NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4581 8.2116 122.9624 51.5908 20.0072 175.4902 3 D 4.1874 8.1009 117.9851 53.9598 41.0823 175.3450 4 K 4.0665 9.3647 127.0453 58.0197 33.0328 177.0028 5 E 4.3367 8.1201 117.5143 56.3805 30.0493 176.3837 6 L 3.9165 7.8128 121.3841 55.6768 42.6754 175.9371 7 K 4.7350 8.6588 126.7757 55.8120 33.4500 175.2338 8 F 5.2481 9.6758 126.9178 56.1015 41.7360 174.5536 9 L 5.2057 9.0780 123.9483 53.4564 44.6914 175.0627 10 V 4.8106 8.9442 127.1912 61.3143 33.3204 174.3318 11 V 4.9597 8.4932 128.6206 61.4688 34.0333 173.7312 12 D 4.7189 8.7077 124.8255 53.7440 44.9212 175.8120 13 D 4.7506 9.1411 122.6018 53.3785 40.3295 176.3500 14 F 4.6401 8.7250 121.1430 55.8542 40.7807 176.5363 15 S 4.2423 8.7284 119.7491 61.8132 62.8174 176.7152 16 T 3.9260 7.9880 119.0145 66.5976 68.2930 176.2278 17 M 4.0477 8.1182 119.7403 58.7189 32.2859 178.3217 18 R 4.0004 8.1345 118.3270 59.2539 30.1615 179.0329 19 R 3.9288 8.2716 118.6471 59.2832 29.9534 178.6854 20 I 3.6245 7.7116 119.7541 64.3953 37.0505 178.6297 21 V 3.5479 7.9035 119.1019 65.8942 31.2808 177.9539 22 R 3.8741 8.3882 118.9740 59.4355 29.7940 178.0783 23 N 4.2865 8.3017 116.9729 56.5872 39.0344 176.9112 24 L 3.9557 8.1768 120.7506 57.7641 41.6087 179.4762 25 L 3.9530 8.2306 119.3229 57.6278 41.5020 179.4416 26 K 3.9171 8.3443 119.8272 59.5913 31.8880 178.6113 27 E 3.9783 8.2267 118.0917 59.3844 29.5074 178.8580 28 L 4.2775 7.6576 116.3543 55.4490 41.9203 177.8675 29 G 3.7604 7.7650 107.1319 45.0123 0.0000 173.6246 30 F 4.7497 8.1375 119.1713 56.2457 38.5400 175.3527 31 N 4.6790 8.6831 122.8751 53.4584 39.5889 175.5124 32 N 4.8742 8.0448 116.5244 51.7992 38.8784 173.5004 33 V 5.1796 8.1722 121.9917 61.0819 34.9704 173.8751 34 E 5.0410 9.6344 125.7892 54.7063 33.7573 174.3989 35 E 5.4299 8.8000 118.9048 54.8943 33.5850 175.3443 36 A 4.7549 8.7808 121.8228 50.8715 22.2238 177.1364 37 E 4.6624 9.2128 118.7430 57.0131 30.5220 175.5444 38 D 4.6033 7.5120 117.6897 51.3084 43.1865 176.0562 39 G 3.5337 8.5071 105.9641 47.8382 0.0000 176.1823 40 V 3.5519 7.7519 119.9805 65.9836 31.7045 177.6847 41 D 4.3112 8.9946 118.8200 57.2228 40.5555 178.7532 42 A 3.8750 8.0922 121.3608 55.1536 18.4453 179.5917 43 L 3.8946 8.0537 117.6771 58.0624 41.4382 179.5415 44 N 4.3469 8.1105 115.5176 56.3458 38.8308 177.3398 45 K 4.2012 8.0677 119.8835 59.3348 32.0504 179.4389 46 L 3.9308 8.2045 119.7734 57.8640 41.2630 179.5480 47 Q 3.9904 8.0776 116.9005 58.6908 28.6560 178.4097 48 A 4.1717 7.7499 121.0186 52.3819 18.5332 178.5482 49 G 3.9111 7.9861 103.2303 46.2434 0.0000 174.0771 50 G 3.8631 8.7407 106.2142 45.2439 0.0000 173.5633 51 Y 4.3574 7.6990 116.8745 57.6755 38.6950 175.3313 52 G 4.2101 8.7722 108.5082 45.8656 0.0000 172.5802 53 F 4.4318 7.6195 120.6462 56.9634 42.9615 172.5157 54 V 4.9240 8.2614 125.0406 61.1568 34.5945 174.0347 55 I 5.0523 9.0053 128.4367 59.8113 39.5170 173.0996 56 S 5.1270 8.8838 126.1177 56.4764 65.6636 174.5828 *58 W 4.6197 8.7639 123.7358 57.2050 32.9962 175.7175 59 N 5.0086 8.4987 120.5939 52.7005 37.7686 173.4768 60 M 4.9036 7.9900 123.9905 52.8562 36.2400 173.4082 61 P 4.4499 0.0000 0.0000 63.2834 32.5344 175.2431 62 N 4.5237 9.0232 119.3910 53.7187 36.9117 174.7768 63 M 4.4953 7.2759 117.6562 53.0150 34.8916 174.4411 64 D 4.9018 8.4654 126.8761 52.3167 42.2547 177.1690 65 G 3.4781 8.3431 106.1601 47.8005 0.0000 175.6867 66 L 3.6088 6.8480 122.1193 57.7230 42.0697 178.5515 67 E 3.8046 8.3125 119.3483 58.8158 29.4190 178.5328 68 L 3.8348 7.7665 120.5787 57.9503 42.1244 178.6033 69 L 3.8698 7.9366 120.3697 58.2888 41.9191 