NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2430 8.2993 120.1339 56.5067 33.1763 174.7275 3 T 4.1924 8.4138 115.1564 59.7769 69.8409 172.6593 4 I 4.4335 7.9704 126.9024 59.1051 41.3561 175.3881 5 D 4.9791 8.3949 123.9488 50.6663 42.4576 176.2574 6 L 3.8960 8.4168 118.7451 58.3649 41.8402 178.7046 7 A 4.1181 7.9639 120.2684 55.2092 18.4819 179.1372 8 D 4.2852 8.6719 117.7446 57.5232 40.8070 179.1094 9 I 3.9587 7.6736 120.2116 64.6094 37.0987 178.4690 10 Q 3.4642 8.3787 119.0333 58.6340 28.4523 178.7807 11 A 3.8396 7.9176 121.7485 55.0389 18.4173 179.4913 12 F 4.1557 8.1038 118.6070 61.4900 39.5669 177.2740 13 L 3.7367 7.9624 118.6956 57.9642 41.2922 179.2551 14 Y 4.3154 7.9617 117.0551 60.9447 37.7800 178.4112 15 R 3.8526 8.0390 119.6199 59.3545 30.4211 177.8996 16 E 3.9168 8.1006 119.7563 59.5709 29.5589 179.1151 17 S 4.1849 8.0268 113.9851 61.2909 62.9931 176.2374 18 R 3.8719 8.2136 122.4249 59.3275 29.7048 178.5152 19 L 3.9585 8.1755 118.7068 57.5344 41.6120 179.6228 20 L 3.6416 7.4862 118.0229 57.8439 41.3910 179.2267 21 D 4.5753 7.7764 118.7679 56.2190 40.7779 177.5431 22 D 4.5437 7.9439 117.0001 52.8288 41.2016 176.3533 23 K 2.0000 6.9232 117.2386 56.9864 30.3741 177.2484 24 A 4.1663 7.1149 121.6075 50.7247 16.0023 177.9520 25 W 4.5048 7.4519 124.5811 59.2845 29.9203 177.8514 26 D 4.4952 8.3220 118.2659 57.3670 40.1770 178.4163 27 A 4.0760 8.0506 119.6690 54.8107 18.6975 178.9008 28 W 4.4097 8.5581 126.9007 60.9137 30.8644 178.1394 29 L 3.6260 8.4027 118.7434 57.7898 40.8569 178.7108 30 D 4.6210 7.7403 115.7988 55.8022 41.1127 176.8196 31 C 4.4235 8.1751 117.4534 60.6280 28.6653 172.4912 32 Y 4.6763 7.4230 118.1692 55.4896 39.7854 175.7965 33 R 3.9974 8.6207 124.7448 55.8446 31.0021 177.1582 34 A 4.1393 8.7270 126.6659 55.0511 18.4433 178.5533 35 D 4.9480 7.9166 112.7691 53.0844 39.9752 176.1558 36 A 4.4141 8.3357 123.1526 52.9058 19.5510 177.3750 37 V 4.7526 8.5120 121.9658 61.3428 34.0857 174.5107 38 F 5.3242 9.2382 129.0244 56.5003 42.4643 173.2890 39 W 6.3000 9.5019 135.0000 54.6129 35.0194 171.3721 *41 P 4.4644 0.0000 0.0000 63.1500 31.6273 177.1948 42 S 4.6244 8.1042 117.9918 58.0842 63.7408 174.5206 43 W 4.4923 8.8963 121.6889 57.1277 29.8616 177.9035 44 D 4.9046 8.5920 124.1116 51.7094 38.1180 171.8552 45 D 4.6993 8.1843 121.8075 53.2928 41.2138 176.8326 *57 I 3.9030 7.6097 117.4063 60.3898 36.4347 178.8801 58 S 5.2139 8.3945 121.4151 55.6508 65.3676 174.7195 59 L 4.2452 8.5107 122.0884 57.6345 41.5726 178.0846 60 I 4.6929 7.5431 117.8739 59.8457 41.7101 173.8200 61 Y 5.2675 8.1717 126.5991 56.3603 41.9353 173.5373 62 Y 4.7218 8.5671 124.1541 55.5970 41.1876 174.7009 63 P 4.2225 0.0000 0.0000 63.9648 32.2746 174.8587 64 N 5.5459 7.3206 114.8859 51.3267 40.0757 174.8987 65 R 3.7070 8.7787 117.5328 59.0188 29.7468 177.7601 66 Q 3.9321 7.8357 119.9995 59.4208 28.8600 179.0612 67 G 3.0412 7.3700 105.7647 47.5818 0.0000 175.6816 68 L 3.4927 6.9372 120.6083 57.1598 41.6069 179.2061 69 E 3.9201 7.9485 118.6341 59.5875 29.4492 179.1513 70 D 4.3160 8.0854 119.0243 57.2845 40.8124 178.8748 71 R 3.8299 7.7688 119.3157 59.3187 29.9779 178.7173 72 V 3.2429 7.9274 118.2891 65.6836 31.4775 177.6918 73 F 3.7745 8.2389 120.5059 61.2279 39.1414 177.0398 74 R 3.9102 8.0825 118.2126 59.4600 29.8576 178.4940 75 I 3.4662 7.5851 119.4825 64.2687 37.1395 178.4846 76 K 3.7659 7.7754 119.4805 59.6829 31.5779 179.5550 77 T 3.6988 7.3955 114.7798 66.5653 68.1851 176.1493 78 E 4.0719 8.2060 120.6062 59.7090 29.6477 179.7865 79 R 3.7032 8.1029 117.7747 58.6647 29.8849 179.0437 80 S 4.2164 7.8296 113.4634 60.4969 63.1238 175.6952 81 S 4.4430 7.3672 115.7890 58.2015 63.9194 174.4747 82 A 4.1131 7.1906 125.4194 52.2551 18.7216 176.9871 83 T 4.4954 8.1315 120.6883 61.9732 70.8029 175.7801 84 V 3.8531 8.0684 120.2538 60.3328 32.1221 174.9050 85 P 4.4696 0.0000 0.0000 62.2354 31.9753 175.8987 86 D 4.5814 8.3745 120.7911 53.7587 42.3382 175.1960 87 T 4.6146 8.1846 118.5047 62.7400 69.2718 174.7182 88 R 4.7475 9.4755 127.1155 54.8754 32.1064 175.8518 89 T 5.2534 8.4947 112.9398 60.1523 72.9688 173.3031 90 S 4.8058 8.9209 117.5387 57.4801 65.1893 