90 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 F 8.41 4.19 0.00 3.15 3.27 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 79 S 8.82 4.21 0.00 4.11 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 0.00 80 R 8.15 4.31 0.00 1.86 2.03 0.00 3.30 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 81 K 7.91 4.30 0.00 1.84 1.71 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.37 7.81 82 S 7.64 4.05 0.00 3.79 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 83 Y 7.67 3.94 0.00 3.08 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 84 L 6.24 3.90 0.00 1.54 1.53 0.69 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.32 3.99 0.00 1.63 1.19 0.89 0.82 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 *87 K 9.23 4.14 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 88 P 0.00 4.61 0.00 2.18 2.19 0.00 3.76 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 2.22 2.00 0.00 89 V 8.60 3.82 2.34 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 1.23 0.00 0.00 1.21 0.00 0.00 90 K 8.14 4.12 0.00 1.65 1.78 0.00 1.37 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.98 7.81 91 D 8.06 4.85 0.00 2.79 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 92 T 7.66 4.78 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 1.24 0.00 0.00 93 Q 9.37 4.86 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 94 V 8.76 3.63 2.37 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 0.99 0.00 0.00 1.01 0.00 0.00 95 K 8.00 4.06 0.00 1.92 2.02 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.43 7.81 96 E 8.27 4.13 0.00 2.08 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 2.35 2.36 0.00 97 I 7.60 4.51 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.91 0.00 0.00 98 M 7.86 4.28 0.00 2.27 2.24 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 2.58 2.74 0.00 99 T 8.95 4.31 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 1.26 0.00 0.00 100 R 8.52 4.17 0.00 1.80 1.98 0.00 3.20 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 101 Q 7.90 4.19 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 102 V 8.00 4.23 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 0.96 0.00 0.00 1.00 0.00 0.00 103 A 8.52 4.45 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 0.00 104 Y 7.98 5.05 0.00 3.11 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 0.00 105 V 9.01 4.77 2.22 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 0.77 0.00 0.00 0.98 0.00 0.00 106 D 9.25 5.52 0.00 2.77 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 0.00 107 L 8.68 4.05 0.00 1.75 1.78 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 N 7.69 4.63 0.00 2.79 2.95 0.00 0.00 7.02 7.92 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 0.00 109 N 7.87 4.58 0.00 3.03 2.80 0.00 0.00 6.41 8.36 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 0.00 110 T 8.59 5.05 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 1.21 0.00 0.00 111 N 8.83 4.33 0.00 2.93 3.14 0.00 0.00 7.03 8.44 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 0.00 112 E 8.10 3.88 0.00 2.05 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 2.37 2.40 0.00 113 D 8.10 4.38 0.00 2.93 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 0.00 114 C 8.10 4.13 0.00 3.15 2.98 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 0.00 0.00 0.00 115 M 8.31 4.04 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 116 A 8.11 3.96 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 0.00 117 L 8.08 3.85 0.00 1.87 1.85 0.90 0.86 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 0.00 118 I 7.90 3.95 1.94 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 1.71 2.13 0.95 0.00 0.00 119 T 7.65 3.84 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 1.21 0.00 0.00 120 E 8.21 4.07 0.00 2.00 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 2.32 2.42 0.00 121 M 8.24 4.22 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 122 R 7.57 3.91 0.00 1.92 2.00 0.00 3.11 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 123 V 7.42 4.49 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 0.84 0.00 0.00 0.95 0.00 0.00 124 R 8.51 4.31 0.00 1.65 1.78 0.00 3.08 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 125 H 8.10 5.34 0.00 2.97 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 9.22 4.75 0.00 1.53 1.60 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.63 0.00 2.10 1.97 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 128 V 8.82 4.85 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 1.14 0.00 0.00 0.97 0.00 0.00 129 L 8.99 5.24 0.00 1.56 1.43 0.59 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 D 9.05 4.75 0.00 2.66 2.45 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 0.00 131 D 9.91 4.48 0.00 2.85 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 0.00 132 G 8.42 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 0.00 133 K 7.81 4.41 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.21 7.81 134 V 8.30 4.17 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 0.85 0.00 0.00 0.84 0.00 0.00 135 I 8.42 4.40 1.88 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 1.23 0.92 0.94 0.00 0.00 136 G 7.43 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 0.00 137 L 8.41 5.20 0.00 1.62 1.50 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.99 5.18 0.00 1.63 1.52 0.93 0.56 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 0.00 139 S 9.08 5.07 0.00 3.81 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 0.00 140 I 8.63 3.74 1.83 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 1.44 1.30 0.87 0.00 0.00 141 G 7.66 3.63 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 0.00 0.00 0.00 142 D 7.92 4.37 0.00 2.90 2.72 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 0.00 143 L 7.81 4.01 0.00 1.84 1.71 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.91 3.59 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 0.99 0.00 0.00 0.96 0.00 0.00 145 K 8.03 3.97 0.00 1.86 1.95 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 146 D 8.33 4.44 0.00 2.84 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 0.00 147 A 7.91 4.02 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 0.00 148 I 7.40 4.09 1.87 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 1.85 0.67 0.91 0.00 0.00 149 S 7.64 4.42 0.00 4.02 3.89 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 * Residues marked with a * may have inaccurate shift predictions.