NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6685 8.4244 118.1244 53.2827 40.2126 174.2797 6 T 4.0801 8.0254 115.3928 61.0411 69.6091 173.9081 7 D 4.3852 9.4581 126.4704 58.0559 41.3311 178.9244 8 T 3.8438 7.8872 115.5471 66.6590 68.4704 176.0940 9 E 3.9717 7.9771 120.7398 59.2411 29.7884 178.4381 10 N 4.3805 8.3814 116.7438 56.0886 38.4852 177.5075 11 I 3.7044 8.0539 121.5660 64.4963 37.1599 178.4595 12 S 4.1059 7.9112 115.7829 61.6475 62.6719 176.4415 13 E 3.8787 8.1527 121.7574 59.1380 29.3097 178.6367 14 L 3.6930 7.9073 120.1596 58.1824 42.1899 178.8811 15 L 4.1944 8.2448 119.2921 57.8931 41.5718 179.7421 16 K 4.1020 8.4284 118.6974 59.6576 31.8831 179.6789 17 T 3.9563 7.9024 116.0604 66.8823 68.4485 176.3353 18 Y 4.4661 8.2302 119.0763 61.0343 37.9299 178.6719 19 W 4.1228 8.6405 129.1781 60.6227 30.8394 177.9689 20 S 4.0069 8.5921 113.0595 61.4794 61.7720 176.2007 21 I 3.7740 8.1020 122.7146 64.3182 36.8185 178.2366 22 Q 3.8632 8.1050 120.6217 58.9334 28.4249 178.1344 23 R 3.5520 7.5009 119.8289 59.3327 29.8729 178.6607 24 I 3.7456 7.6740 119.6490 64.4136 37.1308 178.6207 25 S 4.2869 8.4567 116.1426 61.4225 62.6093 176.5621 26 A 4.0875 8.1660 123.8303 55.0359 18.1253 179.8859 27 G 3.4077 7.6428 103.0074 48.2022 0.0000 175.6081 28 Y 4.1453 7.7126 118.8918 60.4927 37.7648 178.2242 29 A 4.0872 8.1195 122.0793 55.1377 18.4559 179.4440 30 D 4.2246 8.1785 117.4743 57.5881 41.0064 178.9589 31 Q 3.7169 7.8110 118.4834 58.7189 28.3484 178.4878 32 N 4.4300 8.0386 118.1583 56.0131 39.3882 176.3422 33 A 4.1178 8.1578 122.1473 55.3365 18.3752 179.2591 34 A 3.9404 7.9368 119.3399 55.5166 18.4655 179.9316 35 S 4.2650 7.9912 111.5879 60.6095 63.0475 175.5970 36 L 4.5839 7.8359 120.7813 54.1351 41.8891 177.3855 37 G 3.9477 7.7804 107.1211 45.3308 0.0000 173.2255 38 L 4.9984 7.4240 117.8687 52.4043 45.2799 176.7271 39 T 4.3415 8.5229 111.4536 61.0894 71.2769 176.0073 40 I 3.7050 8.1760 122.2530 64.6503 36.8300 178.8126 41 Q 3.9917 7.9057 117.7366 58.9615 28.7729 177.9596 42 Q 4.1528 8.0214 118.1046 59.1207 28.9781 178.7845 43 L 4.1871 8.1773 119.7148 57.3922 41.5928 179.6201 44 A 4.2243 7.9417 117.1423 53.1796 18.1269 179.0447 *46 I 4.0814 7.6731 122.7504 62.8978 39.2447 178.0614 47 N 4.4485 8.4170 117.8369 56.1554 38.2547 177.7254 48 V 3.6195 7.9154 119.7136 66.2170 31.4669 178.2804 49 I 3.8150 7.7292 117.6985 64.3004 37.0027 177.3692 50 Y 4.3914 7.8490 120.3437 60.6130 38.7752 177.6432 51 S 4.2963 7.8279 113.2936 59.6824 65.1614 174.6157 52 T 4.6029 7.5924 118.8113 60.7514 68.8608 170.8647 53 P 4.4314 0.0000 0.0000 64.0301 32.2649 177.8642 54 G 3.9007 9.0555 110.4914 45.1889 0.0000 173.5023 55 I 3.8117 7.5002 120.0980 60.8061 38.7490 175.1864 56 S 5.0976 8.2468 120.2949 57.3037 65.9030 175.4553 57 V 3.5634 8.7445 123.3149 66.1199 31.3842 178.2591 58 A 3.9975 8.0290 120.0361 55.4855 18.2240 179.0302 59 D 4.4799 8.1431 116.6684 56.4732 41.0213 178.9088 60 L 3.9547 8.2120 122.0779 58.1576 42.0731 178.9430 61 T 3.9204 8.0617 112.2281 65.6208 68.4276 177.1748 62 K 3.9797 7.4028 124.6801 59.1944 31.7251 180.4835 63 R 4.2733 7.8479 118.5468 59.1392 30.1522 178.0376 64 L 4.1320 8.0330 116.9524 54.5193 43.0144 176.5102 65 I 3.2322 7.7230 119.2292 62.4083 34.5570 171.8798 66 I 4.7017 7.0542 111.6205 58.7254 41.5541 175.6711 67 T 4.1183 7.8427 116.8977 63.3360 69.0530 176.3097 68 G 3.6974 8.7190 112.3007 48.5456 0.0000 177.1019 69 S 4.1869 7.9855 120.7875 63.0881 62.4635 179.1385 70 S 4.2911 8.0066 117.6013 61.2144 62.8758 176.1575 71 A 3.9887 7.8848 123.9451 54.8590 18.1877 179.5262 72 A 3.9153 8.0826 118.9906 54.9712 18.4182 179.8605 73 A 3.9008 7.9467 119.3964 55.4990 18.5784 179.5284 74 N 4.2755 8.6603 115.4021 56.4672 38.5949 177.8587 75 V 3.5800 8.0770 119.7796 66.1061 31.6216 177.6459 76 D 4.4570 8.1526 117.7781 57.0712 41.0132 178.4192 77 G 3.6060 8.2105 106.3847 47.9342 0.0000 175.7984 78 L 4.0935 8.0331 121.6281 57.2044 41.5207 179.7645 79 I 3.9474 7.7958 