NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3971 8.1733 120.1425 56.5429 35.4629 174.1375 4 Q 4.7164 8.1512 119.8559 54.6300 29.8314 170.0625 5 V 4.4842 9.6207 124.7820 61.0229 35.9805 173.4054 6 E 5.0722 8.8032 125.6496 54.6067 32.3909 175.0003 7 I 4.9665 8.3110 124.2232 59.4163 41.1427 174.2764 8 F 5.4304 9.4238 125.9436 55.9450 41.2865 174.6248 9 T 5.3193 8.7195 113.7769 60.2835 71.9454 173.0002 10 D 4.7953 8.9620 121.1255 53.3943 45.1439 174.2798 11 G 4.7325 8.6951 111.7748 44.9423 0.0000 171.3428 12 S 5.0835 8.8631 115.3723 57.3213 66.9107 172.8888 13 A 5.1026 9.0691 121.6880 50.4601 21.7801 176.4368 14 L 4.2179 9.0932 120.1628 55.9620 42.3636 176.8662 15 G 4.0694 7.3685 106.0577 45.2273 0.0000 172.6821 16 N 4.9571 8.1963 115.1945 51.6432 39.1551 172.8931 17 P 4.6141 0.0000 0.0000 61.7798 34.1416 175.1555 18 G 3.9834 8.0537 106.6003 45.3631 0.0000 170.7866 19 P 4.9237 0.0000 0.0000 62.6061 32.5966 176.1867 20 G 4.3739 9.0678 109.5930 45.9090 0.0000 171.0088 21 G 4.5927 8.7829 106.2501 45.8814 0.0000 171.7664 22 Y 5.5645 8.4495 117.3218 55.2788 42.2230 174.6859 23 G 4.6835 9.4914 106.4505 44.7659 0.0000 171.5237 24 A 5.5277 9.7770 125.8215 50.2417 22.9291 174.7532 25 I 5.0317 9.1666 123.1804 59.5234 40.4939 174.4884 26 L 5.1957 9.4631 127.5839 53.0396 44.3686 175.6585 27 R 5.1072 9.2762 123.0018 55.0977 33.0582 174.8555 28 Y 5.0185 8.7051 123.7675 55.9233 40.5560 174.8551 29 R 3.8214 8.6506 121.4338 58.7884 29.0241 176.1519 30 G 4.1625 8.6020 118.0681 45.6815 0.0000 172.5394 31 R 4.0558 7.5404 118.7554 56.0975 30.8565 175.3221 32 E 5.4327 8.4136 120.1290 54.8126 32.9570 174.4121 33 K 4.7040 9.3662 125.1940 54.8483 36.2217 175.0769 34 T 5.0411 7.8275 116.6002 60.4386 70.9316 172.8904 35 F 5.1170 9.3256 124.9261 56.0828 43.5611 173.7726 36 S 5.0074 8.9204 115.4714 57.7493 65.8245 173.1853 37 A 4.3630 7.2730 121.5448 50.7659 22.6969 175.1600 38 G 4.3524 8.2798 106.8651 44.5137 0.0000 171.6455 39 Y 5.2518 9.1151 120.3742 55.8595 41.0116 176.8674 40 T 3.8654 8.8591 114.2793 64.6296 70.0904 173.9171 41 R 4.5182 7.8199 122.5639 55.6606 32.4607 173.4915 42 T 4.0567 8.4365 122.2959 61.4772 71.1648 171.9537 43 T 4.8697 8.0022 109.4239 59.0830 72.2902 174.4633 44 N 4.2479 8.6803 118.8464 56.5550 38.4849 177.1688 45 N 3.9773 7.9276 117.1641 56.5524 38.4744 177.5622 46 R 3.8241 7.6541 118.8527 59.4221 30.0185 179.1068 47 M 4.0585 8.0545 118.6163 58.1404 32.0176 178.6059 48 E 4.0058 8.4131 119.1727 59.2367 29.6415 179.2036 49 L 3.9218 7.8701 120.3881 57.9905 42.0938 178.8064 50 K 3.6840 8.1919 119.6685 59.2611 31.9815 178.5050 51 A 3.6488 8.1099 120.9462 55.0418 18.3566 179.5241 52 A 3.9361 7.6143 117.9800 55.1941 18.3733 179.7719 53 I 3.5790 7.6787 118.2625 64.8351 36.7875 178.6450 54 E 3.8750 8.2039 119.5410 59.0450 28.9271 179.7573 55 G 3.5145 7.6795 105.3015 47.7835 0.0000 175.5366 56 L 4.0260 7.9263 121.5159 57.2197 41.4455 179.6244 57 K 4.0378 8.0667 117.4261 58.8140 31.9790 178.8315 58 A 3.9852 7.1838 119.6498 53.1630 18.4214 177.7634 59 L 4.1794 7.2316 118.2645 54.9275 41.9938 177.2523 60 K 4.4676 8.7238 121.9754 56.4584 32.9390 175.8282 61 E 4.7735 7.6930 115.3547 53.6645 32.4899 172.9301 62 P 4.4582 0.0000 0.0000 63.5964 32.1853 175.5376 63 A 4.6608 8.4850 122.6608 50.6967 23.1315 174.5705 64 E 4.5477 8.9114 121.5369 55.5089 31.0328 175.4385 65 V 4.6931 8.8806 127.3132 61.0608 34.8045 173.8181 66 D 4.9040 8.6808 127.4376 52.5563 43.1156 174.8578 67 L 4.6143 8.0410 127.2782 53.3957 44.1495 174.5353 68 Y 4.9793 8.7932 125.2275 56.8144 39.7964 174.8876 69 T 5.1501 8.8457 118.1615 60.9501 71.3836 173.5783 70 D 4.9492 8.8264 124.4286 53.0342 40.3871 176.7791 71 S 4.3720 7.9260 116.9510 59.0089 63.0932 174.4677 72 H 4.2546 8.9745 126.8996 58.7196 28.6148 177.0376 73 Y 4.2715 8.1004 