NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5057 8.3349 115.5584 58.8407 64.1845 172.3016 3 N 4.5494 8.1198 127.9896 52.7708 43.8571 171.5291 4 T 5.0519 9.4279 120.3230 63.0737 72.8710 173.6624 5 L 4.9804 8.3592 118.2679 53.4232 44.3556 176.6533 6 F 4.7568 7.9123 117.7480 57.6476 42.5449 172.0359 7 D 5.1862 6.7484 122.3301 53.6526 44.3949 173.7059 8 D 4.3103 8.0548 122.1192 54.5368 45.5800 174.1291 9 I 5.3349 10.2267 118.5149 59.8712 41.3960 175.0031 10 F 5.4030 9.8289 124.6548 55.7969 43.5590 173.7701 11 Q 5.6868 8.9776 121.2619 53.1836 31.7360 174.3883 12 V 4.1971 8.6873 126.9053 63.2655 31.6598 176.3017 13 S 4.2036 9.0136 124.2558 60.7683 63.6059 174.3415 14 E 4.9884 7.7412 119.9444 55.7107 33.4976 175.6214 15 V 4.7343 8.4399 125.0352 61.5859 34.2911 174.2622 16 D 4.7453 8.7296 124.4415 52.5867 45.0097 172.4081 17 P 4.7486 0.0000 0.0000 60.8092 30.8815 174.4971 18 G 3.6437 8.2492 115.6318 46.5338 0.0000 170.4408 19 R 3.7028 8.1860 126.6100 57.3967 27.4003 177.7258 20 Y 5.3259 7.1645 115.2675 57.2289 39.3118 176.9195 21 N 4.4632 7.9660 117.7676 55.2427 39.4259 176.1660 22 K 4.7223 8.0702 114.0669 55.5703 35.0474 175.7825 23 V 4.7922 8.5298 119.9322 61.5083 34.2837 174.1675 24 C 5.1186 9.3947 124.0277 58.0471 32.6587 172.7785 25 R 4.6775 9.1556 124.0111 55.1824 31.3448 174.9724 26 I 5.0403 9.5090 126.7690 59.3700 42.2001 173.8452 27 E 5.4690 9.3213 123.9361 54.1787 33.6302 174.5715 28 A 5.3513 8.7306 124.4455 50.1965 23.5439 173.9567 29 A 4.9681 8.6530 120.1214 50.0162 22.0883 176.4792 30 S 3.8387 8.4792 114.9500 57.7113 63.1729 174.8441 31 T 4.6135 7.2669 122.0664 61.7571 69.4532 173.4636 32 T 3.9323 7.7109 126.1747 63.7186 75.8091 176.5412 33 Q 4.0431 9.3845 125.1607 57.5844 30.0439 175.0649 34 D 4.6337 8.5985 122.3987 55.4705 41.5706 177.2793 35 Q 4.2481 7.9630 116.0696 56.1244 29.7101 174.9665 36 C 5.4525 7.8500 119.7157 58.2170 32.1168 172.5417 37 K 5.1336 8.5744 125.3273 54.9658 34.9665 175.5047 38 L 4.8387 8.3529 122.1149 54.2090 46.0813 174.5069 39 T 5.0881 8.6189 121.4252 61.7752 72.2279 172.7327 40 L 4.9743 8.9090 126.9027 54.0915 46.2209 173.5111 41 D 5.3627 9.0178 126.7981 53.7080 42.0589 176.0185 42 I 4.7453 9.7774 123.9599 59.3566 41.0052 174.5742 43 N 4.9194 9.8011 126.0436 53.0999 38.8105 174.7693 44 V 4.1044 7.6602 130.2337 62.9914 30.8310 176.3594 45 E 4.4647 8.4430 119.8547 57.1465 31.8402 176.2428 46 L 4.1637 8.6044 116.8236 56.0538 42.1152 176.9268 47 F 4.8112 7.4968 116.6410 56.8565 40.8052 171.4151 48 P 4.1725 0.0000 0.0000 62.3285 31.8946 177.0641 49 V 3.8061 7.6041 119.3965 62.0936 32.8682 173.5834 50 A 4.3354 8.2520 130.2072 50.4212 19.9085 176.3882 51 A 3.8644 8.3540 122.5158 53.9971 18.5612 176.1333 52 Q 3.6313 8.8423 124.9258 56.1058 25.6761 172.1291 53 D 5.0878 7.8798 120.7259 52.2704 46.1110 175.0696 54 S 4.8670 8.7054 115.3602 57.2882 62.3089 172.4907 55 L 4.9807 8.7905 127.7647 53.5593 43.8280 175.7477 56 T 5.1546 8.3777 119.8893 61.0810 68.8017 171.6657 57 V 4.2858 8.3307 124.3212 63.0664 32.9163 174.3383 58 T 5.2341 8.8680 124.5804 60.9641 72.0276 173.3557 59 I 4.8016 8.7472 123.6921 61.9299 39.1441 178.8534 60 A 4.0799 9.7267 130.5738 53.4269 17.0158 177.6192 61 S 5.1331 8.1984 111.8857 57.4815 64.3421 175.0295 62 S 4.7686 8.3063 123.9814 59.6589 66.5981 176.7486 63 L 3.5489 8.0660 115.1110 55.4849 41.6884 177.6929 *76 T 4.2418 7.5390 112.8781 61.9531 70.8556 173.8044 77 R 3.7900 7.6187 124.3235 55.2718 29.7185 175.2082 78 S 3.9153 8.0744 111.8173 57.1315 63.3690 173.6130 79 W 4.4863 8.8285 135.0000 56.7036 31.3693 175.2832 80 R 4.3720 7.4545 124.2214 53.3710 32.2190 176.5567 81 P 3.9173 0.0000 0.0000 60.5131 31.0696 173.6488 82 P 4.0053 0.0000 0.0000 63.2389 30.9092 177.3460 83 Q 3.7600 9.1244 120.3405 56.7161 27.9898 176.9598 84 A 4.2532 