NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3295 8.3149 122.1404 54.5220 34.5435 175.3805 3 Q 4.0829 7.8157 118.7871 54.5741 29.6116 174.0428 4 S 4.6905 9.2895 118.0951 57.3731 65.2729 173.3865 5 H 4.9365 8.4231 122.3404 55.7827 28.7402 176.8893 6 F 4.1219 8.2237 124.8446 61.8938 39.1063 177.3941 7 F 3.6464 8.2688 116.3230 59.9435 38.5911 177.3314 8 A 4.0090 8.1659 119.5232 55.6531 18.4052 179.0253 9 H 4.1735 8.4201 114.5037 58.9994 28.8612 177.7423 10 L 3.8664 7.6539 121.0335 57.9441 41.2439 179.5054 11 S 4.2885 8.0827 112.2153 60.3434 63.0992 175.5401 12 R 4.3941 8.0889 121.7014 56.3480 30.1851 177.8140 13 L 4.0206 7.9778 121.2705 57.6313 41.4162 179.3858 14 K 4.2797 7.9776 116.4270 59.3352 32.6772 177.7827 15 L 4.1638 7.6892 118.5651 56.2392 42.1716 176.5737 16 I 4.2819 7.6091 121.1525 60.2939 38.2946 174.6850 17 N 5.3464 8.7654 124.6158 52.1301 40.2532 175.0841 18 R 4.2980 9.0787 122.0908 53.9190 32.4391 176.0256 19 W 3.6127 7.8353 117.5844 57.5872 26.2608 173.7428 20 P 4.5439 0.0000 0.0000 64.8443 31.8400 176.7751 21 L 4.2580 7.6327 118.5964 55.0609 41.9016 176.4054 *23 R 4.0976 7.9164 117.8583 56.2697 30.8935 173.7944 24 N 5.0974 8.5794 122.2615 51.3013 40.7530 175.0893 25 V 3.6871 9.0663 123.6565 65.1958 31.8219 176.4475 26 R 4.5554 7.8250 118.1060 54.2703 32.4927 174.5033 27 T 4.1407 8.6392 122.3713 63.7036 69.4282 173.1246 28 E 4.9387 9.0003 127.2840 54.6096 32.0946 174.9095 29 N 5.2434 8.8827 124.5223 51.4936 40.0660 176.2720 30 V 3.7296 8.5134 117.9440 65.6893 31.4027 178.0228 31 S 4.0790 8.1022 112.8658 61.2469 62.3107 175.6640 32 E 3.9666 8.6697 121.3859 59.7757 29.1822 178.6761 33 H 4.2033 8.3307 118.1296 59.6563 29.8077 177.4486 34 S 4.0562 8.2135 116.7865 61.3694 62.4391 176.3724 35 L 3.9225 7.7685 122.1958 58.1364 41.8939 178.5529 36 Q 4.1083 7.6976 118.2896 59.1363 29.2631 177.9429 37 V 3.7211 8.0570 119.3991 65.7276 31.5113 178.1882 38 A 4.2212 7.9453 116.6462 53.2216 17.9431 179.0170 *40 V 3.8586 7.7691 121.7936 64.1606 33.6228 177.6917 41 A 3.9311 8.2358 121.5973 55.2845 18.1473 178.9970 42 H 4.0468 8.3334 116.5695 59.3729 29.8375 177.2116 43 A 4.0194 8.0565 121.9660 55.2803 18.2247 179.3296 44 L 4.0002 8.4136 117.6198 57.8761 41.6258 179.6946 45 A 3.9447 8.1108 120.3554 55.1094 18.3872 179.5081 46 A 3.8816 7.9951 119.2822 55.3154 18.3526 179.8757 47 I 3.4783 8.0295 118.5399 64.4243 37.1362 178.5526 48 K 4.1956 8.3164 120.4972 59.6301 31.7785 178.5913 49 N 4.5291 8.1117 115.8160 56.4768 38.5960 177.1483 50 R 3.9840 8.2825 119.1013 58.4112 30.2751 177.6047 51 K 4.1499 7.9370 115.8858 55.8139 33.7818 176.4572 52 F 4.9566 7.3865 116.9742 57.3050 40.2438 175.4377 53 G 3.9060 8.7190 106.4785 45.9036 0.0000 174.9189 54 G 3.8441 8.0304 108.3845 45.3662 0.0000 173.4508 55 N 5.0144 8.2074 115.7545 52.2768 39.0317 174.5926 56 V 4.2094 8.4666 112.1806 60.1147 33.7762 177.8170 57 N 4.5737 8.4125 122.0157 52.8296 37.8250 175.3013 58 A 4.0770 8.2738 129.2441 54.5362 18.7355 178.8902 59 E 3.9525 8.2271 117.1381 59.4766 29.5755 179.1196 60 R 3.8714 8.1414 118.5095 59.4191 30.0697 178.5658 61 I 3.5426 7.7633 119.3733 64.2025 36.8759 177.9576 62 A 3.9870 7.6723 120.3410 55.3482 18.2782 179.1321 63 L 4.1371 7.5094 116.6154 58.2672 42.2294 178.7853 64 L 4.1870 7.9232 117.8947 57.4970 41.7755 180.9655 65 A 4.2409 8.0665 121.3058 52.0512 18.4399 178.3356 *67 Y 4.5643 7.8566 117.8256 59.1382 40.0700 176.9609 68 H 4.3972 8.2578 120.3303 58.9321 30.2489 175.5891 69 D 4.7743 8.0132 116.4081 54.0682 41.4639 177.7456 70 A 4.0067 8.2113 