NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 P 4.3790 0.0000 0.0000 62.0444 32.3377 178.4496 16 A 4.6389 8.8834 123.0219 48.1099 22.8060 176.0775 17 N 4.5798 9.2683 119.1063 52.0463 40.3106 172.6564 18 P 4.3023 0.0000 0.0000 66.2922 31.4745 178.6873 19 N 4.4238 8.2765 114.3120 56.2852 38.5479 176.9169 20 E 3.9267 8.7889 120.6299 59.1732 29.6330 178.7396 21 A 3.8224 8.2452 120.8038 55.2674 18.3041 178.6836 22 Y 4.3566 8.1029 116.8298 61.3761 38.9198 178.5264 23 R 3.8947 7.8584 117.2537 59.2303 30.3395 178.3467 24 H 4.2318 8.0347 118.0556 59.3710 29.8851 178.5324 25 Y 4.4618 7.6328 116.4154 58.3395 37.4880 178.4332 *27 K 3.8895 8.0037 120.9288 56.3760 34.4544 177.9424 28 K 3.9921 8.1339 119.3610 59.9377 31.7601 178.7094 29 L 4.0893 7.7517 117.5473 57.4904 41.5504 179.1088 30 S 4.2369 7.8499 112.9428 60.1545 63.6507 174.5904 31 Y 4.6539 7.8156 120.2590 58.6906 38.6300 174.7096 32 E 5.4058 7.9848 115.4001 54.7623 33.1173 174.8931 33 T 4.8802 8.7271 113.8642 60.5938 71.9069 172.1368 34 D 5.0066 8.4190 124.5485 51.5349 42.6390 177.1608 35 I 3.8807 8.5676 118.3426 64.5505 36.9037 178.1815 36 A 3.9654 8.0365 120.9619 55.4180 18.3149 178.9878 37 D 4.3389 8.0752 116.7401 57.5689 41.0094 179.1630 38 L 3.9924 7.9190 120.1981 58.1205 42.1933 178.7613 39 S 4.4118 8.6179 113.5049 61.7037 62.2367 176.2529 40 I 3.7348 8.0243 122.4365 64.4157 36.8309 178.0794 41 D 4.4647 8.0603 119.5001 57.6093 40.5016 178.8974 42 I 3.7392 7.6034 118.9526 64.1218 37.1685 178.2059 43 K 4.2076 7.8231 118.2037 59.6389 32.9799 178.8682 44 K 4.0021 8.6590 121.0693 57.6116 32.7127 175.3468 45 G 3.9543 7.7056 110.4201 45.5429 0.0000 173.8923 *48 G 3.9427 8.1564 108.7210 46.1742 0.0000 170.5345 49 I 4.9687 7.5069 112.0088 59.1839 42.1249 177.1263 50 I 4.3884 8.4115 121.9227 59.2507 40.0962 175.0233 51 V 4.1741 8.2683 128.2324 62.5856 32.5606 174.5786 52 V 4.6503 8.7992 128.9299 61.0799 34.1972 173.6978 53 D 3.6865 8.8434 128.2706 52.8122 41.9930 176.8082 54 V 4.0708 7.6547 125.7300 63.5997 32.7124 176.2760 55 R 4.2457 7.5702 118.9658 55.8993 30.7630 176.3527 56 D 4.5689 8.4731 118.1568 54.1181 42.7068 177.4239 57 A 3.9823 8.5540 123.2859 55.5386 18.4499 179.8673 58 E 3.9142 8.2186 116.9584 59.3869 29.7081 178.6843 59 A 4.1692 8.1109 120.4005 55.4650 18.2848 178.8455 60 Y 3.8924 7.8327 117.1218 60.5884 38.9264 177.7264 61 K 4.1955 8.1431 119.8502 59.1549 32.3986 178.4403 62 E 4.1052 8.3143 119.1697 57.8581 29.4529 176.3316 63 C 5.0620 6.8381 111.4107 58.4646 32.9569 172.8839 64 H 4.6348 7.3834 114.4070 54.5573 31.5816 172.6550 65 I 3.5547 8.2850 120.3698 60.2847 37.8100 174.5191 66 P 5.1037 0.0000 0.0000 63.9018 31.5764 176.3611 67 T 3.3653 8.9100 110.4083 62.1163 67.2944 171.2362 68 A 4.8117 7.6766 122.9966 51.5672 20.0934 177.6399 69 I 4.3188 8.7087 114.7954 59.5457 40.7191 174.3528 70 S 4.3147 7.7583 117.8736 56.8718 63.4321 174.3459 71 I 4.4286 8.3228 128.1987 58.7458 39.5628 171.6715 72 P 4.3322 0.0000 0.0000 62.8815 31.6863 175.9200 73 G 3.9142 8.9675 113.8024 49.2996 0.0000 175.8221 74 N 4.8504 7.8746 115.6885 52.3549 37.0553 175.2318 75 K 4.4140 8.0243 116.1659 56.5812 33.6976 175.6453 76 I 3.8577 7.5791 119.0451 60.8598 37.0054 174.5314 77 N 4.7604 7.8037 122.6112 52.1232 40.0777 174.6468 78 E 4.2270 8.5692 115.3677 58.5865 29.8911 178.9771 79 D 4.4580 8.0523 118.1230 56.9382 41.0750 177.1866 80 T 4.3072 7.7794 113.1453 64.0224 68.9280 175.0831 81 T 4.6150 7.4275 111.0022 60.9235 69.3235 176.1201 82 K 4.0851 7.7626 122.2585 60.1493 32.6755 178.2782 83 R 4.2283 7.8995 115.8687 56.7545 30.5572 176.1219 84 L 4.4207 7.3617 119.3281 53.5504 42.7942 176.3368 85 S 4.3530 8.6064 118.1518 57.9514 62.7306 174.4353 86 K 4.1354 8.5912 125.6693 57.3362 31.7066 177.5020 87 E 4.2004 8.0323 119.3749 57.4799 29.8837 176.5487 88 K 4.6497 7.7026 117.6922 54.8849 34.8200 175.9927 89 V 4.3851 7.7101 121.2092 61.6237 33.0780 175.1048 90 I 4.2617 8.4023 129.5760 61.1588 38.5763 175.2758 91 I 5.5496 8.7170 126.8940 58.8478 39.7619 175.0210 92 T 4.9074 8.5260 117.6894 60.5174 71.3193 173.2870 93 Y 4.9888 7.7939 118.6087 56.4128 41.0883 