NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3028 8.3449 119.6853 55.7582 30.1920 174.3447 3 R 4.2966 8.2235 119.4194 54.5929 31.4818 171.0990 4 V 4.4209 8.7312 120.6079 61.9397 35.4846 173.1488 5 T 4.5844 8.5095 123.3643 61.6118 70.6396 173.4915 6 I 4.5514 8.2193 118.9650 59.1486 40.3885 174.7430 7 T 4.5483 8.3201 117.6219 61.8129 70.2909 173.8814 8 L 4.8428 8.1515 125.4967 52.2269 45.2248 176.4551 9 D 4.5324 8.3031 119.4661 53.9571 43.1903 176.6594 10 D 4.3746 8.6896 125.2721 57.8873 40.9320 178.7050 11 D 4.3669 8.3077 118.3606 57.5521 40.8965 178.3457 12 L 3.8698 7.9989 119.8713 58.4229 41.9422 178.4379 13 L 3.9161 8.0735 119.8440 58.4105 41.9782 178.8100 14 E 3.9090 8.3756 118.1302 59.8146 29.3531 179.1416 15 T 3.9021 8.2925 116.0973 66.8688 68.6132 176.2101 16 L 3.9953 8.4566 121.9853 58.2399 42.1159 178.5646 17 D 4.3416 8.6481 119.3182 57.3520 40.8200 178.6183 18 S 4.1253 8.0912 114.6029 61.8611 62.5695 176.4531 19 L 4.1253 7.7101 124.3710 57.5240 41.7180 179.0446 20 S 4.4832 8.0649 115.2000 61.1889 62.7941 176.3268 21 Q 4.1640 8.3972 122.9816 59.1362 28.7110 177.9833 22 R 4.0974 8.3565 117.5628 57.9593 30.1326 177.9403 23 R 4.3518 7.2919 116.7503 55.4288 30.5392 176.8327 24 G 3.8310 7.8916 107.2840 45.4828 0.0000 172.9324 25 Y 4.7551 7.5328 117.9301 57.0855 38.4880 175.3532 26 N 4.7430 8.9274 122.0315 53.2127 38.9952 174.8367 27 N 4.9395 7.7978 116.3675 50.0566 39.9312 174.1384 28 R 3.7657 8.7814 122.8676 60.0549 30.0676 178.4066 29 S 3.9819 8.0563 113.9194 61.8413 62.7974 176.5970 30 E 3.7015 8.0965 121.1438 59.1368 29.3408 178.1477 31 A 2.6291 7.3346 119.7616 55.4282 18.2493 179.3835 32 I 3.5909 7.9448 117.2356 64.3655 37.2803 178.6247 33 R 3.8400 7.7046 119.3330 59.7360 29.9366 178.3361 34 D 4.3996 8.3964 118.9102 57.1746 40.8637 178.9624 35 I 3.7712 7.4806 120.3181 64.3714 37.1858 177.8949 36 L 3.9220 8.1500 120.0936 57.9332 41.2618 179.2303 37 R 3.9676 7.8037 117.6255 59.6892 30.3308 177.8279 38 S 3.9470 8.4297 110.8828 60.4373 61.8702 175.5698 39 A 3.9614 6.5473 121.9073 55.6200 18.7647 179.6874 40 L 3.8344 8.4817 117.1786 57.5549 42.0380 178.5593 41 A 4.3810 8.4049 122.7290 54.7358 20.4768 179.3714 42 Q 4.2561 7.2944 114.5871 54.6165 26.5956 176.2058 43 E 4.4183 7.4798 121.2980 56.4016 32.2442 175.7806 44 A 4.5660 7.6564 114.1912 52.4234 20.3558 176.0582 45 T 4.2689 7.9054 117.9531 62.5558 70.0066 174.4082 46 Q 4.4361 8.4275 125.0144 55.0065 29.4828 176.1309 47 Q 4.3107 8.4333 121.0282 53.8090 28.4894 170.6603 48 H 4.4277 8.1044 122.6576 54.5166 28.3738 173.6561 49 G 4.1520 8.1039 114.4594 46.5731 0.0000 172.1762 50 T 4.0697 7.5157 120.7501 63.2317 69.0383 174.9619 51 Q 4.9718 8.1983 123.2432 53.0991 32.1463 173.5215 52 G 4.3110 7.4683 110.5091 46.0855 0.0000 173.1673 53 F 5.6368 8.4562 122.0447 55.7092 43.4266 173.5493 54 A 5.0658 9.3617 121.8240 50.7088 22.9897 175.4719 55 V 4.6859 9.1617 119.7771 60.8569 33.0408 172.8410 56 L 4.9974 9.0147 128.3005 54.1082 42.5207 175.1005 57 S 5.3944 8.5807 121.8081 56.8752 66.3191 172.6587 58 Y 4.6406 7.7278 117.1807 56.8587 41.3249 172.8221 59 V 5.0194 7.7098 121.0374 61.9197 34.7931 173.8941 60 Y 4.7755 8.0593 119.4488 56.5016 41.3791 172.5760 61 E 5.0514 8.3798 121.5023 55.2150 30.4751 177.4970 62 H 4.5253 8.9049 120.5909 57.7260 29.3805 177.4805 63 E 4.0266 7.4434 119.8396 58.8882 29.8391 177.7160 64 K 3.6567 8.3532 118.2522 58.8316 32.8149 177.0205 65 R 3.7147 9.5127 117.4601 61.2384 28.5373 177.0748 66 D 4.2763 7.2538 126.5678 56.1157 38.5852 175.9791 67 L 3.8960 8.3443 128.7411 58.1689 42.2372 177.4167 68 A 4.2397 7.7520 119.3636 55.6864 18.4802 179.5785 69 S 4.0952 8.1354 110.7073 61.3566 62.3300 176.2514 70 R 3.9046 8.0275 121.4654 59.5135 30.0125 178.1870 71 I 3.4780 8.3684 120.2666 64.6047 36.9784 178.4222 72 V 3.6247 7.5335 117.9678 66.1397 31.3764 177.9223 73 S 4.2507 7.6067 113.9711 62.2889 62.5508 176.7270 74 T 3.8618 7.8667 116.9104 67.0749 68.4081 176.2211 75 Q 4.4916 8.1103 119.3298 59.5676 28.7793 178.2299 76 H 4.0948 8.8853 116.1207 58.9904 28.7201 176.9532 77 H 4.3298 8.5992 120.0107 58.5381 30.2208 176.3961 78 H 5.0411 8.6447 118.6737 55.1695 29.6299 175.8309 79 H 4.2974 8.3467 116.0423 57.7023 28.5404 175.1255 80 D 4.7533 7.7429 119.2653 54.1319 40.8474 176.4079 81 L 4.6533 8.2342 120.8655 54.0035 43.6212 175.5005 82 S 4.7752 7.7731 112.6630 56.9027 63.6771 173.4246 83 V 3.8647 8.7409 128.5538 64.9582 31.7510 175.5021 84 A 4.5646 7.5904 119.5786 52.0216 22.2445 