NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3939 8.3344 115.2886 57.7185 63.5202 173.4231 -1 N 4.1133 8.7949 124.1452 56.2892 38.7972 174.5257 0 A 4.1920 8.3507 119.3464 53.1083 18.6039 177.0522 0 L 4.2120 8.2707 117.3464 55.7083 41.9039 176.8522 *4 N 4.7687 8.1927 118.2985 53.7069 40.7009 176.0415 5 E 3.9609 8.0799 117.8390 59.0455 29.6840 178.3138 6 F 4.2857 8.1786 120.3626 61.4984 39.5694 176.9017 7 E 3.6795 8.1578 117.5687 59.0567 29.1597 179.3410 8 K 3.9372 7.8597 118.5613 59.0093 32.0471 179.2403 9 A 3.8273 7.8013 121.1736 55.3457 18.2467 179.4708 10 C 3.8357 7.6707 115.1953 62.7101 28.0926 176.0129 11 E 3.7893 7.9407 120.8600 59.5634 29.1824 179.0198 12 T 3.8082 8.0194 116.0769 66.5599 68.2623 176.4778 13 L 3.7932 7.9505 121.6149 57.9329 42.1086 178.6422 14 R 3.8890 7.8556 118.2087 59.2780 30.2725 178.3673 15 K 3.8536 8.0420 118.3566 58.7584 31.7900 178.9286 16 F 4.2082 8.1584 117.3494 59.6171 39.5527 175.4172 *18 A 4.4642 7.8353 120.7316 52.5006 20.1706 181.2957 19 Y 4.7960 8.0090 114.4883 58.0236 37.0795 178.7235 *21 L 4.2634 8.0519 121.5525 54.9869 43.6648 178.8714 22 E 4.0229 8.4840 116.2201 56.8277 29.5691 177.1139 23 K 3.8484 7.4141 117.3200 57.3279 30.2638 174.9518 24 D 4.7889 8.0694 117.6839 52.8361 43.0139 177.0797 *26 K 4.3367 8.4493 122.8922 56.7625 34.0239 178.6753 27 S 3.8833 8.5445 113.9412 60.9404 62.7338 176.2468 28 W 4.3318 8.1440 131.0874 60.9798 30.5531 178.2331 29 T 4.0420 8.4094 115.1050 66.6383 67.7314 175.8974 30 E 4.2021 7.8516 118.7992 58.1487 29.7101 178.3007 31 L 4.1537 8.0019 118.8350 54.7745 41.9308 176.3201 32 W 4.8017 7.3445 119.1362 54.7443 30.9455 175.8044 33 D 4.5782 8.8249 121.4382 53.7479 41.5544 176.8236 34 E 4.0010 8.9471 124.6104 58.8979 29.6494 178.0214 35 N 5.1399 8.6165 114.2599 52.6040 39.2853 174.5089 36 A 4.5650 7.9264 120.5483 52.5271 20.1362 177.4254 37 V 4.7796 8.8219 118.7347 61.0397 34.7842 174.0972 38 F 5.6781 9.3924 130.4715 56.7448 41.6618 173.6242 39 E 4.6766 9.5067 126.0062 54.5515 33.0565 175.3688 40 F 4.8180 8.3509 121.5459 54.3830 39.6749 173.6826 41 P 4.0189 0.0000 0.0000 65.1205 31.3429 177.0806 42 Y 4.7812 7.1164 112.2607 57.3895 38.0873 175.3558 43 A 4.1096 7.6190 124.2534 51.5925 18.9823 176.8483 44 P 4.5203 0.0000 0.0000 61.7694 32.3974 175.5963 45 E 4.0518 8.4240 118.5189 58.2556 29.6303 178.1931 46 G 3.9473 8.8923 110.3729 45.4477 0.0000 173.3148 47 S 4.6940 7.2408 115.3940 55.3731 64.9157 172.3391 48 P 4.3699 0.0000 0.0000 63.3069 31.6499 176.2698 49 K 4.6384 8.5103 119.4317 56.7140 33.9645 175.7109 50 R 4.9927 7.6257 118.6112 55.2514 33.0878 173.8768 51 I 4.7446 9.0314 126.4384 59.4535 41.2005 173.9493 52 E 4.9387 8.9352 126.0984 55.5796 32.5537 175.5470 53 G 4.0170 9.2943 114.3418 45.9334 0.0000 174.1185 54 K 3.8099 9.0100 123.7337 59.3886 32.1312 179.1249 55 A 4.0343 8.0195 120.1730 55.3163 18.4833 179.3968 56 A 4.0792 8.0068 118.7144 55.1416 18.5110 179.8346 57 I 3.7594 7.9623 118.6689 64.6431 37.1556 177.9573 58 Y 4.2416 8.4188 120.7638 60.8628 38.4473 177.4718 59 D 4.3054 7.9835 117.7156 57.5337 41.3100 177.4303 60 Y 4.1393 7.8858 119.1497 60.3624 39.1269 176.8527 61 I 3.7234 7.9461 118.9038 62.0413 38.0475 177.3484 62 K 3.4361 7.8212 119.0198 59.4148 32.3460 177.2157 63 D 4.7007 7.5699 116.7903 54.0804 41.4290 177.2346 64 Y 4.1884 8.0827 123.3342 60.4764 38.4585 176.5380 65 P 4.2141 0.0000 0.0000 64.1575 31.4808 177.7998 66 K 4.1478 7.4866 115.4312 57.3125 32.4181 177.0243 67 Q 4.4498 8.0025 118.4221 56.5840 31.5725 175.8243 68 I 4.5367 6.9256 118.4880 59.4140 41.1668 174.0558 69 H 4.4310 8.7642 127.3174 54.4969 31.0164 173.6578 70 L 4.3241 8.0552 126.5508 54.6511 41.8828 176.9307 71 S 4.6885 8.9617 119.9421 60.0988 65.2327 174.0581 72 S 4.6554 7.2875 111.3946 57.7647 65.7936 173.9688 73 F 5.7447 8.7244 118.3401 56.1036 42.9440 174.4666 74 T 4.7225 8.8869 110.3786 60.1490 70.6495 174.7278 75 A 4.1105 8.5506 126.4984 51.5718 18.8959 175.9851 76 P 