NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.8300 8.2785 118.0777 52.5988 41.7482 173.0201 0 A 5.0991 7.8413 118.1115 48.5307 22.7685 173.5006 2 N 5.2529 9.0734 114.4421 52.2159 43.3553 172.7410 3 T 5.1622 9.0030 117.0792 60.3330 71.5983 172.2235 4 V 4.7404 8.2322 124.8942 61.0665 33.5771 174.8293 5 C 4.3010 9.0127 128.8759 59.3585 32.0059 173.9125 6 T 4.1537 8.8228 120.0858 63.1777 67.4766 174.1667 7 A 4.3542 7.4817 121.5222 54.0599 19.5590 176.4494 8 C 4.3484 7.1411 106.2314 59.0920 32.7083 173.0003 *10 A 4.1384 7.4428 119.6559 50.9768 20.3323 175.1152 11 T 4.6224 8.4482 115.8206 61.7170 68.8168 173.5591 12 N 4.9903 9.2652 125.2734 51.3949 42.1173 173.3438 13 R 4.5792 8.7090 124.8027 55.5885 30.6154 175.2437 14 L 5.1146 8.3574 125.6029 51.7666 46.1703 174.4352 15 P 4.5899 0.0000 0.0000 62.5808 32.0664 176.0862 16 E 3.9529 8.9438 123.1763 58.9168 29.6162 176.8789 17 E 4.4416 7.9762 118.6538 54.7909 30.1094 175.8695 18 R 4.4912 8.1934 122.9639 55.0716 31.7614 176.7827 19 I 4.0244 8.1635 120.0497 63.5201 37.6252 175.3304 20 D 4.6231 7.5884 116.9030 52.9980 41.8087 174.3293 21 D 4.8259 8.4876 116.7112 54.3381 40.9340 178.2018 22 G 3.7171 8.5379 110.1483 47.2296 0.0000 174.7919 23 A 4.0667 8.1003 121.6564 52.7572 19.1855 176.6000 24 K 4.9659 8.3655 119.7721 54.1698 35.4351 175.7735 25 C 4.2931 9.1162 124.5789 59.6851 32.0971 174.7786 26 G 3.7547 9.3281 114.8838 47.0281 0.0000 173.9926 27 R 4.3623 7.9165 119.1929 57.1340 31.2534 176.0623 28 C 4.6716 7.6118 107.8542 56.7243 30.7415 174.5654 29 G 3.8749 8.5373 108.0521 46.1501 0.0000 173.6465 30 H 4.3322 7.7822 119.9126 55.8406 31.2229 174.5816 31 S 4.4458 8.3989 120.5651 59.0629 63.1091 175.0614 32 L 3.7118 8.8094 125.5166 55.5502 41.6780 177.4449 33 F 5.0780 6.9336 116.7709 56.0352 39.1293 174.5742 34 D 4.4768 8.0397 118.1152 53.1732 40.7935 178.4080 35 G 3.8642 8.2547 108.2534 45.8797 0.0000 173.0948 36 E 4.3326 7.9530 118.5245 55.2917 30.3581 176.4845 37 V 4.0536 8.1548 122.5117 63.0771 32.5780 175.1309 38 I 4.3267 9.1006 129.7108 59.7535 38.6829 174.5779 39 N 5.0033 8.9804 126.7284 53.8358 39.1652 173.7600 40 A 4.9153 8.8344 129.1204 50.5814 21.5197 175.6109 41 T 4.7188 8.3986 109.5112 58.7941 72.0650 174.6345 42 A 4.0638 8.9013 122.2765 55.6756 18.0996 179.2281 43 E 4.1266 8.1589 116.2003 58.5968 29.8394 178.3990 44 T 4.4451 7.7551 108.6479 62.1362 70.2367 176.3783 45 L 3.8869 7.8440 123.1300 58.3877 41.9332 178.4921 46 D 4.4140 8.0563 116.9122 57.2214 41.1297 178.5156 47 K 4.1408 7.9622 118.5943 59.4631 32.1900 179.1748 48 L 4.0227 8.3393 119.6819 57.7633 41.3584 179.2878 49 L 4.1460 7.7330 116.9844 56.7426 41.5743 178.8622 50 Q 4.1558 7.8581 117.5213 56.7875 28.9674 176.0013 51 D 4.3886 7.5621 119.6982 54.9146 41.4659 176.3394 52 D 4.5760 8.8152 125.9599 56.0549 41.2483 177.0219 53 L 4.1866 8.5008 120.1778 53.5868 42.3040 175.5677 54 P 4.7430 0.0000 0.0000 61.8618 31.7771 174.8645 *56 V 4.3136 8.0242 116.5486 62.2050 33.2005 174.4307 57 I 4.9979 8.5394 124.1203 59.6336 40.2291 173.9209 58 D 4.6317 9.2693 128.0446 52.8021 41.9954 174.9802 59 F 5.2036 9.3070 126.9816 56.6682 40.1949 175.2738 60 W 5.7253 9.0051 119.9702 55.4325 32.3725 173.3009 61 A 4.3170 8.5193 120.2026 49.4914 21.7423 175.6553 62 P 4.6867 0.0000 0.0000 65.0365 31.7869 177.2713 63 W 4.3167 8.3553 117.5789 56.7409 29.3182 176.5045 64 C 4.8870 8.1720 120.1327 54.8178 39.5566 174.1041 65 G 3.6538 8.6929 115.4434 47.7811 0.0000 173.2422 66 P 4.3531 0.0000 0.0000 64.9014 31.3066 179.4075 67 C 4.3685 8.2608 115.1873 60.2336 40.0280 176.0553 68 R 3.8667 7.9437 118.2706 59.4256 29.7709 179.0637 69 S 4.2768 7.8592 112.4375 60.9642 63.4249 175.8087 70 F 4.2920 8.3641 124.0278 60.2886 39.0940 176.7001 71 A 3.7321 7.8578 121.1319 55.0221 17.9689 177.8668 72 P 4.1308 0.0000 0.0000 65.7647 31.3889 178.5141 73 I 3.5412 7.4391 119.0976 64.1232 37.0132 177.6677 74 F 4.2262 7.5675 121.1416 61.4201 39.2315 177.0688 