7.7778 114.7954 52.5082 17.7090 178.4250 85 G 3.8896 8.3402 111.5723 49.9106 0.0000 174.2616 86 D 4.5951 7.5827 117.6414 52.2023 41.4766 173.5893 87 R 4.5449 7.6702 121.9834 54.2202 34.3881 174.5072 88 S 4.1876 8.5427 113.8571 59.0729 63.7294 174.8477 89 L 4.6783 8.1747 125.0039 52.6059 41.6392 177.1509 90 A 4.1163 7.8643 120.1014 53.6290 18.8784 178.7121 91 D 4.8136 8.3414 115.8397 54.0098 39.2844 178.0344 92 D 4.7201 8.0211 119.5317 54.7417 39.6376 174.9544 93 Y 4.6900 7.5342 115.6016 57.5221 41.9563 174.8413 94 D 4.9167 8.4112 120.1884 54.1852 42.5751 175.7988 95 Y 4.5321 7.4814 115.3306 57.2103 42.0436 172.5783 96 V 4.9735 8.7645 127.0102 60.6970 34.0790 174.5529 97 M 4.6063 8.2150 127.6910 54.2286 34.5436 174.3678 98 Y 5.1975 8.3726 119.8203 56.2196 42.1512 175.6518 99 G 3.8081 6.3875 109.6696 46.4904 0.0000 172.2421 100 T 4.7659 8.1257 115.3645 60.5637 72.6383 172.3788 101 A 4.4290 7.6941 124.2975 50.0259 20.4319 176.2277 102 Y 4.4787 8.1943 121.2144 58.1961 39.4696 175.6503 103 K 4.7585 6.8403 121.6061 53.0715 35.7562 175.0691 104 F 4.9366 8.4022 121.6094 55.7600 38.1330 175.2662 105 E 3.9263 8.2956 120.0042 57.4238 31.1156 176.5694 106 E 4.6755 8.6212 125.4707 54.1793 29.5731 176.0724 107 V 3.9007 8.2501 125.6493 64.7573 28.7697 176.0225 108 S 3.3113 8.8641 116.8638 60.4791 66.1132 174.7343 109 K 3.7013 8.5586 122.4347 57.9752 31.6261 176.4906 110 D 4.6734 8.7305 123.1690 53.2167 38.9220 176.3407 111 L 5.3537 8.1732 121.1895 53.5352 43.3315 176.4722 112 I 4.4040 7.9554 123.8791 59.8789 40.0935 173.9790 113 A 5.3307 8.5797 128.8372 49.4537 21.7550 175.8178 114 V 4.0213 8.0531 115.2468 59.5909 35.0403 174.3402 115 Y 4.8964 7.9720 121.0175 56.5065 40.6292 174.4587 116 Y 4.7909 8.7364 119.5540 56.1165 42.5293 174.2629 117 S 4.8211 9.6835 118.3883 56.5539 65.5826 173.1679 118 F 4.8510 9.6480 128.1555 55.9797 38.3734 175.7189 119 G 4.1923 9.2722 115.1864 46.5517 0.0000 171.4756 120 G 3.9337 7.8441 104.9844 44.6522 0.0000 173.5906 121 L 4.5628 7.9635 120.4013 53.4662 42.9781 176.7403 122 L 5.0861 9.3096 125.1505 54.6137 44.0347 175.4013 123 M 5.2316 8.6178 117.9213 55.1053 36.4763 173.4738 124 R 4.6492 9.0910 124.4467 54.8225 33.6775 173.5996 125 L 4.8983 8.3646 128.4554 53.7273 45.0994 174.5102 126 E 4.9070 8.0353 122.5374 54.3831 33.4855 174.0032 127 G 4.2857 8.6684 117.1916 45.2233 0.0000 172.3773 128 N 3.9943 6.2961 124.7369 52.6981 38.6655 173.0735 129 Y 4.8958 6.4907 113.0582 57.6503 40.4710 176.1913 130 R 4.8644 7.8487 119.4617 55.8815 31.2114 177.9323 131 N 4.3622 8.6709 116.7565 56.2614 38.6454 177.2265 132 L 4.8990 7.7758 115.5164 54.7494 42.4225 176.6085 133 N 4.6708 7.8182 113.6333 53.6545 41.4057 173.5757 134 N 4.5507 8.6540 130.9870 54.0335 39.1492 174.4726 135 L 4.4021 8.3389 125.4376 55.0946 41.5967 178.6574 136 K 4.8651 8.4358 119.2039 57.4422 32.9037 175.9373 137 Q 4.4814 7.7859 119.3607 53.9764 30.6816 175.9077 138 E 3.6404 8.8147 118.2249 59.3982 29.7570 175.7041 139 N 3.9796 6.8365 113.1418 48.6418 39.3372 174.6447 140 A 5.7353 8.1589 135.0000 52.9565 20.5855 173.0664 141 Y 4.8416 9.2919 118.6034 57.0341 39.4780 174.8254 142 L 4.6150 8.6134 126.6589 53.8555 44.1871 175.2089 143 L 5.1211 8.6164 124.4095 53.2546 46.0259 175.4851 144 I 5.3501 8.5417 120.4977 60.2963 41.7458 174.1152 145 R 4.9302 8.6107 119.5467 56.0284 33.1151 175.3186 146 R 4.2771 8.7915 118.9764 56.6240 30.5946 176.0146 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 S 8.33 4.51 0.00 3.90 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 3 N 8.12 4.55 0.00 2.74 2.68 0.00 0.00 6.80 6.17 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 4 T 9.43 5.05 4.29 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 1.30 0.00 0.00 5 L 8.36 4.98 0.00 1.71 1.80 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.91 