124.9269 55.3505 18.2472 180.4955 71 S 4.1679 8.2666 111.9845 61.5157 62.4791 176.2904 72 E 4.2279 8.1115 123.2616 58.3188 28.8767 179.2195 73 V 3.7545 7.5244 111.5578 63.7472 31.5737 177.4283 74 L 4.4642 8.0778 117.7992 55.3101 42.3827 177.2461 75 T 4.2908 7.8427 107.4105 60.3935 70.7335 175.0871 76 G 3.8471 8.1494 109.8346 44.5988 0.0000 171.3729 77 D 4.7282 8.3040 117.3574 51.9633 41.8055 175.3190 78 L 4.3998 8.2447 128.9490 52.2068 42.8843 174.0022 79 P 4.1833 0.0000 0.0000 62.6456 32.0144 175.5898 80 T 4.3695 7.9840 111.2434 59.5166 70.1906 172.5294 81 P 4.2662 0.0000 0.0000 65.2151 32.4206 177.3945 *92 E 4.3216 7.9119 112.7607 55.1681 31.9281 179.0380 93 Y 4.2761 8.0377 120.5697 61.6073 38.8043 177.6710 94 K 4.3625 8.6512 125.5850 59.0661 31.4940 182.9893 95 A 4.1840 8.3429 120.3003 54.9833 18.3698 179.5906 96 I 3.4249 7.2853 117.9722 64.5582 37.2411 178.0783 97 E 3.8126 7.8475 121.6430 60.0568 29.3327 180.1757 98 K 3.9245 8.1767 123.8623 60.0053 31.5828 181.0067 99 I 3.8707 7.5521 120.2464 64.1141 36.9976 178.4841 100 A 3.9456 8.0256 121.6555 55.1975 18.1350 179.6805 101 Q 4.0200 8.4131 119.2634 59.7874 28.7745 179.7914 102 Q 4.0010 8.0630 121.6325 60.2529 27.9752 180.5401 103 K 4.2045 8.1041 119.9495 58.9944 32.0691 179.0933 104 L 4.1100 7.8542 119.8985 58.2907 42.2317 178.7335 105 V 3.6288 7.8803 117.0820 65.7627 32.0341 178.0367 106 D 4.5074 8.3934 120.4384 52.7336 39.4365 176.7706 *108 V 3.4275 7.1851 117.3508 61.5788 32.9787 172.9482 109 P 4.3126 0.0000 0.0000 62.6342 31.9873 176.8020 110 E 3.9119 8.9300 122.2365 59.4941 29.3117 178.9050 111 E 4.1563 8.1444 115.0213 57.9265 30.2211 177.5363 112 L 4.7006 7.8001 118.7712 54.4937 42.9238 178.0459 113 R 3.9354 7.8018 120.5059 59.2555 29.8273 177.8535 114 D 4.4231 8.0177 117.3417 55.8913 39.4618 178.1514 115 I 3.6872 7.4401 121.3037 63.8806 37.3879 177.3808 116 F 4.2395 7.9628 116.8872 58.5283 39.5682 177.8579 117 A 4.0347 8.0607 121.2098 54.6059 18.0375 177.2166 118 P 4.5968 0.0000 0.0000 63.9319 31.7840 177.4001 119 L 4.3618 7.6409 119.2700 57.4239 42.0808 178.3298 120 I 4.4271 7.7227 118.0553 62.2094 37.7970 175.4499 121 D 4.7836 7.8577 120.6418 52.5703 40.6753 176.8874 122 E 2.5400 8.3018 126.4226 58.5438 29.8173 178.4869 123 H 4.2739 7.8207 114.2956 58.0605 28.9019 175.8192 124 A 4.3381 7.7517 120.6363 52.9351 18.6540 176.9958 125 Y 4.7406 7.6544 114.8598 56.9221 38.9251 176.4671 126 S 4.4135 9.3886 119.5301 58.3545 65.1458 175.3080 127 D 4.3739 8.6493 122.3000 57.5858 40.4337 178.8682 128 E 3.9572 8.1107 119.3167 59.1706 29.8115 178.4421 129 E 3.8893 8.2491 118.6522 59.4144 29.5726 179.3560 130 K 4.2038 8.5022 119.9543 59.3375 32.2242 178.6440 131 S 4.0881 8.1926 113.5204 61.5184 62.3624 176.1793 132 L 3.9639 8.1619 121.7781 57.8583 41.3768 179.7923 133 V 3.5772 7.8782 118.0699 66.0003 31.5908 178.2355 134 K 4.1186 8.2802 118.0693 59.0222 31.8809 179.4569 135 Q 3.9531 8.5488 118.9501 58.9511 28.5671 178.6859 136 A 3.8714 8.0284 121.7603 54.9126 18.3192 179.1354 137 D 4.2849 8.1769 116.4266 57.5743 41.2699 178.4340 138 A 4.0658 7.9028 120.7497 55.1101 18.2676 179.6676 139 L 4.0213 7.9924 117.5585 58.0917 41.7254 179.4174 140 C 4.1350 8.3916 116.6762 62.7787 28.2240 175.8888 141 A 4.4207 8.3925 122.4163 55.6179 18.0350 179.0681 142 Y 4.1745 8.5388 118.1824 61.0252 38.9523 178.1628 143 L 3.6668 8.7932 120.9024 57.5859 41.5852 179.5249 144 K 3.8317 8.0670 119.6405 59.3337 32.0122 178.7365 145 C 3.7690 7.5835 116.5682 62.6893 28.0853 175.8971 146 L 3.8182 7.4397 120.3800 57.9620 