NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2658 8.2993 120.1343 56.0325 33.6455 176.0241 3 S 4.2144 8.2962 118.5528 57.4115 64.9321 173.7329 4 A 3.9941 9.1742 125.0247 55.4364 18.5646 180.4882 5 D 4.4528 7.8671 116.4238 57.1748 41.2521 178.4406 6 Q 4.1632 8.0022 119.7691 58.9677 29.0199 178.5826 7 L 4.0329 7.8240 116.7642 55.6877 41.7224 178.8534 *9 S 4.3625 8.0059 115.6812 58.5271 64.2395 175.6440 10 D 4.4020 8.4839 120.4292 57.2825 40.3644 178.7695 11 I 3.6878 8.1330 120.7909 64.4154 37.0445 178.1348 12 Q 3.9539 8.0546 119.8032 59.3812 28.8945 178.3394 13 L 4.0360 7.8589 119.3739 57.6621 41.6373 179.6672 14 S 4.1594 8.3080 115.4221 61.5602 62.7504 176.6764 15 L 4.0350 8.3244 122.1499 57.7165 41.4609 179.3482 16 Q 4.0603 8.4847 119.6551 59.2798 28.9330 178.2559 17 A 4.1016 8.1288 121.7893 54.8256 18.2868 179.7495 18 L 3.9328 8.1361 117.7400 58.1105 41.7536 179.1906 19 F 4.1496 8.6647 121.2313 61.4605 39.0195 176.8356 20 Q 3.6231 7.8620 114.9927 57.9158 28.6105 177.7998 21 K 4.1926 7.4828 120.4573 58.9513 32.2840 179.0700 22 I 3.6799 7.5603 119.2289 64.1146 37.1161 177.6532 23 Q 3.9940 7.6701 119.8486 58.9151 29.0688 176.6773 24 P 4.3743 0.0000 0.0000 65.6412 31.1901 178.0842 25 E 4.1619 7.6964 116.7846 56.5076 29.0126 178.2701 *27 L 4.2290 8.0370 117.9525 54.3488 43.8233 177.9549 28 E 4.0163 8.3090 119.0669 59.5030 29.6486 179.2102 29 S 4.1736 7.9965 110.1736 59.5303 62.4656 175.3336 *31 E 4.2859 8.2121 120.2065 55.9234 31.1611 178.1084 32 K 3.9874 8.1792 118.9861 59.4485 32.2865 177.8966 33 Q 4.0820 7.7638 116.4031 56.7692 28.7561 176.3862 34 G 3.8419 8.0595 105.7193 46.1396 0.0000 173.6251 35 V 4.5306 7.6052 118.0562 60.1104 34.5576 175.5687 36 T 4.3772 8.4959 117.5843 60.5059 70.8205 174.0211 37 P 4.3267 0.0000 0.0000 65.6630 30.8116 178.9393 38 A 4.0519 7.9586 119.2018 55.3291 18.4606 179.5210 39 Q 4.0245 7.9059 116.6565 58.9952 28.7119 178.7839 40 L 4.1124 8.1779 121.4750 58.2179 42.1413 178.8843 41 F 4.0640 8.1420 120.1732 60.9502 39.3832 177.4115 42 V 3.6947 7.6445 117.4989 65.9653 31.3612 178.0081 43 L 3.8336 8.0317 118.4590 57.7010 41.5331 179.2767 44 A 2.9474 8.2852 120.8914 55.1134 18.2347 179.9487 45 S 4.0526 7.9184 113.4851 61.5419 62.7741 176.9459 46 L 3.9750 7.7342 121.5889 57.3234 41.1317 179.1687 47 K 3.7275 7.5881 118.8986 59.4228 32.1175 178.4654 48 K 3.9970 7.6215 118.3073 59.0463 32.2894 177.6390 49 H 4.7839 8.1543 112.8135 55.6924 29.4373 174.6466 50 G 3.9657 9.1106 114.8016 44.8283 0.0000 172.8890 51 S 5.1270 7.5412 114.9313 55.9149 67.2057 173.2375 52 L 5.0090 8.7167 122.5586 52.7220 46.4391 176.3583 53 K 4.6122 9.0003 120.9352 55.6997 33.0694 178.4526 54 V 3.5912 8.6330 122.0180 66.3985 31.3778 178.5622 55 S 4.1349 8.0077 113.3560 61.5964 62.9488 176.2368 56 E 3.9842 8.0858 121.6972 59.1057 29.0539 179.2351 57 I 3.7953 7.5397 118.5322 64.1285 37.5573 177.8926 58 A 4.0997 8.3556 122.0882 55.2786 17.9912 179.5085 59 E 3.9679 8.0172 115.7149 59.5045 29.5685 180.5885 60 R 4.1178 7.4463 113.7038 56.4669 30.7718 177.1308 *62 E 4.1254 8.0596 115.4736 56.5784 30.6411 175.1671 63 V 4.5347 7.4284 110.0136 58.9962 36.4352 176.3373 64 K 4.2034 8.2203 120.0931 55.6788 32.8753 176.6046 65 P 4.2403 0.0000 0.0000 65.9998 31.1036 178.9350 66 S 4.1060 8.2175 112.0940 61.6043 62.3171 176.4895 67 A 3.9601 7.6048 123.0980 55.0363 18.2606 179.5567 68 V 3.6701 7.6727 115.0061 66.2858 31.9706 177.9047 69 T 4.0889 8.0771 115.8103 66.2377 68.2076 176.9881 70 L 4.0987 7.6055 119.8180 55.0108 41.6472 178.9599 *72 A 4.2844 8.0430 124.1408 52.3260 20.8868 179.5467 73 D 4.2733 8.1243 114.7989 57.6023 41.2838 178.5289 74 R 3.9229 7.8239 118.8663 59.4043 30.0290 178.4664 75 L 4.0560 7.8732 118.4208 57.5721 41.5792 178.9421 76 E 4.0749 8.4659 119.7245 59.2122 29.3651 178.4750 