179.1473 70 K 3.9270 8.2538 118.5722 59.7169 31.6793 179.5728 71 T 3.8918 7.7419 115.4290 66.4458 68.6682 176.6593 72 I 3.8147 8.0032 122.0979 64.5766 36.9732 178.8289 73 R 4.1320 8.0346 117.1568 58.5867 29.9250 178.1162 74 A 4.3271 7.5305 118.3412 51.6690 19.4994 176.5947 75 D 4.5266 7.6467 118.9592 53.0271 42.0115 177.5886 76 G 3.5955 8.7582 115.4320 48.2329 0.0000 174.2459 77 A 4.3035 8.5915 122.1141 53.7068 19.2174 177.7456 78 M 4.8403 7.9782 114.4501 54.9157 33.3580 177.4989 79 S 4.1517 7.9824 116.0870 60.7980 62.9384 174.9805 80 A 4.5278 7.6932 120.9511 51.2443 19.2132 176.0246 81 L 3.9128 7.6852 120.1928 55.1219 42.7059 175.2600 82 P 4.0890 0.0000 0.0000 62.5303 32.6677 175.4552 83 V 4.5701 8.4806 123.3414 61.1073 34.8197 173.5833 84 L 5.0629 9.1555 131.2105 53.8313 43.8071 175.0446 85 M 4.9262 9.0328 126.7778 54.5927 33.9335 175.3217 86 V 4.9163 8.8360 123.5721 61.1624 33.4036 174.8014 87 I 4.7754 8.8521 120.9748 59.1448 40.3403 176.4345 88 A 4.1887 8.6765 125.5861 54.0413 19.1527 177.6765 89 E 4.6318 7.5682 112.7862 54.8704 34.0151 175.8059 90 A 4.1674 8.2283 125.5521 51.2657 17.1730 178.2343 91 K 4.1198 7.3185 121.7975 54.5860 33.5079 177.3372 92 K 3.7062 8.6208 126.1240 59.7988 32.0522 178.2262 93 E 3.8922 8.0101 118.0593 59.4684 29.2871 178.9867 94 N 4.1118 7.7014 115.9548 55.9776 38.6155 177.3869 95 I 3.2366 7.2997 121.1542 64.3133 37.0696 178.6210 96 I 3.6900 7.9328 120.6460 64.1325 36.9310 178.2981 97 A 4.0373 8.1682 121.4934 55.1837 18.1736 179.5695 98 A 4.1102 8.5223 119.3777 55.2577 18.4768 179.7462 99 A 3.9583 8.1943 119.3300 55.5476 18.2773 179.9640 100 Q 3.9960 8.3861 115.5961 58.7408 28.8679 178.0753 101 A 4.3250 7.8219 119.4505 52.5509 18.6727 177.9550 102 G 3.9220 7.8157 105.8618 44.9369 0.0000 173.9832 103 A 4.1062 7.8374 122.1316 52.2864 18.7614 179.1874 104 S 4.1805 8.9750 118.2544 60.4172 63.3153 174.3300 105 G 4.1740 7.2326 106.2675 46.3690 0.0000 171.2415 106 Y 5.5894 8.1879 116.6740 55.5581 41.4308 175.0282 107 V 4.2651 8.8453 112.7986 59.6552 36.3617 174.5845 108 V 4.7070 8.3823 124.7241 61.6111 32.1970 175.6756 109 K 4.8302 8.9384 128.4229 55.8413 33.6509 175.2878 110 P 4.5079 0.0000 0.0000 62.4032 32.2852 175.4747 111 F 5.0291 7.7007 114.4170 54.8204 40.9379 175.2902 112 T 4.3487 8.2635 112.5336 60.7422 71.4802 175.6915 113 A 4.0534 8.4064 122.4213 55.2301 18.2871 179.7429 114 A 4.0217 7.9785 118.9322 55.4868 18.4575 179.9050 115 T 3.7951 8.0887 114.3603 66.5897 68.5558 176.6184 116 L 3.8493 8.1293 122.2492 58.1129 42.0676 178.4923 117 E 3.9649 8.5620 119.5723 59.4196 29.6059 178.3605 118 E 3.9445 8.3878 119.3279 59.2331 29.6706 178.9961 119 K 3.9150 8.1766 118.4732 59.3665 32.0536 179.2223 120 L 3.6847 8.2021 119.6009 57.8997 41.4815 179.3738 121 N 4.5602 8.5828 116.8639 56.3123 38.4598 177.6459 122 K 4.0212 8.2018 120.1982 59.9139 32.5313 179.4214 123 I 3.6587 7.8699 120.9526 64.3002 37.0906 178.4742 124 F 4.5432 8.3518 118.9959 60.3819 38.7121 177.1934 125 E 4.0089 8.6447 119.3069 59.5960 29.2775 179.1963 126 K 4.0169 8.1367 116.7860 58.9332 32.1716 178.3308 127 L 4.4740 7.6130 117.0747 53.6586 42.3980 176.3139 128 G 3.8897 8.2047 106.8225 47.2807 0.0000 173.8803 129 M 4.3494 8.3319 124.2425 55.1734 32.7840 175.9136 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 2 A 8.21 4.46 0.40 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 3 D 8.10 4.19 0.00 2.81 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 4 K 9.36 4.07 0.00 1.62 1.67 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.17 1.14 7.81 5 E 8.12 4.34 0.00 2.17 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 