41.0536 179.5450 147 E 3.9596 8.0535 118.2611 59.4472 29.2833 179.3669 148 E 3.6909 7.7967 118.5926 58.9644 29.3344 179.2779 149 L 4.0079 8.0777 119.2618 57.8815 41.5354 179.5228 150 A 4.0076 8.4101 119.1181 54.3008 18.2027 178.2906 151 A 4.5456 7.4083 118.1584 51.5734 19.5001 177.1286 152 G 3.6468 7.9729 106.8899 48.0588 0.0000 174.2965 153 N 4.7407 8.0817 119.6319 51.5924 39.1502 174.1638 154 N 4.6527 8.5445 123.4262 54.5028 39.2410 177.4166 155 E 3.9912 8.1437 117.5488 59.1428 29.8374 177.7366 156 F 4.2720 8.3107 115.9828 57.5098 39.4614 177.3850 157 L 3.9762 8.0808 123.3555 57.7774 41.3803 179.0311 158 L 3.9615 8.0325 118.9916 59.2642 40.1138 179.1383 159 A 4.1270 7.9579 121.2462 54.4329 18.3888 179.3442 160 K 4.0960 8.1494 118.2537 60.0115 32.1740 179.2464 161 T 4.2131 8.2287 117.5507 66.1992 68.3396 176.9265 162 R 4.0411 8.1549 118.0514 59.0982 29.5267 178.6239 163 L 4.0411 8.6566 120.1448 57.9130 41.5735 179.3937 164 E 3.7889 8.3001 118.3310 59.0517 29.3319 179.1560 165 A 4.0841 7.7808 120.8420 55.4311 18.3828 179.7278 166 T 3.8071 8.1350 114.4053 66.7905 68.3041 176.8099 167 L 3.9120 7.8545 119.7876 57.7551 41.9294 179.0826 168 E 4.0497 8.0398 118.0178 59.4595 29.2201 179.1028 169 A 4.0466 7.8699 119.3661 54.8562 18.3879 178.9469 170 R 4.3951 7.6534 113.5368 54.8382 30.8347 176.3405 171 R 3.7827 6.9808 119.0185 57.0117 30.4059 175.5336 172 S 4.6006 8.0572 117.2211 57.0110 66.0702 174.2066 173 Q 3.8359 8.4319 120.0937 58.9324 28.5785 178.7697 174 E 4.5336 7.3801 115.0738 56.8722 29.3751 178.6348 *176 D 4.5650 8.2577 120.1368 55.6478 42.9971 176.5499 177 Y 4.1188 8.3486 119.8066 60.8102 39.0586 178.7461 178 F 4.5623 8.6733 118.7967 59.0704 39.0352 176.0267 *180 E 4.2254 8.2182 121.1283 55.4038 31.0442 177.0993 181 I 3.7320 7.5635 117.9079 62.6886 37.4154 177.2294 182 F 4.7817 8.0271 117.5476 58.2921 40.1230 178.2215 183 V 4.2722 7.7304 117.6755 65.2199 31.5238 175.9053 184 P 4.3667 0.0000 0.0000 65.7577 30.8792 178.5294 185 S 4.2769 7.5208 113.4040 60.8829 62.7248 175.6162 186 F 4.3480 8.0512 117.8754 57.5084 38.9388 175.3512 187 H 4.5710 8.5745 122.1460 56.2231 28.9630 174.6221 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 K 8.31 4.33 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 3 Q 7.82 4.08 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 4 S 9.29 4.69 0.00 3.81 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 5 H 8.42 4.94 0.00 3.33 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.22 4.12 0.00 2.96 2.97 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 0.00 0.00 0.00 7 F 8.27 3.65 0.00 3.20 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 8 A 8.17 4.01 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 9 H 8.42 4.17 0.00 3.28 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.65 3.87 0.00 1.59 1.59 0.48 -0.51 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 11 S 8.08 4.29 0.00 4.02 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 12 R 8.09 4.39 0.00 1.96 1.97 0.00 3.05 0.00 0.00 3.