77 Q 3.9607 7.9651 118.6658 59.2121 29.2342 178.1122 78 K 4.1415 7.9498 116.7808 56.5345 32.2181 176.5556 79 N 4.3447 8.0029 116.8359 54.7269 37.8808 174.5525 80 L 4.6990 8.1126 118.0802 55.0467 43.3001 176.3922 81 I 5.1840 7.7007 109.9982 59.0347 41.2976 174.2498 82 A 4.8603 9.1384 124.0433 50.1851 22.0838 175.3972 83 R 5.1492 8.5493 119.5237 54.6830 32.2563 175.5761 84 T 4.7459 8.6235 113.0939 59.8922 73.0752 172.6205 85 H 4.8217 8.6633 119.4247 55.3820 29.4593 175.2466 86 N 4.9358 9.3794 122.6428 53.3579 39.5392 176.1445 87 T 3.9409 8.5676 115.1616 64.5617 69.5567 175.9888 88 K 3.9786 8.1866 122.2548 58.4679 32.4427 176.3703 89 D 4.6579 7.9743 119.4707 52.2468 43.0087 175.8604 90 R 4.3623 8.5794 125.9035 58.5491 30.2622 178.3367 91 R 4.1326 8.1501 115.6418 57.6517 30.4992 176.6497 92 V 4.1794 7.8471 119.2742 61.9513 33.0014 174.5140 93 I 4.8173 8.1752 126.7515 59.8972 39.3895 174.2628 94 D 4.9866 9.0047 127.0331 53.2014 43.0253 175.3515 95 L 5.1430 8.9823 122.7148 53.3191 44.3943 175.7357 96 S 5.0248 8.6480 116.2677 56.6830 66.9636 173.3421 97 L 4.5126 7.7636 120.7937 55.1088 42.2817 177.2683 98 T 4.3871 8.2932 112.2636 60.6931 71.0699 175.4559 99 D 4.4056 8.6723 121.3201 57.5045 40.6829 178.8874 100 E 4.1240 8.2344 118.9434 59.3212 29.4225 179.4633 101 G 4.0964 8.0813 107.2569 47.1584 0.0000 175.3229 102 D 4.4063 8.2071 120.4025 57.2391 41.1968 178.4817 103 I 3.7109 7.8637 120.2475 64.1784 37.1605 178.1198 104 K 3.8580 8.4162 120.8980 59.6265 32.0192 178.3396 105 F 4.2201 8.5251 120.9252 61.5993 39.2532 176.9894 106 E 3.7726 8.3347 118.0760 59.2465 29.2206 179.1253 107 E 3.9015 8.3985 118.9783 59.3302 29.5685 179.6454 108 V 3.5314 7.7796 118.2459 65.9498 31.6260 178.1315 109 L 3.8156 7.5897 118.5260 57.6581 41.3537 179.3894 110 A 4.1181 8.2350 121.0321 54.7774 18.1676 179.9604 111 G 3.5384 7.9093 104.5501 47.9153 0.0000 176.3251 112 R 3.9619 7.6750 119.4254 58.8803 30.2113 178.6716 113 K 4.0534 7.8780 118.2836 59.4068 32.5720 178.4691 114 A 4.1835 8.0832 121.1895 54.9046 18.0602 179.6889 115 I 3.9075 7.3958 114.9144 62.4222 36.8520 177.7615 *117 A 4.2122 7.9640 125.5792 52.2293 19.8937 180.0250 118 R 3.5708 7.9187 115.2235 59.8063 29.8274 178.3736 119 Y 4.1562 7.7941 116.5135 60.7004 37.7371 178.1687 120 L 4.2049 7.4604 116.3513 56.4746 41.8490 178.9424 121 S 4.0679 7.5378 113.3932 60.7793 62.8251 175.9113 122 F 4.6021 7.0938 120.0903 58.2474 39.0033 174.9813 123 L 4.8852 7.2312 118.9711 52.7874 43.5209 176.3923 124 T 4.2223 8.6913 112.2819 61.0529 69.6410 174.5072 125 E 4.0338 8.7011 122.7637 59.3144 30.1699 177.4247 126 E 4.1184 8.4714 119.2297 59.5340 29.7664 179.9239 127 E 3.9980 7.9789 117.2292 56.4961 28.9244 178.9966 *129 L 4.3693 8.0342 120.9785 55.0205 43.9402 179.5495 130 Q 4.0275 8.2056 117.5154 58.8805 28.5373 178.5261 131 A 3.9980 8.5580 122.1125 54.8273 18.3344 179.6643 132 A 3.9030 7.9095 118.9395 55.5953 18.7505 179.1102 133 H 4.0664 8.2140 116.7823 59.4333 29.9512 177.5128 134 I 3.6349 8.0904 122.0748 64.5594 36.9795 178.5506 135 T 3.8361 8.0765 110.4524 64.7402 68.5770 176.1128 136 A 3.9527 8.0877 123.9161 54.8624 18.3050 179.6019 137 K 3.8916 7.8947 117.6581 59.4678 32.4026 179.0522 138 L 3.9695 8.0356 119.1498 57.6751 41.2830 179.3485 139 A 4.0436 7.8983 119.8435 55.2014 18.4765 179.1151 140 Q 4.0593 7.9040 115.6782 57.9253 29.2081 177.7880 141 A 4.1162 7.6524 120.8915 54.7704 18.8130 177.0204 142 A 4.2697 7.3596 122.2526 52.2994 19.2958 176.0168 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 4.27 0.00 1.76 1.82 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 3 S 8.30 4.21 0.00 4.13 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 4 A 9.17 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.87 4.45 0.00 2.70 