2.29 2.24 0.00 6 L 7.81 3.92 0.00 2.04 1.94 0.97 0.90 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 7 K 8.66 4.73 0.00 1.80 1.62 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.40 7.81 8 F 9.68 5.25 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 9 L 9.08 5.21 0.00 1.36 1.40 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.94 4.81 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 0.97 0.00 0.00 1.06 0.00 0.00 11 V 8.49 4.96 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 0.91 0.00 0.00 0.93 0.00 0.00 12 D 8.71 4.72 0.00 2.84 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 13 D 9.14 4.75 0.00 2.69 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 14 F 8.73 4.64 0.00 3.26 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 15 S 8.73 4.24 0.00 4.08 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 0.00 16 T 7.99 3.93 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 1.22 0.00 0.00 17 M 8.12 4.05 0.00 2.41 2.06 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.82 0.00 18 R 8.13 4.00 0.00 2.10 2.02 0.00 3.37 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 19 R 8.27 3.93 0.00 2.01 2.13 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 20 I 7.71 3.62 1.97 0.00 0.00 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 1.34 0.64 0.70 0.00 0.00 21 V 7.90 3.55 2.15 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 1.21 0.00 0.00 1.09 0.00 0.00 22 R 8.39 3.87 0.00 1.96 2.07 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 23 N 8.30 4.29 0.00 2.88 2.88 0.00 0.00 7.22 6.30 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 24 L 8.18 3.96 0.00 1.84 1.71 0.58 0.73 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 25 L 8.23 3.95 0.00 1.72 1.62 0.62 -0.18 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 26 K 8.34 3.92 0.00 1.86 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 27 E 8.23 3.98 0.00 2.15 2.00 0.00 0.00 0.00 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 2.56 0.00 28 L 7.66 4.28 0.00 2.03 1.89 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.76 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 30 F 8.14 4.75 0.00 2.92 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 31 N 8.68 4.68 0.00 2.73 2.88 0.00 0.00 7.12 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 N 8.04 4.87 0.00 2.78 2.84 0.00 0.00 6.51 7.68 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 33 V 8.17 5.18 2.16 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 0.93 0.00 0.00 0.98 0.00 0.00 34 E 9.63 5.04 0.00 2.27 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 2.32 2.40 0.00 35 E 8.80 5.43 0.00 1.85 1.86 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 2.26 2.34 0.00 36 A 8.78 4.75 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 37 E 9.21 4.66 0.00 2.17 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 2.25 0.00 38 D 7.51 4.60 0.00 3.03 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 39 G 8.51 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 0.00 0.00 0.00 40 V 7.75 3.55 2.16 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 1.11 0.00 0.00 0.90 0.00 0.00 41 D 8.99 4.31 0.00 2.80 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 42 A 8.09 3.88 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 43 L 8.05 3.89 0.00 1.80 1.70 0.88 0.82 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 44 N 8.11 4.35 0.00 2.82 2.88 0.00 0.00 7.10 7.72 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 45 K 8.07 4.20 0.00 1.80 1.79 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.48 