NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2050 8.3444 119.6884 55.0693 29.5897 177.5873 4 L 3.9871 8.7510 132.3633 52.6418 43.4475 172.0349 5 T 4.4395 7.9964 117.7453 60.5927 72.4882 174.7438 6 E 4.0735 8.5885 119.6587 59.4284 29.6399 178.9829 7 E 3.9534 8.1661 119.3649 59.4584 29.5389 179.1164 8 Q 3.9243 8.0570 118.0622 58.8467 28.7048 178.7009 9 I 4.0549 8.1077 120.7052 64.3895 37.2071 178.0355 10 A 3.9864 8.3070 121.9049 55.4650 18.1193 179.3911 11 E 3.8863 8.2188 117.5227 59.4680 29.6326 179.0565 12 F 4.6736 8.6819 118.3374 60.2665 38.7541 177.6869 13 K 3.6666 8.4573 119.2123 59.5545 32.3824 178.5016 14 E 4.1386 8.4590 118.6859 59.0350 29.3551 178.9284 15 A 4.1748 8.3981 121.1740 55.5334 18.5246 179.1666 16 F 3.3315 8.5055 119.2893 61.5821 39.0500 177.5445 17 S 4.3505 7.9090 112.2282 61.0439 62.8699 176.1527 18 L 4.0263 7.8498 122.2316 57.1971 41.2952 178.7035 19 F 4.3931 7.8919 116.3279 58.9489 40.9523 176.7988 20 D 4.4773 7.9340 120.1591 52.7285 38.5567 176.3676 21 K 3.8802 8.1905 123.2766 58.6798 32.5826 177.6999 22 D 4.6145 8.2331 114.9844 52.2489 39.4713 176.3513 23 G 4.0487 7.8157 106.1951 46.8670 0.0000 174.1910 24 D 4.5117 8.4061 116.6162 53.3001 39.6267 177.3611 25 G 4.1796 9.3500 109.5091 45.4778 0.0000 173.2676 26 T 5.1892 8.2158 108.5257 59.9843 72.4978 173.3132 27 I 4.6470 8.9204 124.1114 60.0833 39.3013 175.8087 28 T 4.7528 8.6713 118.0578 60.3479 71.1105 176.0456 29 T 3.8811 8.5417 112.1074 64.9409 68.4782 176.5730 30 K 3.9743 7.9589 120.6861 59.2734 32.1981 178.9320 31 E 3.9487 8.1383 118.8673 59.4056 29.3224 179.1803 32 L 4.1935 8.2742 120.5429 58.0095 42.0540 179.3077 33 G 3.5813 8.2784 105.6832 48.0966 0.0000 175.5067 34 T 3.8543 7.8215 118.8172 66.3734 68.3731 176.6510 35 V 3.5191 7.5834 120.9725 65.7614 31.5374 177.9513 36 M 4.0719 8.3373 118.7076 58.5861 31.8251 179.0763 37 R 4.5644 8.4945 119.8504 58.6572 30.0985 179.1998 38 S 4.2314 8.1461 113.9588 60.3926 62.5867 175.4579 39 L 4.5848 7.2595 121.2413 54.1011 41.8614 176.9919 40 G 3.8131 7.8342 105.9589 45.9550 0.0000 173.9076 41 Q 4.5551 7.9560 118.9914 54.3683 31.3570 175.0671 42 N 5.1950 8.0773 115.3654 51.5767 38.9115 172.2214 43 P 4.6001 0.0000 0.0000 62.7502 32.7215 177.7734 44 T 4.2385 8.6391 112.3079 61.0185 71.0972 175.4804 45 E 3.9512 8.6697 118.9917 59.7685 29.3834 179.0719 46 A 4.0594 7.9397 121.1779 54.6126 18.4580 179.3206 47 E 4.0691 8.1603 117.1284 59.6591 29.5771 179.5452 48 L 4.0162 8.0484 118.9969 57.8827 41.5439 179.6492 49 Q 4.0625 8.0888 117.7890 58.7583 28.6922 178.2378 50 D 4.3668 8.1764 120.0541 57.7231 40.6068 178.7838 51 M 4.0960 8.2986 119.2412 58.3825 31.9362 178.9191 52 I 3.6569 7.8584 119.8225 64.6461 37.1545 178.3935 53 N 4.4005 8.2800 115.8579 56.0913 38.3233 177.0649 54 E 4.1229 7.9413 119.5498 58.6892 29.6607 178.7394 55 V 4.2239 7.1407 116.8381 61.7587 33.0847 176.2464 56 D 4.5025 8.1199 119.7984 53.5024 39.5678 176.2098 57 A 4.0678 8.4936 128.7650 54.7242 18.6694 178.3792 58 D 4.4942 8.3792 112.4833 53.1508 39.9304 176.8808 59 G 3.9065 7.6959 106.7155 46.8376 0.0000 174.1405 60 N 4.5616 8.4417 114.9181 52.4792 37.6692 176.0491 61 G 4.0206 9.6484 108.9826 45.3865 0.0000 173.1487 62 T 4.9141 7.6404 107.6774 60.1504 72.7223 173.1965 63 I 4.8207 8.6069 123.2504 59.9185 39.3860 175.5700 64 D 5.3338 8.9889 127.0749 51.9013 42.0569 177.4907 65 F 3.3039 8.4946 119.3621 60.6936 39.2295 174.8435 66 P 3.8919 0.0000 0.0000 65.6188 31.0918 178.3958 67 E 3.8793 8.5553 117.3164 59.2360 29.3825 179.1168 68 F 3.9213 8.2608 120.8119 61.1245 39.3851 176.9453 69 L 3.3838 7.9591 120.3364 58.0438 41.5409 178.8912 70 T 3.6225 7.3070 114.5617 66.7749 68.4901 175.5388 71 M 3.9353 7.4111 118.3471 59.2595 32.2309 178.0579 72 M 3.9305 7.1137 116.5222 56.5985 31.9478 176.6962 73 A 3.7788 7.1265 122.7328 54.1299 18.6210 175.2221 74 