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 6 Q 8.00 4.16 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.14 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 7 L 7.82 4.03 0.00 1.92 1.67 0.92 0.65 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 *9 S 8.01 4.36 0.00 4.02 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 0.00 10 D 8.48 4.40 0.00 2.81 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 11 I 8.13 3.69 1.93 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 0.76 0.91 0.00 0.00 12 Q 8.05 3.95 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 13 L 7.86 4.04 0.00 1.76 1.71 0.96 1.00 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 14 S 8.31 4.16 0.00 4.00 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 15 L 8.32 4.03 0.00 1.81 1.71 0.91 0.74 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 16 Q 8.48 4.06 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 17 A 8.13 4.10 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 18 L 8.14 3.93 0.00 1.97 1.70 0.97 0.94 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 19 F 8.66 4.15 0.00 3.03 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 20 Q 7.86 3.62 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 21 K 7.48 4.19 0.00 2.12 2.03 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.49 7.81 22 I 7.56 3.68 1.68 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.19 0.77 0.00 0.00 23 Q 7.67 3.99 0.00 1.32 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 24 P 0.00 4.37 0.00 2.26 2.23 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 25 E 7.70 4.16 0.00 2.18 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 2.35 2.32 0.00 *27 L 8.04 4.23 0.00 1.95 1.75 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.31 4.02 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 2.31 2.26 0.00 29 S 8.00 4.17 0.00 3.99 3.82 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 *31 E 8.21 4.29 0.00 2.25 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 2.31 2.53 0.00 32 K 8.18 3.99 0.00 1.81 2.02 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 33 Q 7.76 4.08 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.75 2.39 0.00 34 G 8.06 3.84 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 0.00 0.00 0.00 35 V 7.61 4.53 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 0.96 0.00 0.00 0.98 0.00 0.00 36 T 8.50 4.38 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 1.23 0.00 0.00 37 P 0.00 4.33 0.00 2.22 2.20 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 38 A 7.96 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.91 4.02 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 40 L 8.18 4.11 0.00 1.97 1.96 1.14 0.73 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 41 F 8.14 4.06 0.00 3.27 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 42 V 7.64 3.69 2.29 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 0.99 0.00 0.00 1.05 0.00 0.00 43 L 8.03 3.83 0.00 1.88 1.55 1.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.29 2.95 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 45 S 7.92 4.05 0.00 3.92 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 46 L 7.73 3.97 0.00 1.62 1.65 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.59 3.73 0.00 1.31 1.57 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.45 7.81 48 K 7.62 4.00 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.03 1.26 7.81 49 H 8.15 4.78 0.00 3.17 3.30 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.11 3.97 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 0.00 0.00 0.00 51 S 7.54 5.13 0.00 3.70 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 52 L 8.72 5.01 0.00 1.55 1.47 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.00 4.61 0.00 