75 A 3.7926 7.9413 120.1311 55.0239 18.0532 179.2313 76 E 3.7660 8.2969 118.1384 59.7731 29.5050 179.2180 77 T 3.7482 7.7029 114.3836 66.3081 68.8742 176.1251 78 A 2.5800 7.1313 122.4943 54.4474 17.9903 179.5666 79 A 4.0140 7.1349 118.9770 54.7925 18.5537 179.5383 80 E 4.0736 7.7189 115.4671 58.2723 29.6159 178.1339 81 R 4.5389 7.2597 116.7444 55.6934 31.0025 177.3704 82 A 3.9623 8.0849 123.8006 55.1138 18.2172 179.5629 83 G 3.6064 7.8801 100.6386 45.1105 0.0000 173.8848 84 K 4.4022 8.3577 119.2720 56.7662 34.5621 177.0823 85 V 4.6067 7.5211 116.5518 61.1898 34.4337 174.0319 86 R 4.5748 8.8518 126.8936 55.7159 31.3806 175.8152 87 F 4.7779 8.9858 121.5867 55.7404 41.5249 174.6322 88 V 5.1667 9.4044 124.2050 60.8292 34.9368 174.2358 89 K 5.1414 9.4349 125.3819 55.0948 36.0771 175.0331 90 V 4.5250 8.8969 122.5188 61.1076 34.7743 173.6737 91 N 4.1183 8.7206 127.3672 52.6647 39.3079 175.4801 92 T 4.0156 8.5518 118.4475 64.4070 69.5491 176.9003 93 E 4.0293 8.1990 120.8874 58.6451 29.9124 177.6335 94 A 4.1222 8.4666 121.1958 53.6964 19.5764 176.9732 95 E 4.7807 7.9142 116.3650 54.3372 29.7277 175.1929 96 P 4.5366 0.0000 0.0000 65.1737 31.9154 178.1480 97 A 4.0071 7.9732 120.6587 55.0615 18.3845 179.3580 98 L 4.1992 7.9560 117.0996 58.0823 41.8970 179.4133 99 S 4.2105 8.2596 113.0961 61.6960 62.2467 176.5359 100 T 3.8690 8.1011 118.4452 66.6355 68.0818 176.6812 101 R 3.8508 8.2687 119.6136 59.3599 30.1784 177.6546 102 F 4.1547 8.3336 113.9680 56.3830 39.8038 175.5286 103 R 3.8397 7.9628 116.7791 57.1439 27.8184 176.9862 104 I 3.7697 7.5917 118.0808 61.3384 37.7104 176.9137 105 R 4.5367 8.0625 119.8428 55.6345 30.6827 175.4545 106 S 4.5838 7.2935 110.6397 57.5275 65.0673 174.4423 107 I 4.8744 8.1039 115.0649 58.4531 40.2534 173.1147 108 P 4.8471 0.0000 0.0000 62.9519 33.1926 174.6525 109 T 4.8665 8.8278 118.9083 62.1169 70.7238 173.7293 110 I 5.6264 8.2312 125.8279 58.3403 40.9904 174.8209 *112 L 4.2143 8.2066 124.5137 55.5055 42.8729 175.0565 113 Y 4.8695 8.6868 123.4769 56.3540 40.3038 175.1674 114 R 4.7444 8.6364 121.9758 55.5644 33.4203 175.3226 115 N 4.3381 9.9830 122.4021 54.4236 36.1238 175.4868 116 G 4.1811 8.4864 102.7881 45.9925 0.0000 174.9708 117 K 4.5406 7.7146 121.3660 56.3097 31.1468 179.0757 *119 I 3.9612 8.3533 124.1311 62.0948 38.9483 174.4960 120 D 4.3141 7.1108 115.2859 54.2611 46.0040 174.2979 *122 L 3.7301 7.8101 116.8005 54.9326 42.4715 175.9626 123 N 4.7714 8.8518 121.2725 52.2412 37.7394 172.8114 124 G 3.8028 7.9418 107.9885 42.7044 0.0000 171.8873 125 A 3.4166 7.9872 125.8753 52.4052 18.9434 177.1636 126 V 4.4920 7.4968 111.8682 58.3440 35.9879 173.3637 127 P 4.6333 0.0000 0.0000 61.7659 33.2825 177.6646 128 K 4.0715 8.7094 119.4855 59.9189 32.0536 178.3463 129 A 4.0324 8.1375 120.2503 55.1014 18.3280 177.6266 130 P 4.4432 0.0000 0.0000 65.5726 31.2838 178.5753 131 F 4.7215 8.4845 119.5029 61.8461 39.3795 176.9250 132 D 4.2363 8.8598 118.7333 57.4900 40.5741 178.7211 133 N 4.3887 8.7852 117.4818 55.8096 38.4560 177.3848 134 W 4.1688 8.6324 129.9005 60.4984 30.8738 177.6389 135 L 3.4400 8.2105 119.2026 58.1916 41.1463 179.3766 136 D 4.2785 8.1678 118.2973 57.4155 40.2500 178.6861 137 E 3.8729 8.1923 119.6876 59.3995 29.4322 178.8896 138 Q 3.8938 7.6671 117.1205 58.5270 28.7868 178.1669 139 L 4.0404 7.8659 120.2089 57.5128 41.7529 179.1884 140 S 4.2387 7.7996 112.6333 59.4001 63.4651 174.8462 141 R 3.9239 6.5233 120.4286 56.0950 30.6298 175.8958 142 D 4.4849 8.6253 117.9076 54.8828 41.0956 176.2622 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 N 8.28 4.83 0.00 2.75 2.94 0.00 0.00 6.65 6.96 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 A 7.84 5.10 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 2 N 9.07 5.25 0.00 2.68 2.67 0.00 0.00 6.84 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 3 T 9.00 5.16 4.31 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 1.13 0.00 0.00 4 V 8.23 4.74 