NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.3456 8.1227 123.5883 51.8296 19.9748 178.5128 14 E 3.4570 9.4125 123.8399 59.6661 30.2566 176.5232 15 A 3.9110 8.2309 120.4594 55.1417 19.6166 178.0929 16 G 3.9737 9.7438 103.1528 48.1721 0.0000 175.0568 17 I 3.7105 7.2383 120.0369 63.7650 37.3201 177.3901 18 T 3.8832 7.5650 116.1141 62.7294 68.9283 175.0071 19 G 3.6519 7.0375 112.3037 45.5178 0.0000 170.3904 20 T 4.8082 7.4290 115.7084 61.5374 71.1500 173.9341 21 W 5.4319 9.0342 124.8790 55.1575 33.8379 173.8448 22 Y 5.5359 9.3491 119.5365 56.4974 41.8760 174.9461 23 N 5.3576 9.1567 119.9999 50.3254 39.9950 175.6923 24 Q 4.0891 8.5930 115.8766 58.7675 28.7481 177.1063 25 L 4.1785 8.0691 117.2602 55.3897 41.9873 177.5855 26 G 4.0364 8.3309 107.2717 44.9872 0.0000 173.9184 27 S 4.6933 8.1829 115.4645 58.5397 64.6502 173.0669 28 T 4.9482 8.7256 118.5637 61.6844 71.9151 172.9326 29 F 4.9757 9.0556 127.7639 56.4007 42.6248 173.3841 30 I 4.7360 8.5253 127.5924 59.3951 39.4445 175.1657 31 V 4.6340 8.2602 125.9607 59.9823 35.3862 174.4257 32 T 4.7304 8.6544 118.5517 61.6858 71.5835 172.8287 33 A 4.4744 8.6119 129.3836 50.4438 19.6930 177.3871 34 G 3.8626 9.2510 112.3249 44.8610 0.0000 174.3748 35 A 4.1400 8.5353 123.0430 54.3030 18.5162 178.2454 36 D 4.5704 8.1389 113.7614 53.2255 40.0008 177.3251 37 G 3.3500 8.3849 108.8051 44.9762 0.0000 173.3419 38 A 4.8873 8.1080 121.5512 51.4931 20.2870 176.7115 39 L 5.3147 8.8776 120.1824 53.1867 45.1421 175.9668 40 T 4.9716 8.9007 112.1587 59.7835 72.8197 174.5295 41 G 3.6298 6.9418 107.3224 46.3988 0.0000 171.2579 42 T 5.2827 7.5795 109.1461 60.1521 72.8447 172.4760 43 Y 5.1332 9.2463 123.9193 55.7265 42.4100 173.8756 44 E 5.1809 9.2281 124.4646 54.7660 32.1476 174.5982 45 S 5.1505 9.2752 119.5551 57.0725 63.2266 173.9686 46 A 4.2942 8.9350 129.4158 53.6529 18.8339 177.6980 47 V 4.3439 7.4300 107.3545 60.2777 35.0534 176.4635 48 G 3.5575 8.4612 108.7091 44.8540 0.0000 173.4989 49 N 4.5758 7.9652 115.1040 51.6796 37.2577 174.1538 50 A 5.0296 7.3943 122.4351 50.5103 22.8634 175.6636 51 E 4.6530 9.6683 116.3746 56.4775 32.6040 176.8000 52 S 3.8448 8.6153 116.8362 57.3285 62.0393 169.2126 53 R 4.8492 8.1263 115.6845 55.8722 30.7914 175.4438 54 Y 4.8735 9.1035 117.9900 55.9604 41.9572 175.2600 55 V 4.3126 8.6203 122.8613 62.9401 32.0279 175.0057 56 L 5.2083 8.7433 126.8225 54.5432 44.0649 175.0507 57 T 4.7976 8.5159 113.1404 61.5414 71.4288 173.2594 58 G 4.6092 8.6801 112.3032 46.3940 0.0000 171.9913 59 R 5.5814 8.7710 117.5026 55.0461 34.9236 174.0451 60 Y 5.3098 8.4952 118.2199 55.5359 41.7768 174.3268 61 D 4.3841 8.9943 120.7292 53.5589 40.9702 176.9356 62 S 4.3024 8.1986 120.6615 59.1514 63.9081 174.5703 63 A 4.6496 7.9881 123.6652 49.9924 18.7375 173.4974 64 P 4.7843 0.0000 0.0000 60.9286 32.4715 176.6448 65 A 3.8848 7.9459 122.7455 54.1817 18.2867 177.9346 *69 S 4.2202 8.0114 111.8739 57.0645 64.7574 174.1830 70 G 4.0315 8.4094 110.0496 46.3428 0.0000 172.5796 71 T 4.8879 8.8374 116.5231 61.5160 70.6271 174.7659 72 A 4.8555 8.7438 128.7325 52.2159 20.0584 175.8902 73 L 4.9282 8.8549 120.0134 55.6833 44.6133 173.7409 74 G 4.6491 9.1899 105.0322 45.6487 0.0000 172.1918 75 W 5.7834 8.6163 117.1280 55.7242 32.2626 173.4375 76 T 5.2231 9.3559 116.4305 61.8703 72.5200 173.3687 77 V 4.4781 8.7906 124.0068 60.9743 34.6691 173.9021 78 A 4.4066 8.3157 129.6212 49.6864 20.0756 178.0603 79 W 4.1306 8.2920 126.4692 55.4323 28.1091 176.3516 80 K 5.2647 7.7584 118.1979 54.7572 35.1827 174.5885 81 N 4.9917 8.9864 123.0172 51.9209 39.8325 173.5974 82 N 4.3589 8.6186 113.8386 55.2509 38.8756 175.2212 83 Y 4.4867 8.2699 115.7547 58.8173 39.7283 175.7670 84 R 4.7203 7.8933 117.1807 54.8152 33.3686 172.8796 85 N 5.2253 8.5950 119.1163 52.1615 41.0707 173.7805 86 A 4.4118 9.2856 128.2878 51.5289 20.2554 175.8404 87 H 4.1837 8.6236 113.5721 55.9767 26.8006 173.6394 88 S 5.1997 7.4130 111.3672 57.6391 66.8016 174.3139 89 A 4.9497 9.1150 121.4967 50.6947 22.8220 175.1826 90 T 4.9798 8.6535 117.2136 61.7027 72.1710 173.2842 91 T 4.8662 8.3343 115.0535 59.6382 