120.1773 64.3282 36.8319 178.4123 80 S 4.1607 8.2190 115.5301 61.5508 62.8011 176.0803 81 L 4.3418 7.8691 118.2046 54.5474 41.4133 177.7030 82 G 3.9346 7.6719 106.9240 46.2089 0.0000 174.7391 83 L 4.4014 7.9235 121.1183 55.7822 42.8557 176.9952 84 V 4.9561 7.7260 110.0178 59.4829 35.8879 175.3684 85 V 4.5530 8.9256 115.5983 59.3862 35.2163 175.4629 86 K 4.5677 8.6741 123.9044 56.5549 32.5444 177.0472 87 L 4.4115 8.8582 125.5036 56.0214 42.4215 177.6909 88 N 4.4927 7.8897 118.6161 51.9834 40.0170 180.0249 89 K 4.1353 8.5380 127.3305 51.8633 32.1276 171.6682 *92 P 4.2218 0.0000 0.0000 61.3844 31.2186 176.9710 93 N 4.2887 8.8720 124.6794 56.5592 38.6647 176.6556 *94 D 4.7869 7.8933 114.4640 52.9090 40.3248 181.8075 95 S 4.4073 7.4711 116.9722 59.1642 63.3331 174.3969 *97 D 4.6095 8.5204 117.7842 53.6172 42.7486 175.2610 98 L 4.2735 7.5893 122.5099 55.2406 43.2445 175.6966 99 T 5.1978 8.5388 115.3902 60.0551 72.0006 172.9192 100 L 5.4409 8.7458 122.4516 53.0477 46.4970 175.5066 101 K 4.9759 8.6717 119.7850 54.9897 36.4847 175.3902 102 L 4.7941 8.5166 121.0816 54.5298 42.9171 177.9508 103 S 4.5015 8.6524 118.2932 57.2681 65.6644 175.3170 104 K 3.8988 8.4221 121.1544 59.7529 31.9414 178.4338 105 K 3.9874 8.1288 119.5196 59.3271 32.1147 178.7045 106 G 3.6149 8.0529 106.0199 47.8010 0.0000 175.5112 107 E 3.7252 8.1150 121.0632 59.0632 29.5330 179.0111 108 D 4.2971 8.2041 119.0646 57.6494 40.9703 179.1628 109 L 3.9997 7.8117 119.1286 57.3940 41.5790 179.3447 110 S 3.9650 7.9468 113.2590 61.3807 62.2917 176.2856 111 K 3.7844 7.8665 121.0664 59.7725 31.6133 179.5788 112 R 3.9702 7.6657 116.4965 58.8310 29.9683 178.6983 113 S 4.2908 7.8492 113.0230 61.1950 62.4329 175.8095 114 T 4.1510 7.7732 111.6713 63.5260 70.2325 175.5713 115 A 4.3618 7.6129 125.9775 50.1147 17.1917 176.0865 116 N 4.4371 8.0568 117.2235 52.8475 38.9726 174.2179 117 A 4.0181 8.5859 130.0908 55.1148 18.7151 178.7023 118 F 4.2338 8.4795 114.0760 58.5181 38.7933 177.3247 *120 Y 4.1853 8.1840 121.4583 58.6821 39.5542 177.4722 121 K 3.9533 7.9203 119.1092 57.6267 32.1644 179.3502 122 A 4.2113 7.1758 124.4025 52.2064 16.2745 177.6584 *125 K 4.2574 7.8556 121.7159 55.7657 34.9983 179.1913 126 V 3.6930 7.6929 118.5318 66.0487 31.9411 178.0291 127 F 4.2851 8.5010 118.0585 60.6778 38.8823 177.4121 128 E 4.1081 7.8937 118.4003 58.6990 29.3215 177.3730 129 N 4.9268 8.2513 114.8996 52.6105 38.8055 174.3960 130 L 4.9679 7.4377 117.4549 52.5815 45.1958 177.1874 131 T 4.3374 9.3832 115.1676 61.6351 71.1805 176.3766 132 E 3.9010 8.6457 121.2538 61.6771 29.6731 180.3268 133 N 4.5437 8.0350 116.7898 56.1658 38.6054 177.2756 134 E 3.9407 8.2879 120.0779 59.3416 29.5739 179.4509 135 I 3.4724 7.7176 122.3612 64.9119 37.1054 179.0208 136 E 3.9847 7.8886 118.7662 61.1413 29.5434 180.8939 137 E 4.1911 8.1412 119.5077 58.8414 29.5263 179.0058 138 L 3.9158 8.2265 120.9196 58.3535 42.1792 179.2291 139 I 3.7401 7.6187 119.3924 64.3010 37.0793 178.4703 140 R 3.8888 8.0564 119.4584 59.4671 29.9661 178.6232 141 L 4.0252 8.3891 119.1449 57.8737 41.6174 179.2066 142 N 4.4408 8.2855 116.4497 56.2660 38.4835 177.3029 143 K 3.9155 8.2248 121.0040 59.3354 32.1757 178.6937 144 K 4.0848 8.0662 121.2227 58.9025 32.1126 178.8932 145 V 3.5932 7.8801 118.5099 65.9902 31.4683 177.5111 146 E 3.9186 8.3543 119.2901 59.5136 29.3580 178.8757 147 T 3.8684 8.0558 109.7993 64.9945 68.6617 176.4936 148 L 4.0271 8.2309 122.0990 57.1731 40.9314 179.4400 149 L 4.0256 8.1337 119.2153 57.7232 41.4149 179.3879 150 K 4.1879 7.8740 116.2594 58.0612 31.9669 179.1343 151 K 4.2334 7.5660 121.5702 59.7247 32.4512 177.5486 152 S 4.3451 7.3000 115.2091 58.2891 62.2462 175.5194 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 5 N 8.42 4.67 0.00 2.77 2.81 0.00 0.00 6.89 6.65 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 6 T 8.03 4.08 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 7 D 9.46 4.39 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 8 T 7.89 3.84 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 9 E 7.98 3.97 0.00 2.07 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 2.36 2.44 0.00 10 N 8.38 4.38 0.00 2.91 2.83 0.00 0.00 7.