121.0682 60.8863 38.6779 178.1119 74 L 4.1666 8.3746 120.0661 57.5779 41.6962 179.3203 75 K 2.0000 7.7268 119.5144 58.7779 31.7807 178.6689 76 K 3.7483 7.7848 118.3162 59.3468 32.1322 178.2891 77 A 3.6737 7.2753 119.5937 54.8817 18.3547 179.1158 78 F 4.3872 8.0346 114.2988 58.4219 39.3490 176.5172 79 T 4.7478 7.4375 109.3381 60.7610 70.7406 174.0397 80 E 4.3236 8.2123 130.9208 57.6331 34.7575 177.9104 *99 V 3.8456 8.9737 110.0142 61.9106 32.9695 173.5723 100 K 4.0272 8.6219 126.4705 57.6909 32.9850 176.4177 101 N 4.2763 9.0057 123.4757 54.6135 35.8802 176.1913 102 R 4.1299 8.1575 119.8353 59.6134 30.2703 176.4479 103 D 4.4053 8.2205 118.5112 56.7080 39.0843 178.6219 104 L 4.0545 7.7979 119.6505 57.1052 41.8489 179.1193 105 W 4.2642 8.0293 118.8162 59.6424 28.9371 178.1516 106 E 4.0024 8.6300 119.1553 59.3718 29.1143 178.7682 107 A 4.0332 7.8102 120.4218 54.9888 18.4084 179.4040 108 L 3.9509 8.3685 119.2545 58.2878 42.2458 179.1162 109 L 4.1557 8.2000 118.9430 58.0562 41.3872 179.6393 110 L 4.0589 7.8719 117.4301 57.6303 41.5853 179.1115 111 A 4.1707 8.0178 120.1156 54.9186 18.5422 179.0394 112 M 4.1873 8.3581 117.0039 57.5088 32.0076 178.4099 113 A 3.9876 7.7194 120.6900 54.9481 18.6388 177.2018 114 P 4.2370 0.0000 0.0000 64.4474 31.7317 175.6010 115 H 4.9571 7.8986 114.7529 53.9525 32.3015 174.3677 116 R 4.2981 8.4356 120.4313 55.0700 30.2989 173.9728 117 V 4.3295 7.9848 125.1847 61.1255 32.9037 174.8827 118 R 4.3035 8.7344 128.4563 54.3760 31.5700 175.9191 119 F 4.1231 8.3067 123.1045 57.2538 40.3654 175.4563 120 H 4.3584 8.4837 118.8084 54.0902 31.8768 173.0615 121 F 5.2494 8.5357 123.6879 56.2324 38.5070 176.3776 122 V 3.9928 8.4902 117.4525 61.2648 31.9051 176.9814 123 K 4.2652 8.7731 121.6176 56.6085 32.6132 176.4004 124 G 4.0061 7.3142 106.0261 46.2296 0.0000 172.5425 125 H 4.7219 8.1649 114.0922 56.2287 29.5484 175.7965 126 A 4.2324 7.9563 122.4264 53.0033 18.7102 177.8408 127 G 3.8532 8.8307 108.0166 46.4196 0.0000 173.6365 128 H 4.8810 7.8131 115.7270 52.5071 29.7032 172.3074 129 P 4.1561 0.0000 0.0000 66.5634 31.1349 178.1180 130 E 3.6833 7.5835 117.5879 58.8371 29.1495 178.9424 131 N 4.3841 7.9798 116.6362 56.1751 38.5619 177.1015 132 E 3.9172 7.9044 120.4108 59.2353 29.8189 178.9342 133 R 4.4698 8.1844 119.4287 58.5784 30.1073 178.8668 134 A 4.0696 8.2329 121.0278 55.0802 18.3043 179.1729 135 D 4.4725 8.3097 116.6846 57.5225 41.3190 178.2478 136 E 3.9652 8.2505 119.0992 59.4473 29.4689 179.3756 137 L 3.9581 8.0146 118.6611 57.6613 41.6869 179.4464 138 A 4.0381 8.0955 120.5759 55.3444 17.9171 179.8656 139 R 3.8658 8.2456 116.5063 59.4702 29.9237 179.2636 140 A 4.0062 7.9550 119.2043 54.9579 18.7482 179.2363 141 A 4.0148 8.0113 119.2796 54.9822 18.2306 179.6991 142 A 4.1722 7.7299 118.7295 55.3115 18.5179 179.2462 143 M 4.2750 7.5774 115.1170 56.8283 33.4574 176.5908 144 N 5.0093 7.5648 115.4940 50.9727 39.6084 172.3707 145 P 4.4127 0.0000 0.0000 62.9619 32.6433 177.2890 146 T 4.5285 8.1677 115.2411 62.6227 70.9132 173.5640 147 L 4.7017 7.4434 121.0781 52.7301 44.2702 174.9589 148 E 4.9472 8.5560 120.1626 55.1396 31.2021 177.1011 149 D 4.7318 8.6035 125.9638 52.4255 39.9568 176.0691 150 T 3.9288 8.2989 119.7216 66.6228 68.9300 176.0620 151 G 3.7310 8.1469 107.6319 46.6052 0.0000 171.2270 152 Y 4.4600 7.6145 124.3987 58.4729 39.6457 176.0483 153 Q 4.0187 12.0000 125.0093 56.0619 29.2723 174.4350 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 K 8.17 4.40 0.00 1.84 2.12 0.00 1.49 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 4 Q 8.15 4.72 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 5 V 9.62 4.48 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 0.45 0.00 0.00 0.54 0.00 0.00 6 E 8.80 5.07 0.00 2.02 1.57 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 