71.7717 172.6439 92 W 4.8998 8.6813 125.7877 54.7173 31.7020 174.8221 93 S 4.8355 8.7562 119.3507 56.7827 64.9130 173.1158 94 G 4.6126 8.5529 112.9391 46.6220 0.0000 171.7302 95 Q 5.3344 8.3870 117.7790 54.9174 32.8993 173.4230 96 Y 5.0859 9.2538 123.1050 56.5469 40.9398 174.3183 97 V 3.9259 8.3625 126.1470 61.0704 34.5096 175.3808 98 G 4.1286 9.4049 115.3656 44.6640 0.0000 172.9975 99 G 3.7867 7.9525 105.6985 45.5571 0.0000 173.7735 100 A 4.6128 8.2762 130.6186 51.9007 19.6449 177.8189 101 E 4.6961 7.6802 114.0675 55.0378 29.6033 175.6727 102 A 4.3476 7.9179 120.6562 53.9584 19.8555 178.0185 103 R 5.4854 9.1920 120.9848 55.3345 34.7635 173.6818 104 I 4.9957 8.9679 123.6451 59.7501 40.3546 174.1779 105 N 5.4852 9.1066 125.5501 52.0009 40.8044 174.5449 106 T 5.2746 9.1831 112.7431 60.3390 73.3466 172.4625 107 Q 5.1147 9.0739 120.0474 53.8523 32.8036 174.8547 108 W 5.4223 8.4594 118.1093 54.7495 32.4350 173.7580 109 L 5.2331 8.7344 120.1999 52.9051 44.9882 175.2355 110 L 4.9845 9.1280 125.9596 53.7488 44.3871 174.8713 111 T 5.0336 8.9026 123.9268 62.0286 70.9006 173.9319 112 S 5.1095 8.6418 122.1977 56.6275 65.2153 174.2867 113 G 3.9288 8.7503 111.5744 46.4229 0.0000 173.0816 114 T 4.7928 8.2485 113.6383 59.5997 72.6262 173.1270 115 T 4.3175 8.0412 111.5311 60.8434 69.8410 175.4603 116 E 3.9749 8.7122 120.9045 59.3982 29.6187 179.5577 117 A 4.1167 8.0274 120.3674 54.3077 18.9291 177.5357 118 N 4.7491 8.0505 111.3967 52.9317 39.2992 176.7316 119 A 4.2054 8.0778 123.6198 54.0747 18.6610 180.2941 120 W 4.3636 8.3521 112.5521 58.5936 28.2043 176.6402 121 K 4.1877 6.5808 118.3262 56.0120 32.2734 177.0869 122 S 4.2915 7.8056 115.0927 60.4944 63.8788 173.2681 123 T 5.0575 7.5735 117.5424 61.8044 70.8631 173.5341 124 L 4.7911 8.8523 126.7316 53.4182 44.2160 175.9986 125 V 4.4149 7.7886 119.6678 60.4497 34.6401 175.1707 126 G 3.0444 6.5908 107.7175 45.8794 0.0000 171.1626 127 H 5.2971 7.9729 113.9105 54.2837 31.5474 172.6752 128 D 5.2322 9.2863 119.3492 53.0267 45.5614 174.4837 129 T 5.1066 9.0379 117.4604 61.9118 72.1974 172.8638 130 F 5.4150 9.6914 125.2422 56.2132 41.8118 174.6958 131 T 5.2806 9.4048 120.1397 61.7408 71.2388 173.4056 132 K 3.7744 8.1276 127.0665 55.4803 33.1246 176.7537 133 V 3.9089 8.0588 126.4743 63.1101 31.0834 175.5115 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 13 A 8.12 4.35 1.15 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 0.00 0.00 14 E 9.41 3.46 0.00 2.11 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 2.48 2.43 0.00 15 A 8.23 3.91 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 16 G 9.74 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 17 I 7.24 3.71 1.34 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.53 0.00 0.00 18 T 7.56 3.88 4.12 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 1.13 0.00 0.00 19 G 7.04 3.65 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 0.00 0.00 0.00 20 T 7.43 4.81 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 0.86 0.00 0.00 21 W 9.03 5.43 0.00 3.27 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.35 5.54 0.00 2.97 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 23 N 9.16 5.36 0.00 2.46 1.76 0.00 0.00 6.64 6.74 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 24 Q 8.59 4.09 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.07 4.18 0.00 1.89 1.80 0.98 0.92 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 26 G 8.33 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 0.00 0.00 0.00 27 S 8.18 4.69 0.00 4.11 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 28 T 8.73 4.95 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 1.00 0.00 0.00 29 F 9.06 4.98 0.00 2.49 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 30 I 8.53 4.74 1.72 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 1.12 0.56 0.75 0.00 0.00 31 V 8.26 4.63 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.44 0.00 0.00 32 T 8.65 4.73 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 1.13 0.00 0.00 33 A 8.61 4.47 0.56 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 