R 3.7042 8.3770 119.1614 55.1223 30.2454 173.1378 *81 S 4.2975 8.3211 111.2917 58.8753 63.4679 173.5310 82 E 4.0744 8.8041 118.3104 60.0908 29.3007 179.5907 83 E 4.0622 8.1637 118.2079 59.1005 29.5542 179.0898 84 E 4.0546 8.1731 117.4490 59.5483 29.8619 179.1802 85 I 4.0001 7.6279 119.7373 64.1459 37.3091 178.5524 86 R 4.1220 8.4295 118.9859 59.4471 29.6794 178.9034 87 E 4.0252 8.3033 116.9724 59.4817 29.6509 179.0541 88 A 4.3102 8.5503 120.9592 55.0848 18.4214 179.2832 89 F 3.1586 8.9057 119.6507 61.4638 39.1681 177.6842 90 R 3.8326 7.9031 116.0850 58.7719 29.8293 178.8412 91 V 3.6191 7.2424 117.6832 65.9582 31.5477 177.7003 92 F 4.3476 7.8982 115.7275 59.5365 40.6089 176.7278 93 D 4.6373 7.7884 119.6689 52.7137 37.4950 176.4367 94 K 3.8293 7.9725 122.1631 58.9231 32.7300 177.8421 95 D 4.5355 8.4700 115.5371 52.6822 39.7196 176.9587 96 G 3.9090 8.1243 107.9195 46.6304 0.0000 174.2061 97 N 4.6055 8.4578 114.7804 52.6835 37.6440 176.1337 98 G 4.0106 9.6253 109.2085 45.3340 0.0000 172.4300 99 Y 5.0177 7.8693 116.2784 56.1255 41.4280 175.1227 100 I 4.3823 9.2594 126.2969 60.8646 38.5506 175.8380 101 S 4.9017 8.9676 122.0625 56.9785 65.1718 175.1126 102 A 3.9763 8.8570 122.2006 55.7223 17.9423 179.9991 103 A 4.0185 7.9622 118.4212 55.1956 18.6291 179.5893 104 E 4.0231 8.4109 117.3720 59.3540 29.4237 179.3430 105 L 4.1509 8.0552 120.4139 58.1403 42.1322 178.7879 106 R 3.9066 8.3411 118.6184 60.0745 30.0838 178.4709 107 H 4.1990 8.1855 115.4164 58.8447 28.5829 178.1817 108 V 3.4954 7.7575 119.5261 66.3526 31.0501 178.0456 109 M 4.1072 8.3474 118.6898 58.7861 31.7704 178.9611 110 T 4.0117 8.2694 116.1421 66.6429 68.3590 176.5471 111 N 4.4401 7.9976 117.5998 55.6618 38.5641 176.4063 112 L 4.2888 7.3599 118.1103 53.8795 42.7375 176.3244 113 G 3.5254 8.4496 105.4889 45.6250 0.0000 175.9194 114 E 4.2412 7.8016 118.2086 54.7178 31.1409 174.4376 115 K 4.2668 8.4889 126.6951 55.5662 31.8642 176.6611 116 L 4.8064 8.0647 123.9935 52.3336 44.2316 177.6180 117 T 4.0651 8.0108 111.7016 61.9585 70.7556 175.4376 118 D 4.3887 8.6101 121.6685 57.3105 40.8269 179.0448 119 E 3.9897 8.0880 119.1142 59.2811 29.6961 178.7631 120 E 3.9553 8.1069 118.6103 59.3441 29.4731 179.5331 121 V 3.5793 7.4616 117.7817 66.2912 31.6507 177.6763 122 D 4.3550 7.9710 118.2626 57.5120 40.5969 178.5877 123 E 4.0330 8.3150 119.7157 59.3028 29.4559 178.8142 124 M 4.0251 7.9797 118.5714 58.4408 32.0098 178.6480 125 I 3.7042 7.9022 119.9830 64.4519 37.0899 178.3976 126 R 3.8784 8.1823 118.3218 59.6675 29.9939 178.1566 127 E 4.0702 8.4596 117.2586 59.1197 29.4521 178.7241 128 A 4.2065 7.6259 120.1872 53.2677 19.0937 177.6758 129 D 4.4343 7.9100 117.5261 54.6579 41.9413 175.1775 130 I 4.3053 8.8663 126.8928 63.0140 38.7443 176.8544 131 D 4.4160 8.3563 116.6656 54.1235 39.7736 177.1888 132 G 3.9457 8.3053 108.1152 45.5940 0.0000 173.9720 133 D 4.3794 8.1622 118.3708 54.0618 39.5703 177.4895 134 G 3.9508 8.9803 108.6511 45.4396 0.0000 172.5551 135 Q 4.8434 8.2974 116.9314 54.0254 33.5183 174.6330 136 V 4.7479 8.9139 120.7331 61.4891 33.7129 175.1911 137 N 5.0442 9.2550 126.4027 51.2687 39.6613 175.7472 138 Y 3.0609 8.1824 118.2875 60.5215 38.8108 177.0996 139 E 3.6879 8.0491 119.7027 59.3747 29.6879 178.4487 140 E 3.9479 8.9880 118.8841 59.3062 29.3698 179.1266 141 F 4.0595 8.3965 120.7872 61.2500 39.5992 177.1387 142 V 3.4135 7.7531 118.2506 66.2521 30.9671 178.0772 143 Q 3.9222 7.6049 116.1866 58.9217 28.5915 177.7375 144 M 4.0489 7.6304 118.3867 59.0463 32.2224 178.0233 145 M 4.0525 7.2118 117.2184 58.6469 32.3186 176.5844 146 T 4.0011 7.4346 118.2901 64.1181 68.6969 174.0007 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 3 Q 8.34 4.20 0.00 2.07 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 4 L 8.75 3.99 0.00 1.64 1.56 1.08 0.62 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 