4.76 0.00 3.21 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 7 D 6.75 5.19 0.00 2.65 2.31 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 8 D 8.05 4.31 0.00 2.42 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 9 I 10.23 5.33 1.85 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 1.29 0.56 1.03 0.00 0.00 10 F 9.83 5.40 0.00 2.90 3.08 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 0.00 0.00 0.00 11 Q 8.98 5.69 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 12 V 8.69 4.20 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 1.11 0.00 0.00 0.96 0.00 0.00 13 S 9.01 4.20 0.00 3.94 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 14 E 7.74 4.99 0.00 2.08 1.80 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 2.06 2.06 0.00 15 V 8.44 4.73 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 0.81 0.00 0.00 1.01 0.00 0.00 16 D 8.73 4.75 0.00 2.83 2.58 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 17 P 0.00 4.75 0.00 2.12 2.05 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 18 G 8.25 3.64 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 0.00 0.00 0.00 19 R 8.19 3.70 0.00 1.69 1.88 0.00 3.29 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 20 Y 7.16 5.33 0.00 2.96 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 21 N 7.97 4.46 0.00 2.76 2.93 0.00 0.00 7.00 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 22 K 8.07 4.72 0.00 1.64 1.72 0.00 1.62 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.41 7.81 23 V 8.53 4.79 1.75 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 0.64 0.00 0.00 0.82 0.00 0.00 24 C 9.39 5.12 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.16 4.68 0.00 2.14 1.85 0.00 3.08 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 26 I 9.51 5.04 1.86 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 1.25 1.72 0.94 0.00 0.00 27 E 9.32 5.47 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.10 0.00 28 A 8.73 5.35 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 29 A 8.65 4.97 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 30 S 8.48 3.84 0.00 3.54 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 31 T 7.27 4.61 4.16 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 1.18 0.00 0.00 32 T 7.71 3.93 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 1.05 0.00 0.00 33 Q 9.38 4.04 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.84 2.66 0.00 34 D 8.60 4.63 0.00 2.72 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 35 Q 7.96 4.25 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 36 C 7.85 5.45 0.00 3.30 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 37 K 8.57 5.13 0.00 1.69 1.76 0.00 2.00 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 8.35 4.84 0.00 1.35 1.17 0.69 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.62 5.09 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 1.33 0.00 0.00 40 L 8.91 4.97 0.00 1.62 1.36 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.02 5.36 0.00 2.71 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 42 I 9.78 4.75 1.94 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 1.23 0.50 1.20 0.00 0.00 43 N 9.80 4.92 0.00 2.74 2.62 0.00 0.00 6.55 7.73 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 44 V 7.66 4.10 2.06 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 0.96 0.00 0.00 1.02 0.00 0.00 45 E 8.44 4.46 0.00 1.89 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 2.15 2.27 0.00 46 L 8.60 4.16 0.00 1.46 1.53 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.50 4.81 0.00 2.81 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 48 P 0.00 4.17 0.00 1.99 1.89 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 49 V 7.60 3.81 1.88 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 