7.81 46 L 8.20 3.93 0.00 1.71 1.67 0.81 0.61 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 47 Q 8.08 3.99 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 48 A 7.75 4.17 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 49 G 7.99 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 50 G 8.74 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 51 Y 7.70 4.36 0.00 3.02 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 52 G 8.77 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 0.00 0.00 0.00 0.00 53 F 7.62 4.43 0.00 2.37 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 54 V 8.26 4.92 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 0.89 0.00 0.00 0.84 0.00 0.00 55 I 9.01 5.05 2.06 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 1.38 1.10 1.04 0.00 0.00 56 S 8.88 5.13 0.00 3.86 3.60 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 *58 W 8.76 4.62 0.00 3.59 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 59 N 8.50 5.01 0.00 2.98 2.92 0.00 0.00 6.73 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 60 M 7.99 4.90 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 61 P 0.00 4.45 0.00 2.15 2.05 0.00 3.87 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 1.95 1.94 0.00 62 N 9.02 4.52 0.00 2.88 2.99 0.00 0.00 6.59 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 63 M 7.28 4.50 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.43 0.00 64 D 8.47 4.90 0.00 2.98 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 65 G 8.34 3.48 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 0.00 0.00 0.00 0.00 66 L 6.85 3.61 0.00 0.44 1.18 0.88 0.81 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 67 E 8.31 3.80 0.00 1.96 1.80 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 2.23 2.24 0.00 68 L 7.77 3.83 0.00 1.73 1.73 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.94 3.87 0.00 1.73 1.81 0.88 1.04 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 70 K 8.25 3.93 0.00 1.89 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.59 7.81 71 T 7.74 3.89 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 1.17 0.00 0.00 72 I 8.00 3.81 1.95 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 1.46 0.88 0.87 0.00 0.00 73 R 8.03 4.13 0.00 1.74 1.97 0.00 3.28 0.00 0.00 3.44 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 74 A 7.53 4.33 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 75 D 7.65 4.53 0.00 2.81 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 76 G 8.76 3.60 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 0.00 0.00 0.00 77 A 8.59 4.30 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 78 M 7.98 4.84 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.48 0.00 79 S 7.98 4.15 0.00 4.06 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 0.00 80 A 7.69 4.53 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 81 L 7.69 3.91 0.00 1.65 1.54 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.09 0.00 0.49 1.21 0.00 3.51 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 1.96 1.91 0.00 83 V 8.48 4.57 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 0.96 0.00 0.00 0.86 0.00 0.00 84 L 9.16 5.06 0.00 2.03 1.76 0.90 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 M 9.03 4.93 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.74 0.00 86 V 8.84 4.92 2.23 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 1.02 0.00 0.00 1.02 0.00 0.00 87 I 8.85 4.78 1.66 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.74 0.00 0.00 88 A 8.68 4.19 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 89 