5 T 8.00 4.44 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 6 E 8.59 4.07 0.00 2.21 2.28 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 2.38 2.36 0.00 7 E 8.17 3.95 0.00 2.08 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 2.40 2.47 0.00 8 Q 8.06 3.92 0.00 2.42 2.32 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 2.34 2.42 0.00 9 I 8.11 4.05 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.96 1.15 0.00 0.00 10 A 8.31 3.99 1.42 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 0.00 0.00 11 E 8.22 3.89 0.00 2.15 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 12 F 8.68 4.67 0.00 3.65 3.47 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 13 K 8.46 3.67 0.00 1.28 1.90 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.15 1.33 7.81 14 E 8.46 4.14 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 15 A 8.40 4.17 1.79 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 0.00 0.00 16 F 8.51 3.33 0.00 2.93 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 17 S 7.91 4.35 0.00 4.12 4.04 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 18 L 7.85 4.03 0.00 1.66 1.51 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.89 4.39 0.00 2.73 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 20 D 7.93 4.48 0.00 2.03 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 0.00 0.00 0.00 21 K 8.19 3.88 0.00 1.88 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.34 7.81 22 D 8.23 4.61 0.00 2.79 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 23 G 7.82 4.05 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 0.00 0.00 0.00 24 D 8.41 4.51 0.00 2.85 2.80 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 0.00 0.00 0.00 25 G 9.35 4.18 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 0.00 0.00 0.00 26 T 8.22 5.19 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 1.29 0.00 0.00 27 I 8.92 4.65 1.89 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.35 0.96 0.00 0.00 28 T 8.67 4.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 T 8.54 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 30 K 7.96 3.97 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.54 7.81 31 E 8.14 3.95 0.00 2.17 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 0.00 2.31 2.31 0.00 32 L 8.27 4.19 0.00 1.97 1.84 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.28 3.58 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 0.00 0.00 0.00 34 T 7.82 3.85 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 1.17 0.00 0.00 35 V 7.58 3.52 2.20 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 0.85 0.00 0.00 0.73 0.00 0.00 36 M 8.34 4.07 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.97 0.00 37 R 8.49 4.56 0.00 1.83 1.96 0.00 3.13 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 1.80 1.62 0.00 38 S 8.15 4.23 0.00 4.12 4.14 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 39 L 7.26 4.58 0.00 1.65 1.59 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.96 4.56 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 42 N 8.08 5.20 0.00 2.61 2.66 0.00 0.00 6.98 7.69 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 43 P 0.00 4.60 0.00 2.23 2.06 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.64 4.24 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 45 E 8.67 3.95 0.00 2.19 2.26 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 2.37 2.33 0.00 46 A 7.94 4.06 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 47 E 8.16 4.07 0.00 2.30 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 2.34 2.36 0.00 48 L 8.05 4.02 0.00 1.90 1.74 0.98 0.79 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 49 Q 8.09 4.06 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 50 D 8.18 4.37 0.00 2.92 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 51 M 8.30 4.10 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.61 0.00 52 I 7.86 3.66 2.01 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 1.71 0.92 0.97 0.00 0.00 53 N 8.28 4.40 0.00 2.68 2.89 0.00 0.00 7.16 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 54 E 7.94 4.12 0.00 2.12 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 2.42 0.00 55 V 7.14 4.