34 G 9.25 3.86 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 0.00 0.00 0.00 35 A 8.54 4.14 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 36 D 8.14 4.57 0.00 2.78 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 37 G 8.38 3.35 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 0.00 38 A 8.11 4.89 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 39 L 8.88 5.31 0.00 1.64 1.46 1.15 0.54 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 40 T 8.90 4.97 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 1.21 0.00 0.00 41 G 6.94 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 0.00 0.00 0.00 42 T 7.58 5.28 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 Y 9.25 5.13 0.00 3.08 2.99 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 44 E 9.23 5.18 0.00 2.05 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 0.00 2.28 2.37 0.00 45 S 9.28 5.15 0.00 4.31 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 46 A 8.93 4.29 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 47 V 7.43 4.34 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 0.72 0.00 0.00 0.81 0.00 0.00 48 G 8.46 3.56 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 0.00 49 N 7.97 4.58 0.00 2.65 2.70 0.00 0.00 6.56 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 50 A 7.39 5.03 1.13 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 0.00 0.00 51 E 9.67 4.65 0.00 2.07 1.97 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 2.30 2.24 0.00 52 S 8.62 3.84 0.00 3.78 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 53 R 8.13 4.85 0.00 1.91 2.14 0.00 3.36 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 54 Y 9.10 4.87 0.00 2.99 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 55 V 8.62 4.31 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.74 5.21 0.00 2.07 1.80 0.83 0.44 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 57 T 8.52 4.80 4.28 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 1.25 0.00 0.00 58 G 8.68 4.61 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 59 R 8.77 5.58 0.00 1.77 1.79 0.00 3.31 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.50 5.31 0.00 3.10 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 61 D 8.99 4.38 0.00 2.81 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 62 S 8.20 4.30 0.00 3.90 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 63 A 7.99 4.65 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 64 P 0.00 4.78 0.00 2.28 2.19 0.00 3.44 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 7.95 3.88 1.26 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 0.00 0.00 *69 S 8.01 4.22 0.00 3.94 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 70 G 8.41 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 0.00 0.00 0.00 71 T 8.84 4.89 4.58 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 1.47 0.00 0.00 72 A 8.74 4.86 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.85 4.93 0.00 2.14 1.97 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.19 4.65 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 0.00 0.00 0.00 75 W 8.62 5.78 0.00 3.54 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.36 5.22 4.28 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 1.19 0.00 0.00 77 V 8.79 4.48 1.45 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 -0.28 0.00 0.00 0.84 0.00 0.00 78 A 8.32 4.41 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 79 W 8.29 4.13 0.00 3.35 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 80 K 7.76 5.26 0.00 1.84 1.74 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.51 7.81 81 N 8.99 4.99 0.00 2.66 2.52 0.00 0.00 7.07 8.64 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 82 N 8.62 4.36 0.00 2.09 2.42 0.00 0.00 6.66 7.46 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 83 Y 8.27 4.49 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 84 R 7.89 4.72 0.00 1.93 1.91 0.00 3.11 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 85 N 8.60 5.23 0.00 2.67 2.56 0.00 0.00 6.89 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 