4.8645 0.0000 0.0000 63.1681 32.8051 175.9572 77 T 4.3000 8.8297 118.7963 62.5564 69.8809 173.8626 78 V 4.6168 8.1016 126.5220 61.1826 33.9353 173.9681 79 Y 4.7796 9.1168 125.9803 56.4105 39.9786 175.1635 80 R 4.7323 8.6408 124.2081 54.9357 32.4258 174.8823 81 S 4.6628 8.1348 117.3214 56.2776 63.5484 173.9314 82 A 4.0061 8.8422 130.5527 54.6505 18.3863 177.4520 83 D 4.7314 7.9202 112.8972 54.3407 41.8560 175.4789 84 S 4.6699 7.8179 112.6367 57.2415 66.1415 173.1623 85 N 4.9421 8.5559 115.0876 53.8458 39.4160 174.6848 86 T 4.7490 7.4713 115.5611 62.2598 70.2704 174.6195 87 V 4.7738 9.0003 124.9255 61.1874 35.6436 174.0676 88 I 5.1862 8.7501 126.1160 59.5229 40.6898 174.4128 89 A 5.3630 9.2520 127.3013 50.2573 22.7783 174.5656 90 E 5.3165 8.8573 120.2288 54.6858 33.0613 175.2127 91 F 5.1794 8.1050 116.1661 56.7282 41.8582 172.5460 92 Q 5.6088 9.5548 118.5554 54.4799 33.2133 174.0888 93 C 5.5112 9.4922 115.0440 56.7257 33.6704 172.2904 94 D 5.0722 9.5383 118.5662 52.1988 44.7421 175.8625 95 G 4.0614 7.5321 109.1241 44.6086 0.0000 171.1208 96 H 5.3106 7.8952 115.3195 54.0670 31.9085 172.9051 97 V 3.8846 8.7016 121.5578 62.4051 32.0520 177.0406 98 I 3.6561 8.4421 129.1874 64.6197 37.2679 177.1070 99 E 4.0646 8.4000 119.3857 59.1103 29.4335 177.5619 100 T 4.1888 7.9206 105.9247 61.2005 69.9071 175.7365 101 G 3.9125 8.5850 109.7192 45.0941 0.0000 173.5743 102 L 4.2919 7.5026 119.6422 53.5695 42.9136 174.9510 103 P 4.8264 0.0000 0.0000 63.5122 32.2899 175.2152 104 Y 4.6609 9.0310 123.2558 55.9916 41.9245 174.1656 105 R 4.7540 8.1186 124.9745 54.4253 33.2290 174.5498 106 Q 4.4165 8.5875 124.4826 54.0949 32.5227 173.9578 107 S 5.0410 8.2734 119.6139 56.9147 66.4780 172.5600 108 Y 5.2990 8.9569 121.6140 55.2578 41.8886 174.5987 109 I 5.0882 8.3860 121.3914 59.6464 41.5419 173.7905 110 S 5.3810 9.6207 125.4334 56.7211 66.6951 173.2706 111 V 4.5927 8.5579 123.5380 61.3612 33.5789 174.2325 112 I 4.7443 8.8669 129.2103 59.3355 40.4804 174.5320 113 E 5.3260 9.3153 125.8004 53.8736 32.3596 175.2215 114 T 5.0639 8.3676 112.6001 59.9062 72.7319 173.3411 115 R 4.3352 8.4736 122.2542 55.4493 32.2457 174.7124 116 D 4.4954 10.6100 127.6026 55.2427 40.1637 174.6112 117 G 3.9567 8.7081 106.6248 45.1076 0.0000 174.7515 118 R 4.3162 7.6700 119.5719 55.2654 31.1174 175.6490 119 I 3.9878 8.3221 124.1303 61.5981 37.4656 176.9269 120 V 4.2000 8.8764 120.6094 62.0476 34.1305 175.9393 121 R 5.2275 7.6158 119.4780 55.1164 34.0319 173.5582 122 Y 4.7916 9.3036 126.9998 56.5306 42.2329 173.7320 123 R 4.7487 9.2293 129.8331 55.3310 31.3356 174.6298 124 D 5.6973 9.1610 128.8816 53.2338 40.9961 174.2746 125 Y 4.1112 8.8590 123.0064 56.7850 39.2784 174.5770 126 W 5.7066 7.9440 119.4098 54.8008 31.7412 173.9349 127 N 4.8497 8.9904 119.5213 52.3849 38.2951 173.9079 128 P 4.8654 0.0000 0.0000 65.6251 31.5009 178.1148 129 L 4.0129 8.5905 121.0636 57.9967 41.9557 178.9530 130 V 3.5645 7.8082 117.9125 65.8630 31.4295 178.2353 131 V 3.6272 7.7874 117.5015 65.9407 31.4952 177.9424 132 K 4.3843 8.3499 119.7191 59.1231 31.7147 179.1048 133 E 3.9512 8.3949 117.7157 59.4790 29.4571 179.0638 134 A 3.9277 7.9122 119.6669 53.7370 19.0323 177.9424 135 F 4.7956 7.7542 116.5196 61.0840 40.0759 176.5624 136 G 4.1911 8.8050 104.2522 46.2654 0.0000 172.6014 137 G 4.3304 8.7201 114.9219 46.1709 0.0000 172.7109 138 S 4.5312 7.9192 115.2865 57.7835 63.8515 172.6318 139 F 4.9962 8.2736 121.5374 56.0974 42.3164 174.7907 140 L 2.8257 7.0547 124.0520 55.8638 39.6766 177.0493 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 S 8.33 4.39 0.00 3.84 3.83 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 -1 N 8.79 4.11 0.00 2.76 2.84 0.00 0.00 7.00 7.08 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 A 8.35 4.19 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 0 L 8.27 4.21 0.00 1.36 1.48 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *4 N 8.19 4.77 0.00 2.92 2.85 0.00 0.00 6.72 