NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7005 8.2833 119.2033 53.3526 39.1641 172.1457 4 I 4.7782 7.8606 125.1998 58.9818 41.1999 172.9738 5 T 5.0058 9.0396 122.6632 61.6681 72.5346 172.4262 6 I 4.9059 8.5273 125.8023 59.4365 40.8970 174.0397 7 Y 4.8167 9.3018 128.0103 57.6628 37.7200 173.4269 8 H 5.1403 9.5771 125.2810 54.1637 32.8511 172.9765 9 N 4.8497 8.6299 123.4932 51.0219 39.5990 172.5678 10 P 4.1737 0.0000 0.0000 64.6099 32.0806 177.5367 11 A 4.2981 7.9946 124.0878 50.5525 17.5263 176.6746 *13 G 4.0735 7.7889 112.8460 45.2119 0.0000 173.6332 14 T 3.9309 7.9042 116.5710 66.4515 68.3739 176.5043 15 S 4.1638 8.0389 114.5383 61.3505 62.5723 176.2113 16 R 4.0374 8.0230 120.3201 59.4658 29.9445 178.5560 17 N 4.5529 8.8358 116.5437 56.7038 38.4876 177.6532 18 T 3.8148 8.2056 117.2289 66.4631 68.5859 176.3831 19 L 3.8932 8.0332 122.2530 58.4312 42.0029 178.9966 20 E 4.1145 8.4285 118.2700 59.4455 29.1731 179.2100 21 M 3.4136 7.6681 118.3224 57.9045 32.0935 178.4445 22 I 3.7820 7.7756 120.0756 64.5863 37.2835 178.6584 23 R 4.2038 7.9627 120.0664 58.6488 29.8479 178.1740 24 N 4.5609 8.4596 115.9229 55.0333 38.7801 175.7997 25 S 4.7417 7.9732 114.0353 58.9776 63.6891 174.6852 26 G 3.9860 8.4623 111.4206 45.5275 0.0000 173.2655 27 T 4.5695 7.5204 108.2699 59.2560 71.6636 172.4473 28 E 4.4225 8.5999 124.5090 54.4271 30.0009 174.1083 29 P 4.7472 0.0000 0.0000 62.1601 33.2793 175.8754 30 T 4.0587 9.1464 118.1366 63.6722 69.4790 173.7246 31 I 4.6914 8.3274 126.9370 59.6496 39.4250 174.9164 32 I 4.2162 8.3169 128.8326 59.4635 39.2289 175.7978 33 L 4.6394 8.7751 127.9960 52.9419 39.9495 176.9117 34 Y 4.5755 8.3994 121.0886 59.0426 38.2509 178.7806 35 L 3.9206 7.1002 119.6724 56.5673 41.8029 177.4039 36 E 4.5097 7.9861 114.1281 56.3014 31.9284 175.7099 37 N 5.0724 8.2487 117.1240 50.8189 38.7357 171.9637 38 P 4.7671 0.0000 0.0000 61.4557 32.7503 175.4487 39 P 4.8981 0.0000 0.0000 62.0698 31.9689 176.6427 40 S 4.4218 8.6676 114.5716 57.7250 65.1507 175.0585 41 R 3.8487 8.4883 121.5455 59.8707 29.6674 178.1064 42 D 4.3450 8.0286 117.8665 57.4602 40.7815 178.4442 43 E 3.9657 8.1650 119.0674 59.3125 29.4542 179.2567 44 L 3.8352 8.4491 120.6860 58.0840 42.1053 179.0316 45 V 3.5550 8.1866 118.6740 65.8817 31.3269 177.9315 46 K 3.9012 8.0415 119.2690 59.4131 31.9945 178.6166 47 L 3.9411 8.0261 119.3978 57.9819 40.0221 179.6926 48 I 3.6289 7.6809 119.2324 64.2801 36.9503 178.2493 49 A 4.1598 8.1414 121.7249 55.5200 17.9921 179.5067 50 D 4.3654 8.2018 116.4272 57.5108 40.9785 178.6173 51 M 4.6450 7.7956 120.0635 55.4774 31.8651 177.1041 52 G 3.9000 7.7061 106.3666 46.1081 0.0000 172.9931 53 I 4.5099 6.8660 111.7966 57.9775 40.2400 175.1184 54 S 4.4116 8.2202 115.0314 57.6322 64.0405 175.0970 55 V 3.7051 8.4512 120.7049 66.3962 31.2285 178.2668 56 R 3.9696 8.0683 117.5569 59.2921 29.7254 177.9726 57 A 4.1333 7.7710 119.5397 54.1836 18.6009 178.5465 58 L 4.1295 7.8467 118.2173 55.5585 42.2312 176.1006 59 L 4.6820 7.2653 119.3263 54.8045 42.2742 176.6863 60 A 4.0554 8.8609 127.2086 51.8745 17.3357 177.5577 61 K 2.6611 8.2914 122.1319 55.2078 34.5387 176.3939 62 N 4.9623 8.2314 114.4071 54.8767 35.9643 175.4171 63 V 4.5394 6.8746 108.3536 58.7221 36.2448 175.6080 64 E 4.0608 8.7108 121.7365 59.4103 29.4273 177.7416 65 P 4.0904 0.0000 0.0000 65.4436 31.0486 177.9161 66 Y 3.7780 7.9421 118.0438 60.5843 38.8442 177.9713 67 E 4.0303 8.1540 118.9184 59.8144 29.4954 179.4818 68 Q 4.0162 8.0971 116.5554 58.4344 28.9398 177.2354 69 L 4.0269 7.8238 115.7812 54.3622 41.9973 177.1841 70 G 3.8831 7.8503 107.1832 46.4107 0.0000 175.8232 71 L 3.4069 7.0623 119.5956 55.8996 41.5480 178.5652 72 A 4.1995 7.2002 120.3289 54.0192 18.6362 177.8240 73 E 4.2343 7.8894 115.3844 56.3752 30.4900 177.3314 74 D 4.7666 8.3571 123.2618 53.3427 39.6618 175.8971 75 K 4.4544 7.6745 115.4717 55.3192 