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.05 3.70 1.88 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 1.54 0.85 0.93 0.00 0.00 12 S 7.91 4.11 0.00 4.04 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 13 E 8.15 3.88 0.00 2.19 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 14 L 7.91 3.69 0.00 1.79 1.75 0.36 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.24 4.19 0.00 1.74 1.79 0.96 1.00 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 16 K 8.43 4.10 0.00 2.10 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 17 T 7.90 3.96 4.21 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 1.19 0.00 0.00 18 Y 8.23 4.47 0.00 3.21 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 19 W 8.64 4.12 0.00 3.58 3.48 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 20 S 8.59 4.01 0.00 4.25 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.10 3.77 2.10 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 1.46 0.71 0.96 0.00 0.00 22 Q 8.10 3.86 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 23 R 7.50 3.55 0.00 0.97 1.65 0.00 3.05 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.00 24 I 7.67 3.75 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.56 1.07 0.00 0.00 25 S 8.46 4.29 0.00 4.12 3.93 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 26 A 8.17 4.09 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 27 G 7.64 3.41 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 0.00 28 Y 7.71 4.15 0.00 3.15 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 29 A 8.12 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.18 4.22 0.00 2.81 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 31 Q 7.81 3.72 0.00 1.76 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 32 N 8.04 4.43 0.00 3.17 3.06 0.00 0.00 7.10 7.98 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 33 A 8.16 4.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.94 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 35 S 7.99 4.26 0.00 4.30 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 36 L 7.84 4.58 0.00 1.78 1.75 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.78 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 38 L 7.42 5.00 0.00 1.59 1.54 0.91 0.97 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 39 T 8.52 4.34 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 1.20 0.00 0.00 40 I 8.18 3.71 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 1.62 0.94 0.90 0.00 0.00 41 Q 7.91 3.99 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 42 Q 8.02 4.15 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 43 L 8.18 4.19 0.00 1.84 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.94 4.22 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 *46 I 7.67 4.08 2.01 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 1.66 0.79 0.88 0.00 0.00 47 N 8.42 4.45 0.00 2.94 2.91 0.00 0.00 6.69 8.31 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 48 V 7.92 3.62 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 1.05 0.00 0.00 1.01 0.00 0.00 49 I 7.73 3.82 2.04 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 1.55 0.68 0.95 0.00 0.00 50 Y 7.85 4.39 0.00 2.99 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 51 S 7.83 4.30 0.00 3.98 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 52 T 7.59 4.60 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 53 P 0.00 4.43 0.00 2.16 2.04 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 54 G 9.06 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 0.00 0.00 0.00 55 I 7.50 3.81 2.03 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 1.36 1.33 0.95 0.00 0.00 56 S 8.25 5.10 0.00 4.08 3.96 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 57 