172.7794 91 H 4.9403 9.7230 125.6332 55.8046 29.9467 175.6386 92 N 4.8752 8.9441 118.1134 52.0528 42.1163 173.1672 93 I 5.0994 8.4767 124.7971 59.7672 38.7620 175.3542 94 A 4.7701 9.0558 128.0771 50.2402 23.1187 174.9355 95 N 4.2517 8.7865 113.3500 54.2949 35.9998 175.5809 96 V 4.1790 7.9254 117.1404 62.8484 32.5768 174.3992 97 E 4.8359 9.2447 126.7874 54.4680 32.8483 175.4490 98 R 4.3977 8.7870 123.5651 56.5320 30.4639 175.7946 99 E 4.6601 9.3920 123.4528 57.8912 31.4713 176.0207 100 S 4.7336 7.6855 111.1451 57.5185 66.5938 173.1632 101 A 4.9924 8.3257 120.9388 50.3414 22.1010 175.4774 102 D 4.5163 9.2302 121.2819 52.8169 43.9746 176.7070 103 G 3.8668 8.2128 118.6586 47.2720 0.0000 172.6751 104 D 4.7163 8.8078 125.0855 53.7447 41.1168 174.8661 105 V 4.7412 8.0376 121.8495 61.9516 33.0546 174.2169 106 H 5.3550 9.5147 125.8786 54.3385 31.7161 173.2971 107 T 5.2900 9.0555 120.0652 62.0170 71.0867 173.8900 108 V 5.1542 9.1142 118.6995 59.6214 36.5365 174.5809 109 R 5.3241 8.8997 118.8137 54.8957 32.8436 174.2000 110 F 5.3492 8.3839 113.3770 56.4700 41.0361 173.0937 111 N 5.2963 9.2660 118.1534 52.2848 41.1290 173.9929 112 W 6.1553 8.4629 116.4498 56.7502 32.1014 173.4914 113 H 5.3219 9.2352 120.6802 56.0270 32.4512 171.7964 114 T 5.1258 9.7291 123.9151 62.0813 70.7722 173.8340 115 L 5.3084 8.7172 126.1624 53.3682 44.4344 175.5571 116 S 5.3612 9.1145 116.2889 57.0733 66.5547 172.0604 117 Y 5.1683 9.3772 127.0211 57.2473 42.3248 172.1388 118 R 4.4484 7.8670 122.5336 55.8151 29.5019 173.4605 119 Y 3.8790 8.4733 115.9743 56.7443 38.9126 168.1905 120 K 4.3758 7.6352 121.0604 55.9626 35.2104 176.3804 121 T 4.5587 7.4876 113.1764 59.9118 69.3173 172.3530 122 V 4.7695 8.4217 128.4070 61.9935 33.0422 174.8794 123 S 4.8850 9.1789 123.7891 56.8934 65.6408 173.1776 124 S 5.4447 8.4175 118.7606 57.0214 65.6894 173.0754 125 Y 5.1681 9.1612 120.6805 56.3586 41.6301 174.5798 126 F 4.5957 8.7725 117.3740 54.2532 42.2264 177.4716 127 G 4.4794 6.8488 112.0377 46.2292 0.0000 175.9289 *129 S 4.6158 8.1590 119.3870 57.9490 64.7445 171.1938 130 R 5.0912 9.1686 123.0738 54.8947 32.6530 173.8589 131 Y 5.5527 9.2782 123.6186 56.2849 41.4903 174.3169 132 A 5.2624 8.9750 125.3615 50.4024 21.6160 175.6181 133 I 4.7438 9.0065 123.5828 59.3924 41.1589 174.2287 134 D 4.9089 9.1429 127.7705 53.3802 41.8731 175.9669 135 F 4.6415 9.3490 125.1314 57.4071 39.0541 177.6547 136 S 4.3056 8.9024 117.2439 60.9520 63.0556 174.8818 137 G 3.9528 7.6158 108.7275 44.3446 0.0000 172.6461 138 D 4.4431 8.5855 117.6506 55.9214 41.1056 176.7893 139 A 4.7363 7.5078 120.5619 49.1465 21.6915 173.8802 140 P 4.0971 0.0000 0.0000 62.4613 32.4438 176.2119 141 K 4.5151 8.0441 120.7272 54.4641 36.2989 175.9676 142 I 3.8913 8.7968 127.2217 61.8279 37.5871 176.9702 143 V 3.9586 9.0771 127.3347 64.3798 33.4656 175.6809 144 S 5.1720 7.7567 113.9929 56.7010 66.1708 172.7053 145 K 4.9293 9.4895 128.2039 54.6966 35.1460 173.8594 146 Y 5.2315 9.1236 128.2914 55.7685 41.7818 174.1207 147 V 4.4483 7.9117 126.2795 61.0038 34.4789 174.7116 148 V 3.8186 8.1874 128.1355 61.0970 32.8411 174.4082 149 L 4.7228 8.4530 131.1046 54.0854 42.3441 176.4525 150 K 4.0260 8.3578 127.2242 58.1752 32.6266 177.7777 151 N 4.5125 6.8490 117.3524 51.1973 35.8654 173.9662 152 D 4.4087 7.7821 125.4719 56.6827 40.6430 177.9176 *153 Y 4.1171 7.5379 120.7393 55.5940 35.7559 178.9586 *157 L 4.3314 7.7162 125.9486 53.4084 42.7542 174.3887 158 I 4.2724 8.1201 114.0609 60.8490 40.2588 174.2321 159 D 4.7871 7.8646 124.8615 51.5649 44.1643 176.0013 160 I 3.6834 7.8732 113.5520 63.7117 37.2937 177.0122 161 Y 4.3168 7.0592 116.5222 58.1022 38.2022 175.4277 162 H 4.6579 7.6466 117.4238 56.1160 29.5498 175.1789 163 I 3.4263 7.2262 117.6493 60.6948 37.4920 174.9470 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 8.30 4.24 0.00 1.93 1.83 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 3 T 8.41 4.19 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 4 I 7.97 4.43 1.30 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.37 -0.19 0.00 0.00 5 D 8.39 4.98 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.42 3.90 0.00 1.76 1.69 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.96 4.12 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 8 D 8.67 4.29 0.00 2.61 2.60 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 9 I 7.67 3.96 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.47 1.03 0.00 0.00 10 Q 8.38 3.46 0.00 1.