34.0821 176.2351 76 F 5.0617 7.9424 117.0370 55.0526 42.4253 175.6365 77 T 4.2381 9.1150 116.5662 61.3269 70.7199 175.3472 78 D 4.4232 8.6313 121.3419 57.9184 40.7654 178.9813 79 D 4.4494 8.0823 118.7018 57.2484 40.8475 178.6521 80 Q 3.8257 8.0758 118.6520 58.8996 28.7361 178.8911 81 L 4.1812 8.0839 119.9176 57.8520 41.6822 179.4558 82 I 3.7130 8.1679 120.1825 64.7525 37.0757 178.2824 83 D 4.3393 8.3147 119.6694 57.1645 40.5268 178.8887 84 F 4.4780 8.1234 118.5221 60.7963 38.4156 177.4268 85 M 4.1423 8.3225 118.3475 58.6434 31.5866 178.8976 86 L 4.0606 7.8865 117.6737 57.8123 41.8549 179.1929 87 Q 4.2730 7.9543 116.7035 57.3126 30.2771 176.2504 88 H 4.9473 8.2375 116.7634 52.8942 29.6176 172.0460 89 P 4.6264 0.0000 0.0000 64.3185 31.8354 178.5544 90 I 3.9869 7.7794 116.9078 63.1441 38.2687 176.5565 91 L 4.1640 8.4647 120.2928 56.9313 41.6899 176.3666 92 I 4.2795 7.6600 120.6160 60.4414 37.1620 175.7954 93 N 4.6904 8.8514 127.1959 53.8286 39.6876 173.9293 94 R 4.7580 8.1029 117.4553 54.0759 32.8858 172.5155 95 P 4.9454 0.0000 0.0000 61.4564 33.7444 174.4962 96 I 4.7392 8.1866 122.2959 60.4379 39.2323 174.7565 97 V 4.8971 8.7312 125.9282 61.1014 34.8534 174.0375 98 V 4.9845 9.0901 128.2661 61.4546 34.0725 174.5025 99 T 5.3622 8.8478 117.0022 57.8804 72.2711 172.9512 100 P 4.3155 0.0000 0.0000 65.1300 31.3150 177.6925 101 L 4.2729 8.3480 116.8203 54.1668 42.3423 176.7195 102 G 4.0247 6.3433 105.7229 45.5685 0.0000 170.5211 103 T 5.2171 7.6796 114.7973 61.8192 72.0340 173.8760 104 R 4.7377 8.8324 123.6957 54.1528 35.0727 174.2912 105 L 4.3974 8.5430 124.8842 54.8658 42.3803 177.3410 106 C 4.5009 8.9788 129.4173 58.4736 26.5019 173.2424 107 R 4.6113 7.5756 116.3084 53.3285 32.4059 174.2265 108 P 4.5933 0.0000 0.0000 61.6846 32.5949 177.4703 109 S 4.4443 8.9348 115.4072 60.8802 62.5586 175.7814 110 E 4.1462 8.0914 119.0396 57.4379 29.4912 178.3835 111 V 3.5877 7.9419 120.7396 66.4411 31.5307 178.0276 112 V 3.5884 7.8139 118.5062 64.5552 30.6917 178.2916 113 L 4.0104 7.9154 119.6475 57.5373 41.0864 179.0401 114 D 4.3372 8.1242 119.0978 56.4841 40.8697 177.1583 115 I 4.2510 7.3101 109.3131 60.3601 38.4155 175.4790 116 L 4.2318 7.2309 122.6289 54.5147 41.9711 177.1715 117 Q 4.1072 8.8034 123.1997 58.2250 29.0616 176.2860 118 D 4.8462 7.6841 115.7292 52.0666 42.7736 176.1767 119 A 4.2021 8.2441 125.1172 51.7124 19.1477 177.5612 120 Q 4.2084 8.3923 118.9057 56.4614 29.1555 177.3863 121 K 4.2209 8.7602 120.6709 56.7655 32.4886 176.5114 122 G 4.0880 7.3327 104.1446 45.6430 0.0000 172.9736 123 A 4.6483 9.5294 122.1803 52.3625 19.2676 177.3521 124 F 4.7266 9.4041 122.4145 56.6800 42.6195 173.6878 125 T 4.9083 7.5540 122.0431 61.1996 71.1118 174.4011 126 K 4.2534 9.1096 126.2224 56.0418 32.7796 177.9479 127 E 3.9080 9.0256 119.1229 59.0421 29.4458 177.6366 128 D 4.5638 7.9907 117.0528 53.1727 39.7248 176.9812 129 G 3.9097 8.0738 108.3990 45.2146 0.0000 173.5978 130 E 4.0957 8.4084 122.3357 55.3673 30.0022 176.0028 131 K 4.3902 8.5966 126.4341 56.5484 33.2016 175.8637 132 V 4.2767 9.1250 122.4994 63.9723 33.2748 175.7103 133 V 4.9035 7.5064 112.1176 59.3878 35.1758 175.5269 134 D 4.8399 8.3979 123.3491 51.9595 41.3612 176.6917 135 E 3.9187 8.6961 118.6982 59.3552 29.6241 177.9846 136 A 4.0231 7.9451 120.2461 53.6107 18.6183 178.0284 137 G 4.0059 8.1878 103.6279 44.8804 0.0000 173.4973 138 K 4.1644 8.3383 122.2105 55.2829 32.8085 176.4999 139 R 4.4109 8.5734 125.4599 56.7029 30.5975 176.6229 140 L 4.2725 8.9349 122.0812 54.9541 41.7192 176.4501 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 N 8.28 4.70 0.00 2.77 2.81 0.00 0.00 6.84 6.93 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 4 I 7.86 4.78 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.96 0.00 0.00 5 T 9.04 5.01 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 0.89 0.00 0.00 6 I 8.53 4.91 1.86 