0.64 0.00 0.00 0.18 0.00 0.00 50 A 8.25 4.34 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 51 A 8.35 3.86 1.27 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 0.00 0.00 52 Q 8.84 3.63 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 53 D 7.88 5.09 0.00 2.68 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 54 S 8.71 4.87 0.00 3.92 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 55 L 8.79 4.98 0.00 1.77 1.75 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.38 5.15 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 1.36 0.00 0.00 57 V 8.33 4.29 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 0.84 0.00 0.00 0.69 0.00 0.00 58 T 8.87 5.23 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 1.32 0.00 0.00 59 I 8.75 4.80 1.98 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.87 0.00 0.00 60 A 9.73 4.08 1.56 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 0.00 0.00 61 S 8.20 5.13 0.00 4.22 4.08 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 0.00 0.00 0.00 62 S 8.31 4.77 0.00 3.95 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 63 L 8.07 3.55 0.00 1.62 1.61 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.54 4.24 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 77 R 7.62 3.79 0.00 1.98 1.94 0.00 3.26 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 78 S 8.07 3.92 0.00 3.89 3.78 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 W 8.83 4.49 0.00 3.27 3.13 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 80 R 7.45 4.37 0.00 1.48 1.69 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 81 P 0.00 3.92 0.00 1.90 1.87 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 82 P 0.00 4.01 0.00 2.13 1.93 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 83 Q 9.12 3.76 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.20 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 84 A 7.78 4.25 1.20 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 0.00 0.00 85 G 8.34 3.89 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 0.00 0.00 0.00 86 D 7.58 4.60 0.00 2.56 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 87 R 7.67 4.54 0.00 1.80 1.76 0.00 3.29 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 88 S 8.54 4.19 0.00 3.95 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 89 L 8.17 4.68 0.00 1.71 1.79 0.92 0.88 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 90 A 7.86 4.12 1.27 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 0.00 0.00 91 D 8.34 4.81 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.02 4.72 0.00 2.67 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 93 Y 7.53 4.69 0.00 2.79 3.13 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 94 D 8.41 4.92 0.00 2.11 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 95 Y 7.48 4.53 0.00 2.59 2.53 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 96 V 8.76 4.97 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 1.18 0.00 0.00 0.92 0.00 0.00 97 M 8.22 4.61 0.00 1.50 0.81 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 98 Y 8.37 5.20 0.00 2.64 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 6.39 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.13 4.77 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 1.12 0.00 0.00 101 A 7.69 4.43 0.22 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 0.00 102 Y 8.19 4.48 0.00 3.00 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 0.00 103 K 6.84 4.76 0.00 1.72 1.32 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.48 7.81 104 F 8.40 4.94 0.00 2.87 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 0.00 105 E 8.30 3.93 0.00 2.30 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 2.44 2.45 0.00 106 E 8.62 4.68 0.00 1.88 1.88 