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 5 E 8.08 3.96 0.00 2.13 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 2.38 2.44 0.00 6 F 8.18 4.29 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 7 E 8.16 3.68 0.00 1.97 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 2.44 2.34 0.00 8 K 7.86 3.94 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.59 7.81 9 A 7.80 3.83 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 10 C 7.67 3.84 0.00 2.75 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 11 E 7.94 3.79 0.00 1.95 2.01 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 2.24 2.28 0.00 12 T 8.02 3.81 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 1.05 0.00 0.00 13 L 7.95 3.79 0.00 1.33 1.62 0.44 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.86 3.89 0.00 1.78 1.98 0.00 3.25 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 15 K 8.04 3.85 0.00 1.81 1.46 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.48 7.81 16 F 8.16 4.21 0.00 3.03 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 *18 A 7.84 4.46 1.19 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 19 Y 8.01 4.80 0.00 3.23 3.22 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 *21 L 8.05 4.26 0.00 1.97 1.80 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.48 4.02 0.00 2.26 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 2.63 2.54 0.00 23 K 7.41 3.85 0.00 1.96 1.89 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.46 7.81 24 D 8.07 4.79 0.00 2.76 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 *26 K 8.45 4.34 0.00 1.89 1.82 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.60 7.81 27 S 8.54 3.88 0.00 3.17 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 28 W 8.14 4.33 0.00 3.54 3.23 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 29 T 8.41 4.04 4.50 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 1.28 0.00 0.00 30 E 7.85 4.20 0.00 1.98 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 0.00 2.56 2.44 0.00 31 L 8.00 4.15 0.00 1.51 1.49 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 W 7.34 4.80 0.00 3.24 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 33 D 8.82 4.58 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 34 E 8.95 4.00 0.00 2.10 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 2.40 2.43 0.00 35 N 8.62 5.14 0.00 2.73 2.80 0.00 0.00 6.99 7.20 0.00 0.00 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 A 7.93 4.57 1.74 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 37 V 8.82 4.78 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 0.98 0.00 0.00 0.98 0.00 0.00 38 F 9.39 5.68 0.00 2.92 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 39 E 9.51 4.68 0.00 1.72 1.60 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 2.14 2.23 0.00 40 F 8.35 4.82 0.00 2.88 2.50 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 41 P 0.00 4.02 0.00 0.83 1.67 0.00 3.03 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.57 0.00 42 Y 7.12 4.78 0.00 2.69 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 43 A 7.62 4.11 1.21 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 44 P 0.00 4.52 0.00 2.22 2.28 0.00 3.44 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 2.16 0.00 45 E 8.42 4.05 0.00 1.96 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 2.31 0.00 46 G 8.89 3.95 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 0.00 0.00 0.00 47 S 7.24 4.69 0.00 3.35 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 48 P 0.00 4.37 0.00 2.23 2.12 0.00 3.82 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 2.04 2.18 0.00 49 K 8.51 4.64 0.00 1.77 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 50 R 7.63 4.99 0.00 1.75 1.74 0.00 3.16 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 51 I 9.03 4.74 1.89 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 1.06 0.68 0.94 0.00 0.00 52 E 8.94 4.94 0.00 1.95 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 