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 13 L 7.98 4.02 0.00 1.77 1.70 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.98 4.28 0.00 1.87 1.95 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.47 7.81 15 L 7.69 4.16 0.00 1.91 1.77 0.92 0.64 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 16 I 7.61 4.28 1.88 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 1.23 1.08 0.91 0.00 0.00 17 N 8.77 5.35 0.00 2.63 2.79 0.00 0.00 7.11 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 18 R 9.08 4.30 0.00 1.92 1.77 0.00 3.25 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 19 W 7.84 3.61 0.00 3.68 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 20 P 0.00 4.54 0.00 2.19 2.20 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 21 L 7.63 4.26 0.00 1.65 1.71 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *23 R 7.92 4.10 0.00 1.83 1.94 0.00 3.22 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 24 N 8.58 5.10 0.00 2.81 2.81 0.00 0.00 7.07 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 25 V 9.07 3.69 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 0.66 0.00 0.00 0.88 0.00 0.00 26 R 7.83 4.56 0.00 1.75 1.69 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 27 T 8.64 4.14 4.28 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 1.31 0.00 0.00 28 E 9.00 4.94 0.00 2.12 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 2.42 2.38 0.00 29 N 8.88 5.24 0.00 3.12 3.10 0.00 0.00 6.23 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 30 V 8.51 3.73 2.27 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 1.01 0.00 0.00 1.06 0.00 0.00 31 S 8.10 4.08 0.00 3.97 4.03 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 32 E 8.67 3.97 0.00 2.26 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 2.36 2.50 0.00 33 H 8.33 4.20 0.00 3.34 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.21 4.06 0.00 4.12 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 35 L 7.77 3.92 0.00 1.63 1.71 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.70 4.11 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 37 V 8.06 3.72 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 1.02 0.00 0.00 0.81 0.00 0.00 38 A 7.95 4.22 1.44 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 0.00 0.00 *40 V 7.77 3.86 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 0.43 0.00 0.00 0.94 0.00 0.00 41 A 8.24 3.93 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 42 H 8.33 4.05 0.00 3.21 3.40 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.06 4.02 1.53 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 44 L 8.41 4.00 0.00 1.78 1.74 0.80 0.57 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 45 A 8.11 3.94 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 46 A 8.00 3.88 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 47 I 8.03 3.48 2.16 0.00 0.00 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 1.19 0.82 0.85 0.00 0.00 48 K 8.32 4.20 0.00 1.98 2.00 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.60 7.81 49 N 8.11 4.53 0.00 2.86 2.84 0.00 0.00 7.03 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 50 R 8.28 3.98 0.00 1.66 1.95 0.00 3.19 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 51 K 7.94 4.15 0.00 0.89 0.74 0.00 1.34 0.00 0.00 0.95 0.00 0.00 3.09 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.00 1.03 7.81 52 F 7.39 4.96 0.00 3.10 3.07 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 0.00 0.00 0.00 53 G 8.72 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 54 G 8.03 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.21 5.01 0.00 2.63 2.70 0.00 0.00 6.96 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 56 V 8.47 4.21 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 0.74 0.00 0.00 0.97 0.00 0.00 57 N 8.41 4.57 0.00 2.74 2.70 0.00 0.00 7.07 8.37 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 58 A 8.27 4.08 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 59 E 8.23 3.95 0.00 2.22 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 