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 56 D 8.12 4.50 0.00 2.96 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 57 A 8.49 4.07 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 58 D 8.38 4.49 0.00 2.80 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 59 G 7.70 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 60 N 8.44 4.56 0.00 2.84 2.95 0.00 0.00 7.05 8.23 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 61 G 9.65 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 62 T 7.64 4.91 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 63 I 8.61 4.82 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 1.12 0.00 0.00 64 D 8.99 5.33 0.00 2.87 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 65 F 8.49 3.30 0.00 2.14 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 66 P 0.00 3.89 0.00 2.13 2.02 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 67 E 8.56 3.88 0.00 2.27 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 0.00 2.30 2.37 0.00 68 F 8.26 3.92 0.00 3.29 3.01 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 0.00 0.00 0.00 69 L 7.96 3.38 0.00 0.77 1.28 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.31 3.62 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 1.10 0.00 0.00 71 M 7.41 3.94 0.00 1.70 1.97 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 72 M 7.11 3.93 0.00 0.90 1.12 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.50 0.00 73 A 7.13 3.78 1.15 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 74 R 8.38 3.70 0.00 1.94 2.20 0.00 3.35 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.00 *81 S 8.32 4.30 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.07 0.00 2.08 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 2.46 2.38 0.00 83 E 8.16 4.06 0.00 2.13 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 2.41 2.44 0.00 84 E 8.17 4.05 0.00 2.25 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 0.00 2.47 2.39 0.00 85 I 7.63 4.00 2.12 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 1.61 0.66 1.20 0.00 0.00 86 R 8.43 4.12 0.00 2.10 1.98 0.00 3.04 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.84 0.00 87 E 8.30 4.03 0.00 2.29 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 2.39 2.47 0.00 88 A 8.55 4.31 1.79 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 0.00 0.00 89 F 8.91 3.16 0.00 2.78 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 90 R 7.90 3.83 0.00 2.06 1.97 0.00 3.23 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 91 V 7.24 3.62 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 0.58 0.00 0.00 1.00 0.00 0.00 92 F 7.90 4.35 0.00 2.85 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 93 D 7.79 4.64 0.00 1.87 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 0.00 0.00 0.00 94 K 7.97 3.83 0.00 1.77 1.84 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.37 7.81 95 D 8.47 4.54 0.00 2.78 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 96 G 8.12 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 97 N 8.46 4.61 0.00 2.99 3.01 0.00 0.00 7.06 6.52 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 98 G 9.63 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.87 5.02 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.26 4.38 1.87 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.32 0.91 0.00 0.00 101 S 8.97 4.90 0.00 3.95 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 