1.71 1.72 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.35 7.81 54 V 8.63 3.59 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 1.15 0.00 0.00 0.92 0.00 0.00 55 S 8.01 4.13 0.00 4.08 4.10 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 56 E 8.09 3.98 0.00 2.18 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 2.38 2.39 0.00 57 I 7.54 3.80 2.02 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 1.50 0.58 0.97 0.00 0.00 58 A 8.36 4.10 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 59 E 8.02 3.97 0.00 2.15 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 2.34 2.51 0.00 60 R 7.45 4.12 0.00 2.12 2.20 0.00 3.25 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 *62 E 8.06 4.13 0.00 1.91 1.95 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 2.18 2.42 0.00 63 V 7.43 4.53 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 0.60 0.00 0.00 0.85 0.00 0.00 64 K 8.22 4.20 0.00 1.80 1.71 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.44 7.81 65 P 0.00 4.24 0.00 2.14 2.10 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 66 S 8.22 4.11 0.00 4.03 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 67 A 7.60 3.96 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 68 V 7.67 3.67 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 0.91 0.00 0.00 0.98 0.00 0.00 69 T 8.08 4.09 4.41 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 1.21 0.00 0.00 70 L 7.61 4.10 0.00 1.84 1.67 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 8.04 4.28 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 D 8.12 4.27 0.00 2.93 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 74 R 7.82 3.92 0.00 1.95 1.91 0.00 3.21 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 1.63 1.72 0.00 75 L 7.87 4.06 0.00 1.74 1.71 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.47 4.07 0.00 2.14 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 0.00 2.30 2.31 0.00 77 Q 7.97 3.96 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 78 K 7.95 4.14 0.00 1.94 1.86 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.54 7.81 79 N 8.00 4.34 0.00 2.84 2.92 0.00 0.00 7.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.11 4.70 0.00 1.65 1.71 0.95 0.57 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 81 I 7.70 5.18 1.97 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 1.18 0.65 0.91 0.00 0.00 82 A 9.14 4.86 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 83 R 8.55 5.15 0.00 1.65 1.81 0.00 3.15 0.00 0.00 3.61 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 84 T 8.62 4.75 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 85 H 8.66 4.82 0.00 3.05 3.36 0.00 5.90 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 86 N 9.38 4.94 0.00 2.84 2.99 0.00 0.00 6.83 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 87 T 8.57 3.94 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 1.22 0.00 0.00 88 K 8.19 3.98 0.00 1.78 2.05 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.37 7.81 89 D 7.97 4.66 0.00 2.65 2.47 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 90 R 8.58 4.36 0.00 1.83 1.95 0.00 3.53 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 91 R 8.15 4.13 0.00 1.92 2.00 0.00 3.16 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 92 V 7.85 4.18 2.22 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 1.03 0.00 0.00 0.93 0.00 0.00 93 I 8.18 4.82 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.27 0.88 0.00 0.00 94 D 9.00 4.99 0.00 2.57 2.56 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 95 L 8.98 5.14 0.00 1.62 1.54 0.92 0.76 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 96 S 8.65 5.02 0.00 3.85 3.97 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 97 L 7.76 4.51 0.00 1.56 1.63 