V 8.74 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 58 A 8.03 4.00 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 59 D 8.14 4.48 0.00 2.72 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 60 L 8.21 3.95 0.00 1.88 1.89 0.93 0.57 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 61 T 8.06 3.92 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 1.27 0.00 0.00 62 K 7.40 3.98 0.00 2.00 1.77 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.32 7.81 63 R 7.85 4.27 0.00 1.93 1.99 0.00 3.23 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 64 L 8.03 4.13 0.00 1.67 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.72 3.23 1.88 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 1.48 0.52 0.92 0.00 0.00 66 I 7.05 4.70 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 1.58 0.66 0.96 0.00 0.00 67 T 7.84 4.12 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 1.21 0.00 0.00 68 G 8.72 3.70 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 0.00 0.00 0.00 69 S 7.99 4.19 0.00 3.75 3.88 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 70 S 8.01 4.29 0.00 4.04 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 71 A 7.88 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 72 A 8.08 3.92 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 73 A 7.95 3.90 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 74 N 8.66 4.28 0.00 2.97 2.89 0.00 0.00 6.73 7.58 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 75 V 8.08 3.58 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 76 D 8.15 4.46 0.00 2.92 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 77 G 8.21 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.03 4.09 0.00 1.85 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.80 3.95 2.02 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 1.53 0.73 0.91 0.00 0.00 80 S 8.22 4.16 0.00 3.95 3.93 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 81 L 7.87 4.34 0.00 1.63 1.70 0.92 0.72 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 82 G 7.67 3.93 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 0.00 0.00 0.00 83 L 7.92 4.40 0.00 1.73 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.73 4.96 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 0.74 0.00 0.00 0.96 0.00 0.00 85 V 8.93 4.55 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 0.78 0.00 0.00 1.00 0.00 0.00 86 K 8.67 4.57 0.00 1.64 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 87 L 8.86 4.41 0.00 1.53 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.89 4.49 0.00 2.70 2.56 0.00 0.00 6.62 7.44 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 89 K 8.54 4.14 0.00 1.77 1.65 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 0.99 7.81 *92 P 0.00 4.22 0.00 2.23 2.31 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 93 N 8.87 4.29 0.00 2.73 2.98 0.00 0.00 6.98 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 *94 D 7.89 4.79 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 95 S 7.47 4.41 0.00 3.80 3.88 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 *97 D 8.52 4.61 0.00 2.99 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 98 L 7.59 4.27 0.00 1.81 1.68 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.54 5.20 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 1.21 0.00 0.00 100 L 8.75 5.44 0.00 1.59 1.54 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.67 4.98 0.00 1.81 1.86 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.41 7.81 102 L 8.52 4.79 0.00 1.66 1.68 1.10 1.01 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 0.00 103 S 8.65 4.50 0.00 4.05 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 0.00 104 K 8.42 3.90 0.00 1.90 1.85 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.56 7.81 105 K 8.13 3.99 0.00 1.90 1.78 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.56 7.81 106 G 8.05 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.11 3.73 0.00 