E 7.57 4.63 0.00 1.82 1.75 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 2.18 2.26 0.00 90 A 8.23 4.17 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 91 K 7.32 4.12 0.00 1.54 1.80 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.34 7.81 92 K 8.62 3.71 0.00 1.79 1.75 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 93 E 8.01 3.89 0.00 2.03 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 2.37 2.42 0.00 94 N 7.70 4.11 0.00 2.15 1.42 0.00 0.00 7.15 7.21 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 95 I 7.30 3.24 1.68 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.13 0.57 0.00 0.00 96 I 7.93 3.69 1.83 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 1.56 0.84 0.90 0.00 0.00 97 A 8.17 4.04 1.57 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 0.00 0.00 98 A 8.52 4.11 1.61 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 99 A 8.19 3.96 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 0.00 100 Q 8.39 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 101 A 7.82 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.82 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 0.00 0.00 0.00 103 A 7.84 4.11 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 0.00 104 S 8.98 4.18 0.00 3.79 3.81 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 0.00 105 G 7.23 4.17 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 0.00 106 Y 8.19 5.59 0.00 2.88 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 0.00 107 V 8.85 4.27 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 0.32 0.00 0.00 0.31 0.00 0.00 108 V 8.38 4.71 2.15 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 0.89 0.00 0.00 1.10 0.00 0.00 109 K 8.94 4.83 0.00 1.88 2.04 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.70 1.42 7.81 110 P 0.00 4.51 0.00 2.13 2.02 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 111 F 7.70 5.03 0.00 3.09 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 0.00 112 T 8.26 4.35 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 0.00 113 A 8.41 4.05 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 0.00 114 A 7.98 4.02 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 0.00 115 T 8.09 3.80 4.53 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 1.16 0.00 0.00 116 L 8.13 3.85 0.00 2.03 1.93 0.80 0.75 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 0.00 117 E 8.56 3.96 0.00 2.17 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 0.00 2.36 2.41 0.00 118 E 8.39 3.94 0.00 2.07 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 0.00 2.28 2.35 0.00 119 K 8.18 3.92 0.00 1.82 1.75 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.54 1.42 7.81 120 L 8.20 3.68 0.00 1.82 1.71 0.59 -0.10 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 0.00 121 N 8.58 4.56 0.00 2.96 2.95 0.00 0.00 6.84 7.80 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 0.00 122 K 8.20 4.02 0.00 2.00 2.07 0.00 1.29 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.46 7.81 123 I 7.87 3.66 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 0.77 0.00 0.00 124 F 8.35 4.54 0.00 3.17 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 0.00 125 E 8.64 4.01 0.00 2.29 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 0.00 2.35 2.42 0.00 126 K 8.14 4.02 0.00 1.92 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.68 7.81 127 L 7.61 4.47 0.00 1.85 1.78 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.20 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 0.00 0.00 0.00 129 M 8.33 4.35 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.