173.8553 94 C 4.9411 8.5926 123.2232 56.2070 46.6584 173.7918 95 W 4.1649 9.2443 113.9083 59.1161 29.5428 177.2174 96 G 4.5702 7.6773 106.3535 44.6273 0.0000 171.2029 97 P 4.1254 0.0000 0.0000 65.2948 31.3248 177.2274 98 A 4.2557 7.9406 118.3976 52.8055 18.9015 177.3371 99 C 4.9130 7.8763 115.8387 55.2577 43.5671 173.4957 100 N 4.6767 8.4459 119.8820 53.7203 39.4875 177.7308 101 G 3.9780 7.9840 107.2789 47.7551 0.0000 175.2312 102 A 4.0091 8.0856 123.4810 55.0097 18.2077 179.7238 103 T 3.8184 7.7785 112.0489 66.6625 68.9394 176.5945 104 K 4.0446 8.4383 120.4947 59.5665 32.1753 179.0310 105 A 3.9285 8.5320 120.9190 55.3282 18.2010 179.3174 106 A 4.1145 8.4745 119.2110 55.4114 18.3331 179.7643 107 A 3.9472 7.9397 119.0338 55.3969 18.3786 180.0561 108 K 3.8659 7.9923 116.4789 59.4504 32.0883 179.5814 109 F 4.1403 8.3502 117.9306 60.5795 38.9617 177.6717 110 A 4.4994 8.4464 121.9457 54.7125 17.9047 179.4106 111 Q 4.0792 8.1971 117.4104 58.5675 29.1565 177.1548 112 L 4.5999 7.5396 118.2920 54.2701 41.8116 177.1368 113 G 3.8461 7.8287 106.3304 45.8148 0.0000 173.6596 114 F 4.5638 8.2985 117.9889 55.9336 41.5166 175.5735 115 R 4.6859 8.5295 122.9785 55.5567 28.5757 175.7224 116 V 4.5008 7.8855 122.2669 60.8312 33.9030 176.2512 117 K 4.7420 8.6208 122.3119 55.5449 35.9448 174.4986 118 E 4.7623 8.9511 126.0209 55.7021 31.6621 175.6060 119 L 4.6814 8.9185 125.5715 53.5685 42.9654 175.4797 120 I 3.7639 7.9802 121.8904 61.8751 37.6434 175.1324 121 G 3.1424 9.8684 116.8668 44.2458 0.0000 174.9744 122 G 4.3187 7.7842 107.2744 45.1176 0.0000 173.3744 123 I 3.6901 8.0209 118.3764 64.5079 36.9936 177.7063 124 E 4.0899 8.6609 120.3243 59.9153 29.5707 178.7327 125 Y 4.4199 8.1369 116.0845 60.6712 37.9713 177.8327 126 W 4.1399 8.3588 129.3209 60.5503 30.5960 177.8974 127 R 3.9705 8.3851 116.9417 59.6503 29.6909 178.7254 128 K 3.9746 7.4809 114.9134 59.3026 32.0047 178.5840 129 E 4.1079 7.2883 116.3071 59.5523 30.3719 176.0893 130 N 4.9898 7.6205 116.9903 51.5783 41.2346 172.4301 131 G 4.3828 8.2776 109.2627 44.8692 0.0000 171.2887 132 L 4.7387 8.0739 118.2460 55.0172 43.5416 176.2175 133 E 4.4101 8.0983 118.5827 54.3974 28.1436 176.5510 134 H 4.8085 8.3395 118.1658 55.4030 28.7178 175.4789 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 15 P 0.00 4.38 0.00 2.09 1.66 0.00 3.61 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 1.96 2.11 0.00 16 A 8.88 4.64 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 17 N 9.27 4.58 0.00 3.02 2.98 0.00 0.00 5.98 7.76 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 18 P 0.00 4.30 0.00 2.20 2.19 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 19 N 8.28 4.42 0.00 3.03 2.92 0.00 0.00 6.68 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 20 E 8.79 3.93 0.00 2.05 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 0.00 2.28 2.33 0.00 21 A 8.25 3.82 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 0.00 0.00 0.00 0.00 0.00 22 Y 8.10 4.36 0.00 3.07 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 23 R 7.86 3.89 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 24 H 8.03 4.23 0.00 3.17 3.10 0.00 5.79 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 25 Y 7.63 4.46 0.00 3.03 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 *27 K 8.00 3.89 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 28 K 8.13 3.99 0.00 1.83 2.02 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.56 7.81 29 L 7.75 4.09 0.00 1.63 1.70 0.95 0.90 0.00 0.00 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 30 S 7.85 4.24 0.00 3.78 3.74 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 31 Y 7.82 4.65 0.00 3.19 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 32 E 7.98 5.41 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 2.51 2.33 0.00 33 T 8.73 4.88 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 1.31 0.00 0.00 34 D 8.42 5.01 0.00 2.80 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 35 I 8.57 3.88 1.89 0.00 0.00 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 1.74 1.08 0.84 0.00 0.00 36 A 8.04 3.97 