2.20 2.32 0.00 53 G 9.29 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 54 K 9.01 3.81 0.00 2.03 2.00 0.00 1.91 0.00 0.00 1.84 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 55 A 8.02 4.03 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 56 A 8.01 4.08 1.40 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 57 I 7.96 3.76 1.85 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.24 0.00 0.00 58 Y 8.42 4.24 0.00 3.05 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 59 D 7.98 4.31 0.00 2.89 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 60 Y 7.89 4.14 0.00 3.09 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 61 I 7.95 3.72 2.03 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.78 0.84 0.00 0.00 62 K 7.82 3.44 0.00 1.29 0.83 0.00 1.40 0.00 0.00 1.34 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.18 7.81 63 D 7.57 4.70 0.00 2.53 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 64 Y 8.08 4.19 0.00 2.73 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 65 P 0.00 4.21 0.00 1.95 1.98 0.00 3.60 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 66 K 7.49 4.15 0.00 1.82 1.75 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81 67 Q 8.00 4.45 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 68 I 6.93 4.54 0.87 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.01 0.47 0.00 0.00 69 H 8.76 4.43 0.00 2.94 2.64 0.00 5.58 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.06 4.32 0.00 1.39 1.30 1.04 0.93 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 71 S 8.96 4.69 0.00 3.82 3.90 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 72 S 7.29 4.66 0.00 3.88 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 73 F 8.72 5.74 0.00 2.99 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 74 T 8.89 4.72 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 1.36 0.00 0.00 75 A 8.55 4.11 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 76 P 0.00 4.86 0.00 2.12 2.06 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 77 T 8.83 4.30 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 0.80 0.00 0.00 78 V 8.10 4.62 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 0.86 0.00 0.00 0.85 0.00 0.00 79 Y 9.12 4.78 0.00 2.89 2.82 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 80 R 8.64 4.73 0.00 1.08 1.46 0.00 2.28 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.85 0.00 81 S 8.13 4.66 0.00 3.85 3.78 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 0.00 0.00 0.00 0.00 82 A 8.84 4.01 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 83 D 7.92 4.73 0.00 2.64 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 84 S 7.82 4.67 0.00 3.90 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 85 N 8.56 4.94 0.00 2.68 2.96 0.00 0.00 6.77 7.05 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 86 T 7.47 4.75 4.22 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 1.19 0.00 0.00 87 V 9.00 4.77 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 0.91 0.00 0.00 1.08 0.00 0.00 88 I 8.75 5.19 2.07 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 1.17 0.56 1.10 0.00 0.00 89 A 9.25 5.36 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 90 E 8.86 5.32 0.00 2.02 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 0.00 2.30 2.46 0.00 91 F 8.10 5.18 0.00 3.30 3.15 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 92 Q 9.55 5.61 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 93 C 9.49 5.51 0.00 2.63 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 94 D 9.54 5.07 0.00 2.74 2.48 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 95 G 7.53 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 0.00 0.00 0.00 96 H 7.90 5.31 0.00 3.51 3.35 0.00 5.26 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.70 3.88 2.01 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 0.85 0.00 0.00 0.74 0.00 0.00 98 I 8.44 3.66 