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 1.30 1.92 0.93 0.00 0.00 7 Y 9.30 4.82 0.00 3.06 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 8 H 9.58 5.14 0.00 3.24 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.63 4.85 0.00 2.86 2.77 0.00 0.00 7.21 7.79 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 10 P 0.00 4.17 0.00 2.05 2.11 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 11 A 7.99 4.30 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 *13 G 7.79 4.07 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 0.00 0.00 0.00 14 T 7.90 3.93 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 1.26 0.00 0.00 15 S 8.04 4.16 0.00 3.97 4.09 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 16 R 8.02 4.04 0.00 2.09 2.03 0.00 3.23 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 17 N 8.84 4.55 0.00 2.96 3.03 0.00 0.00 7.08 6.91 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 18 T 8.21 3.81 4.39 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 1.20 0.00 0.00 19 L 8.03 3.89 0.00 1.64 1.79 0.85 0.69 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 20 E 8.43 4.11 0.00 2.38 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 0.00 2.64 2.61 0.00 21 M 7.67 3.41 0.00 1.63 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.40 0.00 22 I 7.78 3.78 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.92 0.00 0.00 23 R 7.96 4.20 0.00 2.02 1.99 0.00 3.34 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 24 N 8.46 4.56 0.00 3.01 3.04 0.00 0.00 6.88 8.45 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 25 S 7.97 4.74 0.00 4.26 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 26 G 8.46 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.52 4.57 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 28 E 8.60 4.42 0.00 1.91 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 2.23 2.33 0.00 29 P 0.00 4.75 0.00 2.07 2.00 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 30 T 9.15 4.06 4.17 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 1.14 0.00 0.00 31 I 8.33 4.69 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.92 0.00 0.00 32 I 8.32 4.22 1.35 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.96 0.00 0.00 33 L 8.78 4.64 0.00 1.68 1.55 0.91 1.02 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 34 Y 8.40 4.58 0.00 3.21 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 35 L 7.10 3.92 0.00 1.38 1.60 0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.99 4.51 0.00 2.03 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 2.11 2.37 0.00 37 N 8.25 5.07 0.00 2.75 2.79 0.00 0.00 6.59 8.51 0.00 0.00 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 P 0.00 4.77 0.00 2.25 2.17 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 39 P 0.00 4.90 0.00 2.18 2.11 0.00 3.45 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.66 0.00 40 S 8.67 4.42 0.00 4.08 4.07 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 41 R 8.49 3.85 0.00 1.89 1.97 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 42 D 8.03 4.34 0.00 2.73 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 43 E 8.16 3.97 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 44 L 8.45 3.84 0.00 1.73 1.82 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.19 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 46 K 8.04 3.90 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 47 L 8.03 3.94 0.00 1.75 1.58 0.43 0.84 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 48 I 7.68 3.63 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.93 0.00 0.00 49 A 8.14 4.16 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 50 D 8.20 4.37 0.00 2.62 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 51 M 7.80 4.64 0.00 1.94 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 52 G 7.71 