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 11 A 7.92 3.84 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 12 F 8.10 4.16 0.00 3.25 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.74 0.00 1.48 1.33 0.37 0.45 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 14 Y 7.96 4.32 0.00 2.99 2.88 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 0.00 0.00 0.00 0.00 15 R 8.04 3.85 0.00 1.91 1.98 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 16 E 8.10 3.92 0.00 1.29 1.67 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 2.50 2.26 0.00 17 S 8.03 4.18 0.00 4.01 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 18 R 8.21 3.87 0.00 1.97 2.19 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 19 L 8.18 3.96 0.00 2.13 1.84 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.49 3.64 0.00 1.79 1.63 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.78 4.58 0.00 2.75 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 22 D 7.94 4.54 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 0.00 0.00 0.00 0.00 0.00 23 K 6.92 2.00 0.00 1.51 1.24 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.01 1.06 7.81 24 A 7.11 4.17 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 25 W 7.45 4.50 0.00 3.49 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 26 D 8.32 4.50 0.00 2.77 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 27 A 8.05 4.08 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 28 W 8.56 4.41 0.00 3.56 3.67 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 29 L 8.40 3.63 0.00 1.98 1.69 1.05 0.84 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 30 D 7.74 4.62 0.00 2.88 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 31 C 8.18 4.42 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 32 Y 7.42 4.68 0.00 2.80 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 33 R 8.62 4.00 0.00 1.91 1.96 0.00 3.07 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 34 A 8.73 4.14 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 35 D 7.92 4.95 0.00 2.79 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 36 A 8.34 4.41 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 37 V 8.51 4.75 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 1.19 0.00 0.00 0.99 0.00 0.00 38 F 9.24 5.32 0.00 3.20 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 39 W 9.50 6.30 0.00 3.66 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 *41 P 0.00 4.46 0.00 1.72 1.51 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.93 0.00 42 S 8.10 4.62 0.00 3.47 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 43 W 8.90 4.49 0.00 3.22 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.59 4.90 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.18 4.70 0.00 2.77 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 *57 I 7.61 3.90 1.87 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 1.41 0.71 0.91 0.00 0.00 58 S 8.39 5.21 0.00 4.05 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 0.00 59 L 8.51 4.25 0.00 1.68 1.77 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.54 4.69 2.07 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 1.21 0.90 0.61 0.00 0.00 61 Y 8.17 5.27 0.00 2.92 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 62 Y 8.57 4.72 0.00 2.80 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 63 P 0.00 4.22 0.00 2.16 2.16 0.00 3.74 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 64 N 7.32 5.55 0.00 3.07 2.92 0.00 0.00 6.38 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 65 R 8.78 3.71 0.00 2.11 1.89 0.00 3.21 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 66 Q 7.84 3.93 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 67 G 7.37 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 6.94 3.49 0.00 1.53 1.48 0.26 