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 0.78 0.00 0.00 1.01 0.00 0.00 5 C 9.01 4.30 0.00 2.98 2.77 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 6 T 8.82 4.15 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 1.24 0.00 0.00 7 A 7.48 4.35 1.03 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 0.00 0.00 8 C 7.14 4.35 0.00 3.04 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 A 7.44 4.14 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 11 T 8.45 4.62 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 12 N 9.27 4.99 0.00 2.66 2.63 0.00 0.00 6.50 7.66 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 13 R 8.71 4.58 0.00 1.83 1.85 0.00 3.18 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 14 L 8.36 5.11 0.00 1.67 1.58 1.07 1.04 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 15 P 0.00 4.59 0.00 2.37 2.07 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 16 E 8.94 3.95 0.00 1.94 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 2.33 2.30 0.00 17 E 7.98 4.44 0.00 1.96 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 2.22 2.34 0.00 18 R 8.19 4.49 0.00 1.73 1.99 0.00 3.40 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 1.65 1.68 0.00 19 I 8.16 4.02 1.87 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 1.47 0.49 0.91 0.00 0.00 20 D 7.59 4.62 0.00 2.73 2.62 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 21 D 8.49 4.83 0.00 2.65 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 22 G 8.54 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 23 A 8.10 4.07 1.34 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 0.00 0.00 24 K 8.37 4.97 0.00 1.58 1.68 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.64 7.81 25 C 9.12 4.29 0.00 2.94 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 26 G 9.33 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 27 R 7.92 4.36 0.00 1.76 1.93 0.00 3.18 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 28 C 7.61 4.67 0.00 3.05 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 29 G 8.54 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 0.00 0.00 0.00 30 H 7.78 4.33 0.00 3.23 3.15 0.00 5.88 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 31 S 8.40 4.45 0.00 3.65 3.71 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 32 L 8.81 3.71 0.00 0.81 0.82 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 F 6.93 5.08 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 34 D 8.04 4.48 0.00 2.77 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 35 G 8.25 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.95 4.33 0.00 2.13 1.89 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 2.33 2.39 0.00 37 V 8.15 4.05 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 1.06 0.00 0.00 0.89 0.00 0.00 38 I 9.10 4.33 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.93 0.00 0.00 39 N 8.98 5.00 0.00 2.81 2.80 0.00 0.00 7.09 7.96 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 40 A 8.83 4.92 1.16 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 0.00 0.00 41 T 8.40 4.72 4.25 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 1.23 0.00 0.00 42 A 8.90 4.06 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 43 E 8.16 4.13 0.00 1.97 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 2.35 2.36 0.00 44 T 7.76 4.45 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 45 L 7.84 3.89 0.00 1.73 1.73 0.78 0.89 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 46 D 8.06 4.41 0.00 2.71 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 47 K 7.96 4.14 0.00 1.98 1.85 0.00 1.68 0.00 0.00 2.03 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 48 L 8.34 4.02 0.00 1.79 1.71 0.91 0.53 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 49 L 7.73 4.15 0.00 1.71 1.63 0.75 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.86 4.16 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 