2.40 2.43 0.00 60 R 8.14 3.87 0.00 2.01 2.10 0.00 3.08 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 61 I 7.76 3.54 2.02 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 1.68 0.65 0.87 0.00 0.00 62 A 7.67 3.99 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 63 L 7.51 4.14 0.00 1.67 1.93 1.13 1.25 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 64 L 7.92 4.19 0.00 1.53 1.13 0.22 0.77 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 65 A 8.07 4.24 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 *67 Y 7.86 4.56 0.00 3.22 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 68 H 8.26 4.40 0.00 3.43 3.54 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.01 4.77 0.00 2.76 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 70 A 8.21 4.01 1.55 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 0.00 0.00 71 S 8.27 4.17 0.00 4.03 4.16 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 72 E 8.11 4.23 0.00 2.15 2.05 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 2.45 2.33 0.00 73 V 7.52 3.75 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 0.71 0.00 0.00 1.01 0.00 0.00 74 L 8.08 4.46 0.00 1.65 1.70 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.84 4.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 76 G 8.15 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.30 4.73 0.00 2.60 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.88 3.63 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 0.84 0.00 0.00 1.02 0.00 0.00 106 D 8.39 4.51 0.00 2.77 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 *108 V 7.19 3.43 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.51 0.00 0.00 109 P 0.00 4.31 0.00 2.20 1.95 0.00 3.52 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 2.11 2.07 0.00 110 E 8.93 3.91 0.00 2.01 1.94 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 2.37 2.36 0.00 111 E 8.14 4.16 0.00 2.17 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 2.29 2.42 0.00 112 L 7.80 4.70 0.00 1.86 1.90 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.80 3.94 0.00 2.07 1.90 0.00 3.06 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 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2.08 1.89 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.50 7.81 131 S 8.19 4.09 0.00 4.01 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 0.00 132 L 8.16 3.96 0.00 1.68 1.68 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.88 3.58 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 0.90 0.00 0.00 0.84 0.00 0.00 134 K 8.28 4.12 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.60 7.81 135 Q 8.55 3.95 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 136 A 8.03 3.87 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 0.00 137 D 8.18 4.28 0.00 2.98 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 0.00 138 A 7.90 4.07 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 0.00 139 L 7.99 4.02 0.00 1.79 1.68 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 C 8.39 4.13 0.00 3.24 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 0.00 141 A 8.39 4.42 1.68 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 0.00 0.00 142 Y 8.54 4.17 0.00 3.11 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 0.00 143 L 8.79 3.67 0.00 1.63 1.24 0.51 0.15 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 0.00 144 K 8.07 3.83 0.00 1.89 2.00 0.00 1.04 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.95 0.72 7.81 145 C 7.58 3.77 