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.95 3.92 0.00 2.10 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 2.30 2.36 0.00 70 D 8.09 4.32 0.00 2.66 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 71 R 7.77 3.83 0.00 1.86 1.89 0.00 3.06 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 72 V 7.93 3.24 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 1.05 0.00 0.00 1.13 0.00 0.00 73 F 8.24 3.77 0.00 3.07 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 74 R 8.08 3.91 0.00 1.95 2.02 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 75 I 7.59 3.47 1.32 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.35 -0.05 0.00 0.00 76 K 7.78 3.77 0.00 1.50 1.62 0.00 1.49 0.00 0.00 1.57 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.38 7.81 77 T 7.40 3.70 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 1.19 0.00 0.00 78 E 8.21 4.07 0.00 2.07 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 2.30 2.46 0.00 79 R 8.10 3.70 0.00 1.95 1.98 0.00 3.16 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 80 S 7.83 4.22 0.00 4.02 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 81 S 7.37 4.44 0.00 3.89 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 A 7.19 4.11 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 83 T 8.13 4.50 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 84 V 8.07 3.85 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 0.77 0.00 0.00 0.93 0.00 0.00 85 P 0.00 4.47 0.00 2.21 2.17 0.00 3.57 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 1.90 1.91 0.00 86 D 8.37 4.58 0.00 2.64 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 87 T 8.18 4.61 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 1.37 0.00 0.00 88 R 9.48 4.75 0.00 1.87 1.91 0.00 3.23 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 89 T 8.49 5.25 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 1.41 0.00 0.00 90 S 8.92 4.81 0.00 3.92 3.77 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 91 H 9.72 4.94 0.00 3.17 3.33 0.00 5.85 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 92 N 8.94 4.88 0.00 2.85 2.76 0.00 0.00 6.91 7.15 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 93 I 8.48 5.10 2.03 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 1.36 0.74 0.55 0.00 0.00 94 A 9.06 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.79 4.25 0.00 2.96 2.98 0.00 0.00 6.91 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 96 V 7.93 4.18 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 0.87 0.00 0.00 0.97 0.00 0.00 97 E 9.24 4.84 0.00 1.96 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 2.26 2.48 0.00 98 R 8.79 4.40 0.00 1.73 1.91 0.00 3.16 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 99 E 9.39 4.66 0.00 1.96 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 2.29 2.28 0.00 100 S 7.69 4.73 0.00 3.86 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 0.00 101 A 8.33 4.99 1.05 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 0.00 102 D 9.23 4.52 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.21 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 0.00 0.00 0.00 104 D 8.81 4.72 0.00 2.76 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 0.00 105 V 8.04 4.74 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 0.84 0.00 0.00 0.95 0.00 0.00 106 H 9.51 5.35 0.00 3.32 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 9.06 5.29 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 1.40 0.00 0.00 108 V 9.11 5.15 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 0.85 0.00 0.00 1.15 0.00 0.00 109 R 8.90 5.32 0.00 1.92 2.03 0.00 3.05 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 110 F 8.38 5.35 0.00 3.28 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 0.00 111 N 9.27 5.30 0.00 2.75 2.78 0.00 0.00 6.84 8.42 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 0.00 112 W 8.46 6.16 0.00 3.69 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 0.00 113 H 9.24 5.32 0.00 3.24 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 9.73 5.13 4.64 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 1.33 0.00 0.00 115 