51 D 7.56 4.39 0.00 2.85 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 D 8.82 4.58 0.00 2.87 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 53 L 8.50 4.19 0.00 1.78 1.66 1.17 1.13 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 54 P 0.00 4.74 0.00 2.14 2.00 0.00 4.08 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 *56 V 8.02 4.31 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 0.10 0.00 0.00 1.45 0.00 0.00 57 I 8.54 5.00 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.39 0.15 0.00 0.00 58 D 9.27 4.63 0.00 1.58 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 0.00 0.00 0.00 59 F 9.31 5.20 0.00 2.95 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 60 W 9.01 5.73 0.00 3.49 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 61 A 8.52 4.32 1.12 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 0.00 0.00 62 P 0.00 4.69 0.00 2.33 2.47 0.00 3.56 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 63 W 8.36 4.32 0.00 3.31 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 64 C 8.17 4.89 0.00 3.10 3.35 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 65 G 8.69 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 0.00 0.00 0.00 66 P 0.00 4.35 0.00 2.16 2.09 0.00 3.64 0.00 0.00 3.79 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 67 C 8.26 4.37 0.00 3.43 3.47 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 0.00 68 R 7.94 3.87 0.00 1.95 1.98 0.00 3.10 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 69 S 7.86 4.28 0.00 4.07 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 70 F 8.36 4.29 0.00 3.14 3.11 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 71 A 7.86 3.73 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 72 P 0.00 4.13 0.00 2.19 2.24 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 73 I 7.44 3.54 1.53 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 0.63 0.81 0.00 0.00 74 F 7.57 4.23 0.00 2.60 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 75 A 7.94 3.79 1.28 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 0.00 0.00 76 E 8.30 3.77 0.00 1.95 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 0.00 2.25 2.28 0.00 77 T 7.70 3.75 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 1.27 0.00 0.00 78 A 7.13 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.13 4.01 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 80 E 7.72 4.07 0.00 1.93 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 2.28 2.43 0.00 81 R 7.26 4.54 0.00 1.97 1.95 0.00 3.38 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 82 A 8.08 3.96 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 83 G 7.88 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.40 0.00 1.65 1.79 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.28 7.81 85 V 7.52 4.61 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 0.60 0.00 0.00 0.92 0.00 0.00 86 R 8.85 4.57 0.00 1.76 1.91 0.00 3.25 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 87 F 8.99 4.78 0.00 2.69 2.47 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 0.00 88 V 9.40 5.17 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 0.98 0.00 0.00 0.97 0.00 0.00 89 K 9.43 5.14 0.00 1.87 1.93 0.00 1.18 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.57 7.81 90 V 8.90 4.53 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 0.94 0.00 0.00 0.57 0.00 0.00 91 N 8.72 4.12 0.00 2.47 2.52 0.00 0.00 6.95 7.22 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 92 T 8.55 4.02 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 1.37 0.00 0.00 93 E 8.20 4.03 0.00 1.98 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 2.20 2.17 0.00 94 A 8.47 4.12 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 95 E 7.91 4.78 0.00 2.19 1.83 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 2.19 2.27 0.00 96 P 0.00 4.54 0.00 2.30 2.28 0.00 3.92 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 