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 2.23 2.30 0.00 107 V 8.25 3.90 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 0.78 0.00 0.00 0.92 0.00 0.00 108 S 8.86 3.31 0.00 4.11 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 0.00 109 K 8.56 3.70 0.00 1.86 1.00 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.40 7.81 110 D 8.73 4.67 0.00 2.85 2.66 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 0.00 0.00 0.00 0.00 111 L 8.17 5.35 0.00 1.93 1.60 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.96 4.40 1.85 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 1.29 1.49 0.85 0.00 0.00 113 A 8.58 5.33 0.98 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 0.00 0.00 114 V 8.05 4.02 0.99 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 0.32 0.00 0.00 0.88 0.00 0.00 115 Y 7.97 4.90 0.00 1.63 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 0.00 0.00 0.00 116 Y 8.74 4.79 0.00 2.69 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 0.00 0.00 0.00 0.00 117 S 9.68 4.82 0.00 3.61 3.50 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 0.00 118 F 9.65 4.85 0.00 3.01 3.06 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 0.00 119 G 9.27 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.84 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 0.00 121 L 7.96 4.56 0.00 1.97 1.77 1.00 0.28 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 0.00 122 L 9.31 5.09 0.00 1.81 1.74 0.99 0.59 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 0.00 123 M 8.62 5.23 0.00 2.33 2.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 124 R 9.09 4.65 0.00 1.66 1.56 0.00 2.98 0.00 0.00 2.95 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 125 L 8.36 4.90 0.00 1.53 1.24 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.04 4.91 0.00 1.94 1.69 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 2.24 2.24 0.00 127 G 8.67 4.29 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 0.00 128 N 6.30 3.99 0.00 2.71 2.76 0.00 0.00 6.65 7.54 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 0.00 129 Y 6.49 4.90 0.00 3.08 3.06 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 0.00 130 R 7.85 4.86 0.00 2.06 2.21 0.00 3.14 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 131 N 8.67 4.36 0.00 2.76 2.95 0.00 0.00 6.94 7.85 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 0.00 132 L 7.78 4.90 0.00 1.62 1.66 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.82 4.67 0.00 2.84 2.85 0.00 0.00 6.69 6.21 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 0.00 134 N 8.65 4.55 0.00 2.85 2.97 0.00 0.00 6.91 7.78 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 0.00 135 L 8.34 4.40 0.00 1.83 1.90 1.01 0.92 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 0.00 136 K 8.44 4.87 0.00 1.37 0.88 0.00 1.43 0.00 0.00 1.10 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.19 7.81 137 Q 7.79 4.48 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 138 E 8.81 3.64 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 139 N 6.84 3.98 0.00 2.89 2.88 0.00 0.00 6.74 7.35 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 0.00 140 A 8.16 5.74 1.63 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 0.00 0.00 141 Y 9.29 4.84 0.00 2.82 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 0.00 142 L 8.61 4.62 0.00 1.55 0.82 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.62 5.12 0.00 0.74 0.13 0.89 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.54 5.35 1.85 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.93 1.07 0.00 0.00 145 R 8.61 4.93 0.00 1.76 1.93 0.00 2.70 0.00 0.00 2.79 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 146 R 8.79 4.28 0.00 2.20 2.33 0.00 3.55 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.