L 8.72 5.31 0.00 1.64 1.62 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.11 5.36 0.00 4.22 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 0.00 117 Y 9.38 5.17 0.00 3.10 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 0.00 118 R 7.87 4.45 0.00 1.76 1.23 0.00 3.40 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 119 Y 8.47 3.88 0.00 2.94 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 0.00 120 K 7.64 4.38 0.00 1.51 1.62 0.00 1.32 0.00 0.00 1.42 0.00 0.00 2.59 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.80 0.21 7.81 121 T 7.49 4.56 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 1.25 0.00 0.00 122 V 8.42 4.77 2.17 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 0.99 0.00 0.00 1.10 0.00 0.00 123 S 9.18 4.88 0.00 3.91 3.55 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 0.00 124 S 8.42 5.44 0.00 3.75 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 0.00 125 Y 9.16 5.17 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.77 4.60 0.00 2.85 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 0.00 127 G 6.85 4.48 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 0.00 *129 S 8.16 4.62 0.00 2.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 9.17 5.09 0.00 1.94 1.94 0.00 2.99 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 131 Y 9.28 5.55 0.00 3.01 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 0.00 132 A 8.97 5.26 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 0.00 133 I 9.01 4.74 1.97 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.06 -0.12 0.00 0.00 134 D 9.14 4.91 0.00 2.69 2.54 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 0.00 0.00 0.00 135 F 9.35 4.64 0.00 2.97 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 0.00 136 S 8.90 4.31 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 0.00 137 G 7.62 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 0.00 138 D 8.59 4.44 0.00 2.68 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 0.00 139 A 7.51 4.74 1.18 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 0.00 140 P 0.00 4.10 0.00 0.49 0.49 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 141 K 8.04 4.52 0.00 1.45 1.59 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 142 I 8.80 3.89 1.10 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 0.95 0.59 0.71 0.00 0.00 143 V 9.08 3.96 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 0.93 0.00 0.00 0.90 0.00 0.00 144 S 7.76 5.17 0.00 3.97 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 0.00 145 K 9.49 4.93 0.00 1.37 1.40 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.54 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.62 1.19 7.81 146 Y 9.12 5.23 0.00 3.12 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 0.00 147 V 7.91 4.45 1.90 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 0.92 0.00 0.00 0.71 0.00 0.00 148 V 8.19 3.82 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 0.87 0.00 0.00 0.45 0.00 0.00 149 L 8.45 4.72 0.00 1.82 1.72 1.23 0.83 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 0.00 150 K 8.36 4.03 0.00 1.09 1.49 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.33 7.81 151 N 6.85 4.51 0.00 2.69 2.52 0.00 0.00 6.04 8.06 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 0.00 152 D 7.78 4.41 0.00 2.90 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 *153 Y 7.54 4.12 0.00 2.35 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 0.00 0.00 0.00 *157 L 7.72 4.33 0.00 1.68 1.58 0.92 0.83 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 0.00 158 I 8.12 4.27 1.90 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 1.10 0.70 0.91 0.00 0.00 159 D 7.86 4.79 0.00 2.18 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 0.00 0.00 0.00 160 I 7.87 3.68 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.33 0.69 0.00 0.00 161 Y 7.06 4.32 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 H 7.65 4.66 0.00 2.80 2.73 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.23 3.43 1.48 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.77 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.