2.29 2.28 0.00 7 I 8.31 4.97 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.87 0.00 0.00 8 F 9.42 5.43 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 5.32 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 1.29 0.00 0.00 10 D 8.96 4.80 0.00 2.88 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 11 G 8.70 4.73 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 0.00 0.00 0.00 12 S 8.86 5.08 0.00 3.91 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 13 A 9.07 5.10 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 14 L 9.09 4.22 0.00 1.51 1.72 0.92 0.69 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 15 G 7.37 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 16 N 8.20 4.96 0.00 2.66 2.67 0.00 0.00 6.88 7.69 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 17 P 0.00 4.61 0.00 1.73 1.53 0.00 3.97 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 1.97 2.13 0.00 18 G 8.05 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 0.00 0.00 0.00 19 P 0.00 4.92 0.00 2.08 1.99 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 G 9.07 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 0.00 0.00 0.00 0.00 21 G 8.78 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 5.56 0.00 3.11 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 23 G 9.49 4.68 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 0.00 0.00 0.00 24 A 9.78 5.53 1.47 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 0.00 0.00 25 I 9.17 5.03 2.08 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 1.28 0.95 1.00 0.00 0.00 26 L 9.46 5.20 0.00 1.78 1.51 1.10 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 27 R 9.28 5.11 0.00 1.86 1.93 0.00 3.33 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 28 Y 8.71 5.02 0.00 2.83 2.94 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 29 R 8.65 3.82 0.00 1.83 1.96 0.00 3.31 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 30 G 8.60 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 0.00 0.00 0.00 0.00 31 R 7.54 4.06 0.00 1.78 1.79 0.00 2.94 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 32 E 8.41 5.43 0.00 1.97 1.78 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 2.20 2.55 0.00 33 K 9.37 4.70 0.00 1.98 1.54 0.00 2.06 0.00 0.00 1.81 0.00 0.00 2.72 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.38 1.55 7.81 34 T 7.83 5.04 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 1.07 0.00 0.00 35 F 9.33 5.12 0.00 3.18 3.11 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 0.00 36 S 8.92 5.01 0.00 3.72 3.73 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 37 A 7.27 4.36 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 38 G 8.28 4.35 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 39 Y 9.12 5.25 0.00 2.91 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 40 T 8.86 3.87 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 1.32 0.00 0.00 41 R 7.82 4.52 0.00 1.79 1.84 0.00 3.28 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 42 T 8.44 4.06 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 1.22 0.00 0.00 43 T 8.00 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 1.12 0.00 0.00 44 N 8.68 4.25 0.00 2.70 2.88 0.00 0.00 6.79 6.92 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 45 N 7.93 3.98 0.00 2.31 1.67 0.00 0.00 7.08 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 46 R 7.65 3.82 0.00 1.77 1.85 0.00 3.39 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 47 M 8.05 4.06 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.79 0.00 48 E 8.41 4.01 0.00 2.23 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 0.00 2.46 2.61 0.00 49 L 7.87 3.92 0.00 1.70 1.60 0.16 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.19 3.68 0.00 1.86 1.77 