0.00 102 A 8.86 3.98 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 0.00 103 A 7.96 4.02 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 0.00 104 E 8.41 4.02 0.00 2.22 2.28 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 2.36 2.36 0.00 105 L 8.06 4.15 0.00 1.87 1.86 1.15 0.99 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 0.00 106 R 8.34 3.91 0.00 1.91 1.85 0.00 3.13 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 107 H 8.19 4.20 0.00 3.36 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.76 3.50 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 0.79 0.00 0.00 0.85 0.00 0.00 109 M 8.35 4.11 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.99 0.00 110 T 8.27 4.01 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 1.21 0.00 0.00 111 N 8.00 4.44 0.00 2.91 2.82 0.00 0.00 7.06 7.87 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 0.00 112 L 7.36 4.29 0.00 1.68 1.56 0.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.45 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.80 4.24 0.00 1.91 1.87 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 2.22 2.27 0.00 115 K 8.49 4.27 0.00 1.78 1.76 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.45 7.81 116 L 8.06 4.81 0.00 1.58 1.55 0.93 0.96 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 0.00 117 T 8.01 4.07 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 0.00 118 D 8.61 4.39 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.09 3.99 0.00 1.97 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 2.40 2.34 0.00 120 E 8.11 3.96 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 121 V 7.46 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.94 0.00 0.00 122 D 7.97 4.36 0.00 2.93 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 0.00 123 E 8.31 4.03 0.00 2.09 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 2.30 2.39 0.00 124 M 7.98 4.03 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 125 I 7.90 3.70 2.03 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 1.59 0.91 0.98 0.00 0.00 126 R 8.18 3.88 0.00 1.97 2.30 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 127 E 8.46 4.07 0.00 1.97 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 2.66 2.46 0.00 128 A 7.63 4.21 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 0.00 129 D 7.91 4.43 0.00 2.78 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 0.00 130 I 8.87 4.31 1.99 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 0.94 0.91 0.00 0.00 131 D 8.36 4.42 0.00 2.81 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 0.00 132 G 8.31 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 0.00 133 D 8.16 4.38 0.00 2.79 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 0.00 134 G 8.98 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 0.00 135 Q 8.30 4.84 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 136 V 8.91 4.75 2.20 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 1.19 0.00 0.00 0.99 0.00 0.00 137 N 9.25 5.04 0.00 2.59 2.94 0.00 0.00 6.47 7.18 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 0.00 138 Y 8.18 3.06 0.00 2.09 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 0.00 139 E 8.05 3.69 0.00 2.08 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 2.35 2.43 0.00 140 E 8.99 3.95 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 141 F 8.40 4.06 0.00 3.34 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 0.00 142 V 7.75 3.41 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 0.86 0.00 0.00 0.14 0.00 0.00 143 Q 7.60 3.92 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 144 M 7.63 4.05 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 145 M 7.21 4.05 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 146 T 7.43 4.00 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.