NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 E 4.2831 8.5445 116.7541 55.6664 32.3920 177.4963 -7 N 4.6295 7.7968 119.0733 51.8839 36.0541 178.9207 -6 L 4.4577 7.8810 117.4982 55.5583 41.9825 179.9562 *-5 Y 4.1675 8.3565 124.3366 60.7679 37.2937 180.2884 *-4 F 4.5279 7.7851 118.6401 55.4809 39.1646 178.6357 -3 Q 4.0531 8.7394 126.5426 58.5039 29.2619 177.4563 -2 S 4.3006 8.2564 112.8535 61.7772 63.0416 175.3270 -1 N 4.3919 8.2837 115.8262 56.4213 38.3309 176.8060 0 A 4.0775 7.8482 117.4164 52.6731 17.7002 178.0071 -6 A 4.4377 7.9610 119.4982 52.9583 18.6825 180.1562 *-5 K 3.9375 8.5265 124.4366 59.0679 32.5937 180.9884 *-4 S 4.3779 7.7951 114.0401 56.0809 63.3646 177.4357 -3 R 4.0531 8.6494 127.2426 58.8039 30.7619 177.7563 -2 L 4.1706 8.1064 118.9535 58.5772 41.6416 178.3270 -1 L 3.9919 8.0437 118.9263 58.4213 41.8309 179.2060 0 L 4.0975 7.7682 115.4164 55.2731 41.0002 177.8071 9 S 4.2342 8.0629 112.5387 61.4210 62.3635 175.3459 10 E 3.9207 8.2319 121.3537 59.3601 29.2289 178.3165 11 L 3.9578 7.9105 119.5195 58.3151 42.2136 178.7890 12 L 3.9790 7.8838 118.3336 57.7093 41.3813 178.6537 13 D 4.3744 7.9691 117.0856 57.4201 41.1974 177.9697 14 Q 4.1137 7.8065 118.5467 59.3829 29.2688 178.0199 15 L 4.2402 8.0226 118.2611 55.7007 42.0943 177.8588 16 S 3.9539 7.4064 114.1798 58.7220 63.0625 173.4129 17 F 4.6601 7.4988 117.0607 55.6039 41.2196 172.7574 18 A 4.6730 8.6379 121.2398 50.2370 20.9609 175.9152 19 L 5.7067 8.5569 123.3304 52.4024 45.7806 174.8748 20 C 5.4980 8.8739 119.2434 56.8503 34.2279 172.4333 21 I 5.0766 8.9057 119.6691 59.7255 39.9096 175.4820 22 V 5.0471 8.7129 120.0937 59.6493 35.4313 175.2250 23 R 5.0838 8.5159 119.5470 54.4026 32.2448 176.6083 24 N 3.9727 8.4037 115.2336 56.5895 38.4802 177.3767 25 D 4.2838 7.8349 116.1658 55.7446 41.1151 176.5902 26 Y 3.7587 8.1070 116.1990 58.6146 35.9585 168.8781 27 V 4.4211 7.4794 119.3865 62.0417 32.8832 174.5713 28 I 4.6922 8.5110 127.3932 60.6420 37.9577 176.5007 29 V 4.3527 8.7085 120.0072 61.1430 33.0833 175.7912 30 K 4.8731 7.7469 121.0812 55.4332 35.7395 174.7774 31 V 4.8609 8.5563 123.6899 61.4878 34.1621 172.3422 32 N 3.9257 9.1339 122.2787 51.3124 39.2916 175.5897 33 E 3.9312 9.1485 123.7433 59.3795 29.6080 178.2909 34 Y 3.9831 8.0295 118.2803 60.7653 39.0571 177.5617 35 F 4.4384 8.3456 120.6502 61.7305 39.3506 176.7655 36 E 4.0140 7.9632 116.3657 59.0899 29.2922 178.6171 37 S 4.5641 7.9213 111.5535 58.6837 63.3551 174.5842 38 R 4.5407 7.9810 121.0437 56.4124 31.8549 175.9630 39 V 4.5499 7.6549 116.2947 60.1512 35.4216 179.5813 40 I 4.3398 8.0356 120.1934 57.5099 37.2982 173.7264 *47 Q 3.9866 8.4676 126.6289 56.3401 29.7251 175.0343 48 G 4.0270 9.0473 113.9849 45.4536 0.0000 174.0538 49 K 4.1499 7.6920 118.4263 55.9969 33.0725 175.0776 50 N 5.1320 8.3638 118.5710 52.5580 40.3332 175.4294 51 I 3.7999 8.6953 128.6204 64.3069 37.7972 177.6364 52 L 4.2593 7.9017 118.6758 57.2339 41.7013 178.4513 53 E 4.0505 8.1334 118.1594 59.0156 29.6919 178.3695 54 L 4.0300 7.8124 118.6353 55.8475 42.5717 177.0134 55 F 4.8509 7.5409 117.2652 54.1508 38.3295 173.7343 56 P 4.3302 0.0000 0.0000 66.4875 31.2956 179.0165 57 E 4.3012 8.2556 116.6645 60.4249 29.8763 180.1415 58 S 4.7061 7.7953 113.4525 59.7630 63.3476 176.1433 59 A 3.9885 7.6418 124.2969 55.5209 17.9514 179.2051 60 D 4.2583 8.1304 116.4520 57.8591 41.1050 178.3308 61 Y 4.1080 8.0101 119.2401 60.6407 38.9159 177.8259 62 L 4.0105 8.2842 120.0598 57.5793 41.7756 179.2232 63 K 3.7599 7.8754 119.4753 59.5547 32.0530 178.2520 64 R 3.8059 7.4007 117.3232 59.8232 29.8773 178.4693 65 K 3.8843 7.6939 117.5596 59.3115 31.8585 179.5293 66 I 3.8456 7.9087 120.0113 64.7132 36.9638 178.3451 67 D 4.5507 8.5231 118.4478 57.7542 40.7689 178.4595 68 T 3.8890 8.4566 116.9131 66.1619 68.5347 175.8909 69 A 4.6013 8.1072 122.4058 54.9406 18.3222 179.7872 70 L 4.0277 7.3877 114.9164 58.6712 40.6553 179.4013 71 V 3.8440 7.7131 112.9265 64.0238 31.5050 178.1248 72 I 3.9058 7.7561 118.5040 61.8052 36.8409 