174.6168 85 T 5.0248 8.4945 108.3286 60.3058 72.0751 172.9672 86 L 4.6545 9.3530 127.2562 53.7214 44.0574 174.5388 87 H 5.1589 8.8100 125.9102 54.8596 32.3749 174.6834 88 V 4.1371 8.1713 123.2204 61.6232 34.0704 173.8125 89 H 4.5033 8.5383 126.1381 56.0959 28.1285 175.6735 90 I 4.0902 7.8635 117.3164 60.0714 37.8817 175.2398 91 N 4.1363 7.4738 117.6855 53.2554 38.6531 173.8164 92 H 4.1972 8.8730 114.8802 58.9263 28.9621 176.2795 93 D 4.7320 8.3875 117.6575 55.7866 42.9865 176.8531 94 D 5.0047 9.9641 118.0148 53.6061 43.1187 175.7572 95 C 4.8653 8.5353 117.3326 57.9803 33.2225 173.2141 96 L 4.8918 8.2478 123.7308 53.6396 43.7319 175.2186 97 E 4.7870 8.4101 126.0919 54.9943 32.6486 175.8159 98 I 4.8661 8.1550 121.2981 60.1874 41.6005 173.8945 99 A 5.1579 9.5282 129.8802 50.0689 21.9008 174.9486 100 V 4.6770 8.8183 122.9451 61.5545 33.3006 174.8519 101 L 5.2772 9.1995 127.4990 53.0286 45.4476 175.4292 102 K 5.3642 8.4643 121.9632 53.7847 35.1536 176.2068 103 G 3.6948 8.3153 114.7256 45.1770 0.0000 170.7430 104 D 4.4765 8.0485 122.8896 53.9332 42.0402 176.3628 *106 G 3.7524 8.2738 102.5978 45.5536 0.0000 174.2287 107 D 4.4283 7.9832 119.3844 57.2843 40.8922 178.8103 108 V 3.4466 7.8770 117.5639 66.3158 31.0870 177.7228 109 Q 3.9770 7.8719 117.5580 60.4145 29.0304 178.7516 110 H 3.9977 8.3638 115.9044 58.4028 28.5820 177.4606 111 F 3.9314 8.9018 122.1973 61.4932 39.8010 177.8478 112 A 4.0004 8.9440 120.7301 55.6727 18.0979 179.5123 113 D 4.2994 8.3923 117.2932 57.2257 40.6510 178.2142 114 D 4.4656 7.5980 117.3307 56.2867 40.9423 176.5644 115 V 3.8611 7.0783 116.3842 63.3141 33.2764 176.8512 116 I 3.4845 7.7335 120.8795 64.5858 37.3663 177.6900 117 A 4.0487 7.5341 120.1640 54.5729 18.6557 177.9252 118 Q 3.6450 7.2256 114.0142 55.4702 29.3845 177.4754 119 R 3.9634 8.3898 122.7404 57.7833 30.3502 176.6936 120 G 4.0555 10.3736 115.5644 45.5371 0.0000 173.6313 121 V 5.0515 7.0743 114.2823 62.1741 32.5567 173.1033 122 R 4.1283 7.8499 123.0303 56.6342 31.2623 176.5748 123 H 4.2566 8.7284 113.4431 56.6923 26.2286 175.5624 124 G 4.0787 8.0738 105.5893 47.6646 0.0000 173.1454 125 H 4.5826 8.4588 115.5770 55.1811 34.2482 172.2557 126 L 5.1169 8.9154 128.2775 53.3979 43.9435 174.8292 127 Q 4.8277 8.6184 127.1454 54.6011 31.4942 173.9691 128 C 5.1406 8.6829 122.4781 58.4046 31.8751 174.4355 129 L 4.8423 8.6775 120.7427 53.1413 43.4142 172.9538 130 P 4.6694 0.0000 0.0000 62.1710 32.9251 177.8166 131 K 4.1234 8.0356 122.3360 55.1660 31.5323 176.2100 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 Q 8.34 4.30 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 3 R 8.22 4.30 0.00 1.85 1.84 0.00 3.25 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 4 V 8.73 4.42 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 0.92 0.00 0.00 5 T 8.51 4.58 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 1.21 0.00 0.00 6 I 8.22 4.55 1.86 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 1.40 0.65 0.90 0.00 0.00 7 T 8.32 4.55 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 L 8.15 4.84 0.00 1.59 1.53 0.92 1.09 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 9 D 8.30 4.53 0.00 2.75 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 10 D 8.69 4.37 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.31 4.37 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.00 3.87 0.00 1.71 1.80 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.07 3.92 0.00 1.79 1.85 0.97 1.01 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 14 E 8.38 3.91 0.00 2.19 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 2.34 2.58 0.00 15 T 8.29 3.90 4.42 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 1.23 0.00 0.00 16 L 8.46 4.00 0.00 1.72 1.87 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.65 4.34 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.09 4.13 0.00 4.07 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 19 L 7.71 4.13 0.00 1.77 1.96 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.06 4.48 0.00 4.27 4.11 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 21 Q 8.40 4.16 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 22 R 8.36 4.10 0.00 1.77 1.96 0.00 3.20 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 23 R 7.29 4.35 0.00 1.56 1.45 0.00 3.13 0.00 0.00 3.