2.23 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 2.58 2.62 0.00 108 D 8.20 4.30 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.81 4.00 0.00 1.67 1.68 0.91 0.78 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 0.00 110 S 7.95 3.97 0.00 3.74 3.46 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 0.00 111 K 7.87 3.78 0.00 1.93 1.78 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.32 7.81 112 R 7.67 3.97 0.00 1.78 1.98 0.00 3.12 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 113 S 7.85 4.29 0.00 3.95 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 0.00 114 T 7.77 4.15 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 1.29 0.00 0.00 115 A 7.61 4.36 1.19 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 0.00 0.00 116 N 8.06 4.44 0.00 2.80 2.93 0.00 0.00 7.26 7.96 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 0.00 117 A 8.59 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.48 4.23 0.00 3.37 3.29 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 *120 Y 8.18 4.19 0.00 2.96 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 0.00 121 K 7.92 3.95 0.00 1.80 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.27 7.81 122 A 7.18 4.21 0.77 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 0.00 0.00 *125 K 7.86 4.26 0.00 2.11 1.93 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.01 7.81 126 V 7.69 3.69 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 1.16 0.00 0.00 0.99 0.00 0.00 127 F 8.50 4.29 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.89 4.11 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 129 N 8.25 4.93 0.00 2.84 2.83 0.00 0.00 6.77 8.69 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 0.00 130 L 7.44 4.97 0.00 1.62 1.41 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 131 T 9.38 4.34 4.21 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 1.23 0.00 0.00 132 E 8.65 3.90 0.00 1.99 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 2.32 1.99 0.00 133 N 8.03 4.54 0.00 2.69 2.86 0.00 0.00 7.14 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 0.00 134 E 8.29 3.94 0.00 2.15 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 2.29 2.31 0.00 135 I 7.72 3.47 1.74 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.76 0.36 0.00 0.00 136 E 7.89 3.98 0.00 1.96 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 2.24 2.22 0.00 137 E 8.14 4.19 0.00 1.97 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 2.47 2.43 0.00 138 L 8.23 3.92 0.00 1.81 1.83 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.62 3.74 1.88 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 1.47 0.77 0.94 0.00 0.00 140 R 8.06 3.89 0.00 1.99 1.94 0.00 3.09 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 1.63 1.68 0.00 141 L 8.39 4.03 0.00 1.75 1.72 0.92 0.71 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 0.00 142 N 8.29 4.44 0.00 2.93 2.94 0.00 0.00 6.69 7.04 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 0.00 143 K 8.22 3.92 0.00 2.04 2.01 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 144 K 8.07 4.08 0.00 2.03 2.02 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.32 7.81 145 V 7.88 3.59 2.33 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 1.05 0.00 0.00 1.05 0.00 0.00 146 E 8.35 3.92 0.00 2.06 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 2.30 2.30 0.00 147 T 8.06 3.87 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 1.28 0.00 0.00 148 L 8.23 4.03 0.00 1.86 1.77 0.94 0.66 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 0.00 149 L 8.13 4.03 0.00 1.89 1.72 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.87 4.19 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.62 7.81 151 K 7.57 4.23 0.00 1.83 1.86 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.64 7.81 152 S 7.30 4.35 0.00 3.67 3.63 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 * Residues marked with a * may have inaccurate shift predictions.