176.9515 73 E 4.1930 7.7792 116.7904 56.7413 27.8900 173.2877 74 S 4.9262 7.3332 113.6905 56.5454 66.8270 173.2109 75 S 4.9955 8.5854 115.1530 58.6584 64.2985 175.3451 76 S 4.6273 8.6105 116.7848 56.9460 64.3286 171.1742 77 F 4.6648 8.6017 124.7421 57.5670 40.1663 174.1627 78 S 4.5910 8.5904 119.9392 57.6706 66.9069 176.6649 79 S 4.3084 8.8384 123.0109 59.9172 60.8386 175.8029 *81 E 4.3713 9.4885 124.9435 57.1843 31.8048 178.7032 82 Q 3.4682 7.6624 117.1986 54.5593 28.0088 176.0205 83 K 4.4468 7.6646 119.7637 56.6772 35.5038 175.7614 84 P 4.5506 0.0000 0.0000 63.3500 32.5711 178.1541 *86 L 4.2653 7.5183 125.9222 54.5796 42.4766 182.7732 87 L 4.1175 8.8089 118.1504 54.4401 41.0726 174.1488 88 P 4.1651 0.0000 0.0000 62.0906 30.9607 177.0235 *101 Q 4.2389 7.9273 127.3542 55.2973 29.5645 175.4799 *103 Y 4.4925 8.1433 117.1866 58.8945 39.0237 172.2233 104 Q 5.3144 8.3184 117.8855 53.6924 31.6599 174.8869 105 N 4.7761 8.7828 121.9420 52.1779 40.6873 173.9454 106 L 5.2385 8.8683 124.5230 53.2074 45.4436 174.5759 107 E 5.1725 9.3383 126.2901 54.4120 33.1277 174.2874 108 V 5.0126 8.3630 125.1078 61.1894 34.6454 174.0366 109 I 5.0024 8.7814 128.7258 58.5229 40.1056 173.5208 110 P 4.7922 0.0000 0.0000 63.1544 32.0405 176.3703 111 I 4.4764 8.8939 122.5759 59.5208 39.4856 174.4472 112 H 4.3506 8.9172 124.5701 55.7025 28.9794 176.3533 113 S 4.4871 8.7027 121.3661 57.6327 63.6785 175.0626 114 E 3.9933 8.9528 121.0111 59.9404 29.1977 178.9882 115 D 4.4127 8.0708 116.6643 56.4364 39.6463 176.1695 116 G 3.8192 7.7065 109.4972 45.7719 0.0000 174.6181 117 T 3.9864 8.3086 110.7180 61.2667 69.4996 173.8857 118 I 4.5879 7.9639 124.0321 59.7542 37.4941 175.1735 119 E 4.6965 8.0646 124.7029 56.3749 30.5538 175.0932 120 H 5.5429 7.7669 113.9775 53.9576 33.5429 172.8271 121 V 5.0011 8.7078 112.6696 59.8362 35.8593 174.4009 122 C 4.9883 9.4075 124.6887 58.5844 33.4689 172.1513 123 L 5.3377 9.1975 125.6137 53.2072 44.6334 175.1960 124 C 5.2878 9.3592 120.8807 57.9850 31.9052 173.0576 125 V 4.7425 8.4072 123.8159 61.2262 33.9557 173.9553 126 Y 5.0933 8.6876 123.9230 56.4208 41.7848 174.5128 127 D 5.3649 8.7913 121.3079 53.2400 43.4346 176.2178 128 V 4.5465 7.9026 120.9813 61.1999 34.6849 175.6987 129 T 4.1438 8.5132 114.6107 61.1687 68.4567 172.7358 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 -8 E 8.54 4.28 0.00 2.01 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 2.13 1.88 0.00 -7 N 7.80 4.63 0.00 2.72 2.75 0.00 0.00 6.92 5.79 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 -6 L 7.88 4.46 0.00 1.66 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *-5 Y 8.36 4.17 0.00 2.29 2.23 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 *-4 F 7.79 4.53 0.00 2.20 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 0.00 0.00 0.00 0.00 -3 Q 8.74 4.05 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 -2 S 8.26 4.30 0.00 3.90 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 -1 N 8.28 4.39 0.00 2.90 2.89 0.00 0.00 6.85 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 0 A 7.85 4.08 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 -6 A 7.96 4.44 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 *-5 K 8.53 3.94 0.00 1.10 1.00 0.00 0.61 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *-4 S 7.80 4.38 0.00 2.95 3.02 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 R 8.65 4.05 0.00 1.74 1.93 0.00 2.21 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 -2 L 8.11 4.17 0.00 1.63 1.68 0.92 1.01 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 -1 L 8.04 3.99 0.00 1.69 1.76 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0 L 7.77 4.10 0.00 1.38 1.63 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.06 4.23 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 10 E 8.23 3.92 0.00 2.27 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 0.00 2.39 2.40 0.00 11 L 7.91 3.96 0.00 1.80 1.83 0.93 0.65 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 12 L 7.88 3.98 0.00 