1.81 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 1.09 0.83 0.87 0.00 0.00 99 E 8.40 4.06 0.00 1.93 2.01 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 2.30 2.31 0.00 100 T 7.92 4.19 4.22 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 1.20 0.00 0.00 101 G 8.59 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 0.00 102 L 7.50 4.29 0.00 1.63 1.58 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.83 0.00 1.93 2.00 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 104 Y 9.03 4.66 0.00 2.92 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 0.00 105 R 8.12 4.75 0.00 1.53 1.69 0.00 3.51 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 106 Q 8.59 4.42 0.00 1.54 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 1.93 1.21 0.00 107 S 8.27 5.04 0.00 3.74 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 0.00 108 Y 8.96 5.30 0.00 1.70 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 0.00 109 I 8.39 5.09 1.86 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 1.33 1.69 0.72 0.00 0.00 110 S 9.62 5.38 0.00 3.68 3.32 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 0.00 111 V 8.56 4.59 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 1.03 0.00 0.00 112 I 8.87 4.74 1.57 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.07 0.49 0.00 0.00 113 E 9.32 5.33 0.00 1.81 1.76 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 2.17 2.00 0.00 114 T 8.37 5.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 115 R 8.47 4.34 0.00 1.78 1.75 0.00 3.23 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 116 D 10.61 4.50 0.00 2.66 2.66 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 0.00 117 G 8.71 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 0.00 0.00 0.00 118 R 7.67 4.32 0.00 1.97 1.81 0.00 3.13 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 119 I 8.32 3.99 0.85 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.32 0.11 0.00 0.00 120 V 8.88 4.20 2.09 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 0.74 0.00 0.00 0.92 0.00 0.00 121 R 7.62 5.23 0.00 1.86 1.69 0.00 3.33 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 122 Y 9.30 4.79 0.00 2.86 2.91 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 0.00 123 R 9.23 4.75 0.00 1.88 1.92 0.00 3.17 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.21 0.00 124 D 9.16 5.70 0.00 3.36 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 0.00 125 Y 8.86 4.11 0.00 3.05 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 0.00 126 W 7.94 5.71 0.00 3.41 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 0.00 127 N 8.99 4.85 0.00 2.84 2.82 0.00 0.00 6.63 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 0.00 128 P 0.00 4.87 0.00 2.56 2.90 0.00 3.92 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 129 L 8.59 4.01 0.00 1.78 1.97 0.93 0.92 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 0.00 130 V 7.81 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 0.72 0.00 0.00 0.91 0.00 0.00 131 V 7.79 3.63 2.46 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 0.90 0.00 0.00 0.76 0.00 0.00 132 K 8.35 4.38 0.00 2.08 1.93 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.66 7.81 133 E 8.39 3.95 0.00 2.16 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 0.00 2.36 2.47 0.00 134 A 7.91 3.93 0.75 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 0.00 135 F 7.75 4.80 0.00 3.24 2.91 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 0.00 136 G 8.81 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 G 8.72 4.33 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 0.00 138 S 7.92 4.53 0.00 4.19 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 0.00 139 F 8.27 5.00 0.00 2.98 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 0.00 140 L 7.05 2.83 0.00 1.13 1.21 0.40 -0.22 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 * Residues marked with a * may have inaccurate shift predictions.