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 37 D 8.08 4.34 0.00 2.87 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 38 L 7.92 3.99 0.00 1.92 1.99 0.85 0.65 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 39 S 8.62 4.41 0.00 4.01 4.07 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 40 I 8.02 3.73 2.03 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 1.83 1.03 0.93 0.00 0.00 41 D 8.06 4.46 0.00 2.91 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 42 I 7.60 3.74 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 0.95 0.00 0.00 43 K 7.82 4.21 0.00 1.95 1.97 0.00 1.51 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.81 7.81 44 K 8.66 4.00 0.00 1.77 1.93 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 45 G 7.71 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 *48 G 8.16 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 0.00 0.00 0.00 49 I 7.51 4.97 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.94 0.00 0.00 50 I 8.41 4.39 1.76 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.83 0.00 0.00 51 V 8.27 4.17 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 1.04 0.00 0.00 0.88 0.00 0.00 52 V 8.80 4.65 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 0.84 0.00 0.00 0.71 0.00 0.00 53 D 8.84 3.69 0.00 2.64 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.07 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 0.98 0.00 0.00 0.86 0.00 0.00 55 R 7.57 4.25 0.00 1.65 1.61 0.00 2.77 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 56 D 8.47 4.57 0.00 2.80 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 57 A 8.55 3.98 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 58 E 8.22 3.91 0.00 2.14 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 2.43 2.68 0.00 59 A 8.11 4.17 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 60 Y 7.83 3.89 0.00 2.92 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 61 K 8.14 4.20 0.00 2.11 1.88 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.58 7.81 62 E 8.31 4.11 0.00 2.29 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 2.34 2.49 0.00 63 C 6.84 5.06 0.00 2.97 2.85 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 64 H 7.38 4.63 0.00 3.16 2.98 0.00 5.66 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.29 3.55 1.28 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 -0.30 0.07 -0.44 0.00 0.00 66 P 0.00 5.10 0.00 2.06 2.04 0.00 3.59 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 67 T 8.91 3.37 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 1.22 0.00 0.00 68 A 7.68 4.81 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 69 I 8.71 4.32 1.76 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 1.24 0.89 0.88 0.00 0.00 70 S 7.76 4.31 0.00 2.72 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.32 4.43 1.83 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 1.13 0.82 0.82 0.00 0.00 72 P 0.00 4.33 0.00 1.86 1.96 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.16 0.00 73 G 8.97 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 74 N 7.87 4.85 0.00 2.79 2.89 0.00 0.00 5.69 7.13 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 75 K 8.02 4.41 0.00 1.60 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.58 3.86 1.55 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.02 0.00 0.00 77 N 7.80 4.76 0.00 2.60 2.84 0.00 0.00 6.58 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.57 4.23 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 79 D 8.05 4.46 0.00 2.64 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 80 T 7.78 4.31 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 1.14 0.00 0.00 81 T 7.43 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 1.06 0.00 0.00 82 K 7.76 4.09 0.00 2.03 2.19 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.43 7.81 83 R 7.90 4.23 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 84 L 7.36 4.42 0.00 1.93 1.72 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.61 4.35 0.00 3.89 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 86 K 8.59 4.14 0.00 1.59 1.57 