0.00 3.06 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 0.00 146 L 7.44 3.82 0.00 1.67 1.63 0.74 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.05 3.96 0.00 2.01 1.94 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 2.45 2.63 0.00 148 E 7.80 3.69 0.00 1.32 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 1.61 1.47 0.00 149 L 8.08 4.01 0.00 1.82 1.67 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.41 4.01 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 0.00 151 A 7.41 4.55 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 0.00 152 G 7.97 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 0.00 153 N 8.08 4.74 0.00 2.61 2.77 0.00 0.00 7.07 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.54 4.65 0.00 2.81 2.85 0.00 0.00 7.06 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 0.00 155 E 8.14 3.99 0.00 2.17 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 2.36 2.45 0.00 156 F 8.31 4.27 0.00 3.00 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 0.00 157 L 8.08 3.98 0.00 1.88 1.73 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.03 3.96 0.00 1.88 1.95 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.96 4.13 1.55 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 0.00 0.00 160 K 8.15 4.10 0.00 2.06 2.05 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.69 1.44 7.81 161 T 8.23 4.21 4.40 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 1.24 0.00 0.00 162 R 8.15 4.04 0.00 2.09 2.22 0.00 2.81 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 163 L 8.66 4.04 0.00 2.14 2.00 1.32 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.30 3.79 0.00 2.28 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 2.22 2.66 0.00 165 A 7.78 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.14 3.81 4.40 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 1.22 0.00 0.00 167 L 7.85 3.91 0.00 1.59 1.58 0.22 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.04 4.05 0.00 2.13 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 2.45 2.45 0.00 169 A 7.87 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.65 4.40 0.00 1.75 1.93 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 171 R 6.98 3.78 0.00 1.94 1.86 0.00 3.25 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 172 S 8.06 4.60 0.00 4.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 8.43 3.84 0.00 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.27 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 174 E 7.38 4.53 0.00 2.26 2.30 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 2.32 2.62 0.00 *176 D 8.26 4.56 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 8.35 4.12 0.00 3.30 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 0.00 178 F 8.67 4.56 0.00 3.51 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *180 E 8.22 4.23 0.00 2.02 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 2.10 2.24 0.00 181 I 7.56 3.73 0.98 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.01 0.00 0.00 182 F 8.03 4.78 0.00 2.15 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 0.00 183 V 7.73 4.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.21 0.00 0.00 184 P 0.00 4.37 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 185 S 7.52 4.28 0.00 4.02 3.69 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 0.00 186 F 8.05 4.35 0.00 3.05 3.07 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 0.00 0.00 0.00 187 H 8.57 4.57 0.00 3.28 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.