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.34 7.81 51 A 8.11 3.65 1.54 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 52 A 7.61 3.94 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.68 3.58 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.83 0.00 0.00 54 E 8.20 3.87 0.00 1.46 1.83 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 2.03 2.07 0.00 55 G 7.68 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.93 4.03 0.00 1.77 1.79 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.07 4.04 0.00 1.58 1.80 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 58 A 7.18 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.23 4.18 0.00 1.72 1.63 0.45 0.69 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 60 K 8.72 4.47 0.00 1.79 1.88 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.64 7.81 61 E 7.69 4.77 0.00 2.04 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 2.25 2.39 0.00 62 P 0.00 4.46 0.00 1.95 2.16 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 63 A 8.48 4.66 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 E 8.91 4.55 0.00 2.04 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 2.21 2.19 0.00 65 V 8.88 4.69 1.81 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 0.62 0.00 0.00 0.74 0.00 0.00 66 D 8.68 4.90 0.00 2.54 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 0.00 0.00 0.00 67 L 8.04 4.61 0.00 1.13 0.78 0.68 1.03 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 68 Y 8.79 4.98 0.00 2.86 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 69 T 8.85 5.15 4.36 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 1.41 0.00 0.00 70 D 8.83 4.95 0.00 2.89 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 71 S 7.93 4.37 0.00 4.04 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 72 H 8.97 4.25 0.00 3.28 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.10 4.27 0.00 3.02 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 74 L 8.37 4.17 0.00 2.10 2.03 1.12 1.22 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 75 K 7.73 2.00 0.00 1.06 1.58 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.05 0.66 7.81 76 K 7.78 3.75 0.00 1.81 1.72 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 77 A 7.28 3.67 0.64 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 78 F 8.03 4.39 0.00 3.08 3.14 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 0.00 0.00 0.00 0.00 79 T 7.44 4.75 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 1.22 0.00 0.00 80 E 8.21 4.32 0.00 1.79 1.66 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 1.99 2.02 0.00 *99 V 8.97 3.85 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 0.78 0.00 0.00 0.86 0.00 0.00 100 K 8.62 4.03 0.00 1.86 1.94 0.00 2.03 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.55 1.53 7.81 101 N 9.01 4.28 0.00 3.13 2.87 0.00 0.00 6.77 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 0.00 102 R 8.16 4.13 0.00 1.95 1.99 0.00 3.22 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 103 D 8.22 4.41 0.00 2.92 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 0.00 104 L 7.80 4.05 0.00 1.48 1.52 0.77 0.88 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 0.00 105 W 8.03 4.26 0.00 3.57 3.15 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 0.00 106 E 8.63 4.00 0.00 2.20 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 2.34 2.41 0.00 107 A 7.81 4.03 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 0.00 108 L 8.37 3.95 0.00 1.78 2.04 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.20 4.16 0.00 2.00 1.78 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.87 4.06 0.00 1.81 1.75 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.02 4.17 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 0.00 112 M 8.36 4.19 