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 24 G 7.89 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 0.00 0.00 0.00 25 Y 7.53 4.76 0.00 3.18 2.78 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 26 N 8.93 4.74 0.00 2.85 2.98 0.00 0.00 6.01 8.04 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 27 N 7.80 4.94 0.00 2.81 2.91 0.00 0.00 5.89 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 28 R 8.78 3.77 0.00 1.87 1.94 0.00 3.21 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 29 S 8.06 3.98 0.00 3.85 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 30 E 8.10 3.70 0.00 2.05 1.84 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 1.99 2.21 0.00 31 A 7.33 2.63 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 32 I 7.94 3.59 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.88 0.00 0.00 33 R 7.70 3.84 0.00 2.23 1.87 0.00 3.06 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 34 D 8.40 4.40 0.00 2.88 2.78 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 35 I 7.48 3.77 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.33 0.93 0.00 0.00 36 L 8.15 3.92 0.00 1.79 1.71 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.80 3.97 0.00 1.91 2.02 0.00 3.28 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 38 S 8.43 3.95 0.00 4.03 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 6.55 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.48 3.83 0.00 1.66 1.78 0.92 0.83 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 41 A 8.40 4.38 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 42 Q 7.29 4.26 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 43 E 7.48 4.42 0.00 1.91 1.91 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 2.26 2.29 0.00 44 A 7.66 4.57 1.20 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 0.00 0.00 45 T 7.91 4.27 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 1.20 0.00 0.00 46 Q 8.43 4.44 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 47 Q 8.43 4.31 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.94 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 48 H 8.10 4.43 0.00 3.08 3.49 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.10 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 0.00 0.00 0.00 50 T 7.52 4.07 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 51 Q 8.20 4.97 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.26 1.88 0.00 52 G 7.47 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 0.00 0.00 0.00 0.00 53 F 8.46 5.64 0.00 3.01 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 54 A 9.36 5.07 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 55 V 9.16 4.69 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 0.94 0.00 0.00 0.94 0.00 0.00 56 L 9.01 5.00 0.00 2.01 1.78 1.04 0.81 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 57 S 8.58 5.39 0.00 3.88 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 58 Y 7.73 4.64 0.00 3.20 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 V 7.71 5.02 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 1.03 0.00 0.00 0.94 0.00 0.00 60 Y 8.06 4.78 0.00 3.35 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 61 E 8.38 5.05 0.00 2.05 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 2.50 2.13 0.00 62 H 8.90 4.53 0.00 3.52 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.44 4.03 0.00 1.75 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 1.96 2.32 0.00 64 K 8.35 3.66 0.00 1.87 1.80 0.00 2.11 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.58 7.81 65 R 9.51 3.71 0.00 1.99 2.15 0.00 3.04 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 66 D 7.25 4.28 0.00 2.82 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 67 L 8.34 3.90 0.00 2.19 1.93 0.81 1.14 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 68 A 7.75 4.24 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.10 0.00 3.94 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 70 R 8.03 3.90 0.00 2.00 2.04 0.00 3.13 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 71 I 8.37 3.48 1.73 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.84 0.00 0.00 72 V 7.53 3.62 2.14 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 1.17 0.00 0.00 1.04 0.00 0.00 73 S 7.61 4.25 0.00 4.20 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 74 T 7.87 3.86 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 1.02 0.00 0.00 75 Q 8.11 4.49 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 76 H 8.89 4.09 0.00 3.27 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.60 4.33 0.00 3.32 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.64 