2.07 1.87 0.00 97 A 7.97 4.01 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 98 L 7.96 4.20 0.00 2.00 1.94 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.26 4.21 0.00 3.95 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 0.00 100 T 8.10 3.87 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 1.21 0.00 0.00 101 R 8.27 3.85 0.00 1.82 2.28 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.46 0.00 102 F 8.33 4.15 0.00 3.02 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 0.00 103 R 7.96 3.84 0.00 1.92 1.96 0.00 3.12 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 104 I 7.59 3.77 1.78 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.38 0.85 0.00 0.00 105 R 8.06 4.54 0.00 1.85 1.96 0.00 3.04 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 106 S 7.29 4.58 0.00 3.91 3.79 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 0.00 107 I 8.10 4.87 1.94 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 1.41 0.77 1.01 0.00 0.00 108 P 0.00 4.85 0.00 1.98 2.24 0.00 3.57 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 1.83 1.84 0.00 109 T 8.83 4.87 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 0.00 110 I 8.23 5.63 1.62 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.38 1.19 0.00 0.00 *112 L 8.21 4.21 0.00 1.84 1.71 0.85 0.46 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 0.00 113 Y 8.69 4.87 0.00 3.14 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 0.00 114 R 8.64 4.74 0.00 1.81 1.80 0.00 3.25 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 115 N 9.98 4.34 0.00 2.85 2.90 0.00 0.00 7.19 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 0.00 116 G 8.49 4.18 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 0.00 0.00 0.00 117 K 7.71 4.54 0.00 2.02 1.43 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 *119 I 8.35 3.96 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.86 0.00 0.00 120 D 7.11 4.31 0.00 2.67 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 *122 L 7.81 3.73 0.00 1.22 1.14 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.85 4.77 0.00 2.60 2.70 0.00 0.00 7.15 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 0.00 124 G 7.94 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 0.00 125 A 7.99 3.42 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.50 4.49 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 0.60 0.00 0.00 1.02 0.00 0.00 127 P 0.00 4.63 0.00 2.23 2.03 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 128 K 8.71 4.07 0.00 1.89 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.76 1.68 7.81 129 A 8.14 4.03 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 0.00 130 P 0.00 4.44 0.00 2.29 2.21 0.00 3.80 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 2.19 2.22 0.00 131 F 8.48 4.72 0.00 3.45 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.24 0.00 2.88 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 0.00 133 N 8.79 4.39 0.00 3.03 2.95 0.00 0.00 6.61 7.71 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 0.00 134 W 8.63 4.17 0.00 3.51 3.53 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 0.00 135 L 8.21 3.44 0.00 1.73 1.55 0.68 1.17 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 0.00 136 D 8.17 4.28 0.00 2.78 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 0.00 137 E 8.19 3.87 0.00 2.10 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 2.25 2.33 0.00 138 Q 7.67 3.89 0.00 1.41 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 1.67 1.25 0.00 139 L 7.87 4.04 0.00 1.52 1.64 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.80 4.24 0.00 4.01 3.94 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 0.00 141 R 6.52 3.92 0.00 2.03 1.89 0.00 3.31 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 142 D 8.63 4.48 0.00 2.61 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 * Residues marked with a * may have inaccurate shift predictions.