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.59 0.00 113 A 7.72 3.99 1.40 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 0.00 0.00 0.00 114 P 0.00 4.24 0.00 1.64 1.99 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 115 H 7.90 4.96 0.00 2.91 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.44 4.30 0.00 1.88 1.77 0.00 3.04 0.00 0.00 3.05 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 117 V 7.98 4.33 1.78 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 -0.02 0.00 0.00 0.76 0.00 0.00 118 R 8.73 4.30 0.00 1.70 1.54 0.00 3.09 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 119 F 8.31 4.12 0.00 2.42 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 0.00 0.00 0.00 0.00 120 H 8.48 4.36 0.00 2.30 2.98 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.54 5.25 0.00 3.00 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 0.00 122 V 8.49 3.99 1.86 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 0.74 0.00 0.00 1.07 0.00 0.00 123 K 8.77 4.27 0.00 1.82 1.91 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 124 G 7.31 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 0.00 125 H 8.16 4.72 0.00 3.22 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.96 4.23 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 0.00 127 G 8.83 3.85 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 0.00 0.00 0.00 128 H 7.81 4.88 0.00 3.33 3.45 0.00 5.85 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 0.00 129 P 0.00 4.16 0.00 2.11 2.25 0.00 3.64 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 1.84 1.96 0.00 130 E 7.58 3.68 0.00 1.16 1.12 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 1.47 1.96 0.00 131 N 7.98 4.38 0.00 3.03 2.79 0.00 0.00 6.62 7.10 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 0.00 132 E 7.90 3.92 0.00 2.05 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 2.38 2.44 0.00 133 R 8.18 4.47 0.00 2.01 1.92 0.00 3.14 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 134 A 8.23 4.07 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.31 4.47 0.00 2.99 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 0.00 136 E 8.25 3.97 0.00 2.26 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 2.34 2.70 0.00 137 L 8.01 3.96 0.00 1.93 1.71 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.10 4.04 1.47 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 0.00 0.00 139 R 8.25 3.87 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 140 A 7.96 4.01 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 0.00 141 A 8.01 4.01 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 0.00 142 A 7.73 4.17 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 0.00 143 M 7.58 4.28 0.00 2.01 2.25 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 2.83 2.57 0.00 144 N 7.56 5.01 0.00 2.64 2.65 0.00 0.00 6.99 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 0.00 145 P 0.00 4.41 0.00 2.18 2.09 0.00 3.68 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 1.96 1.97 0.00 146 T 8.17 4.53 4.14 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 0.00 0.00 0.00 1.17 0.00 0.00 147 L 7.44 4.70 0.00 1.07 1.38 0.89 0.54 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 0.00 148 E 8.56 4.95 0.00 2.02 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 2.27 2.26 0.00 149 D 8.60 4.73 0.00 2.56 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 0.00 150 T 8.30 3.93 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 1.25 0.00 0.00 151 G 8.15 3.73 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 0.00 0.00 0.00 152 Y 7.61 4.46 0.00 2.92 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 0.00 153 Q 12.00 4.02 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.32 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.