5.04 0.00 3.36 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.35 4.30 0.00 3.24 3.58 0.00 5.51 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 80 D 7.74 4.75 0.00 2.58 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 81 L 8.23 4.65 0.00 1.60 1.28 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.77 4.78 0.00 3.79 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 83 V 8.74 3.86 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 0.77 0.00 0.00 1.10 0.00 0.00 84 A 7.59 4.56 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 85 T 8.49 5.02 4.42 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 1.38 0.00 0.00 86 L 9.35 4.65 0.00 1.71 1.53 0.90 0.87 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 87 H 8.81 5.16 0.00 3.21 3.07 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.17 4.14 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 0.84 0.00 0.00 0.89 0.00 0.00 89 H 8.54 4.50 0.00 3.16 3.18 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.86 4.09 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.92 0.00 0.00 91 N 7.47 4.14 0.00 2.92 2.92 0.00 0.00 6.14 7.90 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 92 H 8.87 4.20 0.00 3.13 3.45 0.00 5.88 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 93 D 8.39 4.73 0.00 2.59 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 94 D 9.96 5.00 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.54 4.87 0.00 2.03 2.32 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 96 L 8.25 4.89 0.00 1.59 1.56 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.41 4.79 0.00 1.16 1.54 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 0.00 2.21 2.26 0.00 98 I 8.15 4.87 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.90 0.00 0.00 99 A 9.53 5.16 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 0.00 100 V 8.82 4.68 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 0.87 0.00 0.00 0.90 0.00 0.00 101 L 9.20 5.28 0.00 1.54 1.33 0.99 0.44 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 0.00 102 K 8.46 5.36 0.00 1.99 1.68 0.00 1.90 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 0.56 7.81 103 G 8.32 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 0.00 0.00 0.00 104 D 8.05 4.48 0.00 2.70 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 *106 G 8.27 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.98 4.43 0.00 2.75 2.78 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 0.00 108 V 7.88 3.45 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 1.05 0.00 0.00 0.89 0.00 0.00 109 Q 7.87 3.98 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 110 H 8.36 4.00 0.00 3.49 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.90 3.93 0.00 2.86 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 0.00 112 A 8.94 4.00 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.39 4.30 0.00 2.79 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 0.00 114 D 7.60 4.47 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.08 3.86 1.73 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 0.24 0.00 0.00 0.39 0.00 0.00 116 I 7.73 3.48 1.80 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 1.34 0.72 0.89 0.00 0.00 117 A 7.53 4.05 1.31 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 0.00 0.00 0.00 118 Q 7.23 3.65 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 119 R 8.39 3.96 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 120 G 10.37 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 0.00 121 V 7.07 5.05 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 1.08 0.00 0.00 0.89 0.00 0.00 122 R 7.85 4.13 0.00 1.87 1.63 0.00 3.40 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 123 H 8.73 4.26 0.00 3.39 3.44 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.07 4.08 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 0.00 0.00 0.00 125 H 8.46 4.58 0.00 3.27 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.92 5.12 0.00 1.72 1.57 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.62 4.83 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 128 C 8.68 5.14 0.00 2.88 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 0.00 129 L 8.68 4.84 0.00 1.77 1.61 0.96 0.94 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 0.00 130 P 0.00 4.67 0.00 2.06 2.04 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 131 K 8.04 4.12 0.00 1.80 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.