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.84 7.81 87 E 8.03 4.20 0.00 1.98 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 2.30 2.41 0.00 88 K 7.70 4.65 0.00 1.81 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.39 7.81 89 V 7.71 4.39 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 1.05 0.00 0.00 0.94 0.00 0.00 90 I 8.40 4.26 1.46 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 0.15 0.13 -0.16 0.00 0.00 91 I 8.72 5.55 1.84 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 0.89 1.16 0.97 0.00 0.00 92 T 8.53 4.91 4.23 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 1.19 0.00 0.00 93 Y 7.79 4.99 0.00 2.97 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 94 C 8.59 4.94 0.00 3.08 2.95 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 95 W 9.24 4.16 0.00 3.39 3.25 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 96 G 7.68 4.57 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 0.00 97 P 0.00 4.13 0.00 2.07 2.12 0.00 3.72 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.45 0.00 98 A 7.94 4.26 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 99 C 7.88 4.91 0.00 3.09 3.25 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 0.00 100 N 8.45 4.68 0.00 2.80 2.82 0.00 0.00 6.74 7.60 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 0.00 101 G 7.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.09 4.01 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 0.00 103 T 7.78 3.82 4.37 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 1.20 0.00 0.00 104 K 8.44 4.04 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.58 7.81 105 A 8.53 3.93 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 0.00 106 A 8.47 4.11 1.48 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 0.00 107 A 7.94 3.95 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 0.00 108 K 7.99 3.87 0.00 1.68 1.65 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.64 7.81 109 F 8.35 4.14 0.00 3.24 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 0.00 110 A 8.45 4.50 1.47 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 0.00 0.00 111 Q 8.20 4.08 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 L 7.54 4.60 0.00 2.15 2.02 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.83 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 0.00 114 F 8.30 4.56 0.00 3.41 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 0.00 115 R 8.53 4.69 0.00 1.98 1.86 0.00 3.24 0.00 0.00 3.40 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 116 V 7.89 4.50 2.19 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 0.90 0.00 0.00 0.97 0.00 0.00 117 K 8.62 4.74 0.00 1.85 1.66 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.58 7.81 118 E 8.95 4.76 0.00 2.16 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 0.00 2.45 2.30 0.00 119 L 8.92 4.68 0.00 1.82 1.83 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.98 3.76 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.96 0.00 0.00 121 G 9.87 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.02 3.69 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 1.04 0.00 0.00 124 E 8.66 4.09 0.00 2.30 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 0.00 2.56 2.53 0.00 125 Y 8.14 4.42 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.14 0.00 3.44 3.20 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 0.00 127 R 8.39 3.97 0.00 2.03 2.07 0.00 3.34 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 128 K 7.48 3.97 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.68 7.81 129 E 7.29 4.11 0.00 1.52 1.72 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 2.40 2.30 0.00 130 N 7.62 4.99 0.00 1.81 2.42 0.00 0.00 6.96 7.35 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 0.00 131 G 8.28 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.07 4.74 0.00 1.69 1.79 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.10 4.41 0.00 1.92 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 2.16 2.08 0.00 134 H 8.34 4.81 0.00 3.10 3.22 0.00 5.80 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.