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 53 I 6.87 4.51 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.94 0.00 0.00 54 S 8.22 4.41 0.00 4.01 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 55 V 8.45 3.71 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 1.07 0.00 0.00 0.94 0.00 0.00 56 R 8.07 3.97 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 57 A 7.77 4.13 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 58 L 7.85 4.13 0.00 1.75 1.79 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.27 4.68 0.00 1.82 1.78 1.01 0.91 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 60 A 8.86 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.29 2.66 0.00 1.34 0.87 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.89 1.17 7.81 62 N 8.23 4.96 0.00 2.78 2.89 0.00 0.00 7.07 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 63 V 6.87 4.54 2.10 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 0.93 0.00 0.00 1.02 0.00 0.00 64 E 8.71 4.06 0.00 2.03 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 2.47 2.41 0.00 65 P 0.00 4.09 0.00 2.09 1.83 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 66 Y 7.94 3.78 0.00 2.99 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 67 E 8.15 4.03 0.00 2.27 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 2.39 2.49 0.00 68 Q 8.10 4.02 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 69 L 7.82 4.03 0.00 1.21 1.02 0.21 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.85 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 0.00 0.00 0.00 71 L 7.06 3.41 0.00 0.27 0.98 0.52 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.20 4.20 1.36 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 0.00 0.00 73 E 7.89 4.23 0.00 2.19 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 0.00 2.36 2.27 0.00 74 D 8.36 4.77 0.00 2.67 2.61 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 75 K 7.67 4.45 0.00 0.99 1.10 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.26 7.81 76 F 7.94 5.06 0.00 3.02 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 77 T 9.11 4.24 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 1.22 0.00 0.00 78 D 8.63 4.42 0.00 2.76 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.08 4.45 0.00 2.75 2.69 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 80 Q 8.08 3.83 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 81 L 8.08 4.18 0.00 1.94 1.77 0.99 0.63 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 82 I 8.17 3.71 1.97 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 1.51 0.79 0.89 0.00 0.00 83 D 8.31 4.34 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 84 F 8.12 4.48 0.00 3.21 2.95 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 85 M 8.32 4.14 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.64 0.00 86 L 7.89 4.06 0.00 1.76 1.74 0.96 0.89 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 87 Q 7.95 4.27 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.20 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 88 H 8.24 4.95 0.00 3.27 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.63 0.00 2.26 2.35 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 90 I 7.78 3.99 1.91 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 1.47 0.79 0.96 0.00 0.00 91 L 8.46 4.16 0.00 1.87 1.76 0.95 0.83 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 92 I 7.66 4.28 1.77 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 1.05 0.49 0.55 0.00 0.00 93 N 8.85 4.69 0.00 2.82 2.65 0.00 0.00 7.04 7.61 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 94 R 8.10 4.76 0.00 1.87 1.72 0.00 3.37 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 95 P 0.00 4.95 0.00 2.20 2.30 0.00 4.01 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 2.05 1.87 0.00 96 I 8.19 4.74 1.82 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.85 