86 A 9.29 4.41 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.62 4.18 0.00 3.36 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.41 5.20 0.00 4.02 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 89 A 9.12 4.95 1.16 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 0.00 0.00 90 T 8.65 4.98 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 -0.49 0.00 0.00 91 T 8.33 4.87 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 1.15 0.00 0.00 92 W 8.68 4.90 0.00 1.78 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 0.00 0.00 0.00 93 S 8.76 4.84 0.00 3.78 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 94 G 8.55 4.61 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 95 Q 8.39 5.33 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.25 5.09 0.00 3.06 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.36 3.93 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 0.92 0.00 0.00 0.91 0.00 0.00 98 G 9.40 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 0.00 0.00 0.00 99 G 7.95 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.28 4.61 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 0.00 101 E 7.68 4.70 0.00 2.04 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 2.20 2.39 0.00 102 A 7.92 4.35 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 0.00 103 R 9.19 5.49 0.00 2.01 1.83 0.00 3.26 0.00 0.00 3.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 104 I 8.97 5.00 1.79 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.21 1.13 0.00 0.00 105 N 9.11 5.49 0.00 2.73 2.80 0.00 0.00 6.05 6.37 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 0.00 106 T 9.18 5.27 4.46 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 1.41 0.00 0.00 107 Q 9.07 5.11 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 108 W 8.46 5.42 0.00 2.64 2.32 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 0.00 109 L 8.73 5.23 0.00 1.52 1.53 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.13 4.98 0.00 1.60 1.70 0.96 0.34 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 0.00 111 T 8.90 5.03 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 1.19 0.00 0.00 112 S 8.64 5.11 0.00 3.69 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.75 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 0.00 114 T 8.25 4.79 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 115 T 8.04 4.32 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 1.21 0.00 0.00 116 E 8.71 3.97 0.00 2.07 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 2.41 2.32 0.00 117 A 8.03 4.12 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 0.00 118 N 8.05 4.75 0.00 2.73 2.65 0.00 0.00 6.72 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.08 4.21 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 0.00 120 W 8.35 4.36 0.00 3.58 3.24 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 0.00 121 K 6.58 4.19 0.00 1.21 0.74 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.79 0.69 7.81 122 S 7.81 4.29 0.00 4.16 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 0.00 123 T 7.57 5.06 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 0.00 124 L 8.85 4.79 0.00 1.82 1.68 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.79 4.41 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 0.54 0.00 0.00 0.71 0.00 0.00 126 G 6.59 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 7.97 5.30 0.00 3.17 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.29 5.23 0.00 3.01 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 0.00 0.00 0.00 0.00 129 T 9.04 5.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 130 F 9.69 5.41 0.00 2.98 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 0.00 131 T 9.40 5.28 4.45 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 0.00 0.00 0.00 1.31 0.00 0.00 132 K 8.13 3.77 0.00 0.79 1.19 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.84 0.30 7.81 133 V 8.06 3.91 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 0.79 0.00 0.00 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.