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.29 4.39 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 1.24 0.00 0.00 99 D 8.67 4.41 0.00 2.72 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 0.00 100 E 8.23 4.12 0.00 2.23 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 2.45 0.00 101 G 8.08 4.10 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 0.00 0.00 0.00 102 D 8.21 4.41 0.00 2.84 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 0.00 103 I 7.86 3.71 2.04 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 1.42 0.53 0.92 0.00 0.00 104 K 8.42 3.86 0.00 1.93 2.06 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 105 F 8.53 4.22 0.00 3.20 3.26 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 0.00 106 E 8.33 3.77 0.00 2.03 1.93 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 2.61 2.52 0.00 107 E 8.40 3.90 0.00 2.19 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 2.44 0.00 108 V 7.78 3.53 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 0.99 0.00 0.00 1.00 0.00 0.00 109 L 7.59 3.82 0.00 1.62 1.49 0.47 0.29 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 0.00 110 A 8.24 4.12 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 0.00 111 G 7.91 3.54 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 0.00 0.00 0.00 112 R 7.67 3.96 0.00 1.94 1.98 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 113 K 7.88 4.05 0.00 1.78 1.86 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 114 A 8.08 4.18 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 0.00 115 I 7.40 3.91 2.05 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 1.52 0.77 1.12 0.00 0.00 *117 A 7.96 4.21 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 0.00 118 R 7.92 3.57 0.00 1.93 1.87 0.00 2.99 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.40 0.00 119 Y 7.79 4.16 0.00 3.11 3.12 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 0.00 120 L 7.46 4.20 0.00 1.69 1.71 0.94 0.82 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 0.00 121 S 7.54 4.07 0.00 3.87 3.97 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 0.00 122 F 7.09 4.60 0.00 3.07 3.03 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 0.00 123 L 7.23 4.89 0.00 1.75 1.62 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.69 4.22 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 0.00 125 E 8.70 4.03 0.00 1.95 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 2.30 2.30 0.00 126 E 8.47 4.12 0.00 2.04 1.95 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 2.39 2.36 0.00 127 E 7.98 4.00 0.00 2.29 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 *129 L 8.03 4.37 0.00 1.89 1.77 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.21 4.03 0.00 2.32 2.17 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 2.39 2.59 0.00 131 A 8.56 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 0.00 132 A 7.91 3.90 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 0.00 133 H 8.21 4.07 0.00 3.29 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.09 3.63 1.95 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 1.60 0.90 0.91 0.00 0.00 135 T 8.08 3.84 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 1.24 0.00 0.00 136 A 8.09 3.95 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 0.00 137 K 7.89 3.89 0.00 1.80 1.76 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 138 L 8.04 3.97 0.00 1.86 1.68 0.91 0.60 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 0.00 139 A 7.90 4.04 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 0.00 140 Q 7.90 4.06 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 141 A 7.65 4.12 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 0.00 142 A 7.36 4.27 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.