0.00 0.00 97 V 8.73 4.90 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 0.94 0.00 0.00 0.95 0.00 0.00 98 V 9.09 4.98 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 0.97 0.00 0.00 1.07 0.00 0.00 99 T 8.85 5.36 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 0.00 100 P 0.00 4.32 0.00 2.06 2.17 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 101 L 8.35 4.27 0.00 1.77 1.71 0.91 0.71 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 0.00 102 G 6.34 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 0.00 103 T 7.68 5.22 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 1.26 0.00 0.00 104 R 8.83 4.74 0.00 1.67 1.73 0.00 3.27 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 105 L 8.54 4.40 0.00 1.59 1.57 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.98 4.50 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.58 4.61 0.00 1.73 1.82 0.00 3.44 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 108 P 0.00 4.59 0.00 2.43 2.19 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 109 S 8.93 4.44 0.00 4.08 4.34 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 0.00 110 E 8.09 4.15 0.00 2.17 2.25 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 2.36 2.31 0.00 111 V 7.94 3.59 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 1.11 0.00 0.00 0.95 0.00 0.00 112 V 7.81 3.59 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.89 0.00 0.00 113 L 7.92 4.01 0.00 1.75 1.73 0.90 0.71 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 0.00 114 D 8.12 4.34 0.00 2.68 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 0.00 115 I 7.31 4.25 1.86 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 1.38 0.59 0.90 0.00 0.00 116 L 7.23 4.23 0.00 1.47 1.62 0.84 0.84 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 Q 8.80 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.68 4.85 0.00 2.78 2.57 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 0.00 0.00 0.00 0.00 119 A 8.24 4.20 1.23 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 0.00 0.00 120 Q 8.39 4.21 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 121 K 8.76 4.22 0.00 1.86 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.38 7.81 122 G 7.33 4.09 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 0.00 0.00 0.00 123 A 9.53 4.65 1.23 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 0.00 0.00 124 F 9.40 4.73 0.00 3.00 2.87 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 0.00 125 T 7.55 4.91 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 1.15 0.00 0.00 126 K 9.11 4.25 0.00 1.85 1.78 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.53 7.81 127 E 9.03 3.91 0.00 2.06 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 0.00 2.55 2.26 0.00 128 D 7.99 4.56 0.00 2.80 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 0.00 129 G 8.07 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 0.00 130 E 8.41 4.10 0.00 2.09 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 2.33 2.29 0.00 131 K 8.60 4.39 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 132 V 9.12 4.28 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.15 0.00 0.00 133 V 7.51 4.90 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 0.83 0.00 0.00 1.04 0.00 0.00 134 D 8.40 4.84 0.00 2.89 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 0.00 135 E 8.70 3.92 0.00 1.96 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 2.26 0.00 136 A 7.95 4.02 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 0.00 137 G 8.19 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 0.00 138 K 8.34 4.16 0.00 1.83 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 139 R 8.57 4.41 0.00 1.85 1.88 0.00 3.67 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 140 L 8.93 4.27 0.00 1.59 1.58 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.