1.75 1.72 0.94 0.98 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 13 D 7.97 4.37 0.00 2.89 2.84 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 14 Q 7.81 4.11 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 15 L 8.02 4.24 0.00 1.70 1.80 0.95 1.09 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 16 S 7.41 3.95 0.00 3.19 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 17 F 7.50 4.66 0.00 2.63 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 18 A 8.64 4.67 0.73 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 19 L 8.56 5.71 0.00 1.57 1.50 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.87 5.50 0.00 3.22 3.23 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 21 I 8.91 5.08 1.89 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 1.28 0.87 0.89 0.00 0.00 22 V 8.71 5.05 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 0.86 0.00 0.00 1.03 0.00 0.00 23 R 8.52 5.08 0.00 1.90 2.23 0.00 2.81 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 24 N 8.40 3.97 0.00 2.68 2.74 0.00 0.00 7.46 8.38 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 25 D 7.83 4.28 0.00 2.64 2.75 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 26 Y 8.11 3.76 0.00 3.28 3.09 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 27 V 7.48 4.42 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 1.16 0.00 0.00 0.96 0.00 0.00 28 I 8.51 4.69 1.86 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 1.28 0.63 0.89 0.00 0.00 29 V 8.71 4.35 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 0.65 0.00 0.00 0.91 0.00 0.00 30 K 7.75 4.87 0.00 1.79 1.59 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 31 V 8.56 4.86 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 0.65 0.00 0.00 0.89 0.00 0.00 32 N 9.13 3.93 0.00 3.10 3.06 0.00 0.00 6.23 8.17 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 33 E 9.15 3.93 0.00 2.05 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 2.39 2.38 0.00 34 Y 8.03 3.98 0.00 2.93 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 35 F 8.35 4.44 0.00 3.12 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 36 E 7.96 4.01 0.00 1.99 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 2.25 2.27 0.00 37 S 7.92 4.56 0.00 3.96 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 38 R 7.98 4.54 0.00 1.77 1.78 0.00 2.61 0.00 0.00 2.66 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.00 39 V 7.65 4.55 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 0.67 0.00 0.00 0.93 0.00 0.00 40 I 8.04 4.34 1.87 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 1.30 1.23 0.91 0.00 0.00 *47 Q 8.47 3.99 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 48 G 9.05 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 49 K 7.69 4.15 0.00 1.73 1.68 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.28 7.81 50 N 8.36 5.13 0.00 2.78 2.70 0.00 0.00 6.49 7.95 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 51 I 8.70 3.80 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.33 1.10 0.00 0.00 52 L 7.90 4.26 0.00 1.75 1.64 0.30 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.13 4.05 0.00 1.94 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 2.25 2.37 0.00 54 L 7.81 4.03 0.00 1.51 0.47 0.75 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.54 4.85 0.00 3.25 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 56 P 0.00 4.33 0.00 2.27 2.30 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 57 E 8.26 4.30 0.00 2.09 1.92 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 2.23 1.97 0.00 58 S 7.80 4.71 0.00 4.05 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 59 A 7.64 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 60 D 8.13 4.26 0.00 2.79 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 61 Y 8.01 4.11 0.00 3.07 3.09 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 62 L 8.28 4.01 0.00 1.84 1.75 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.88 3.76 0.00 1.82 1.73 0.00 1.56 0.00 0.00 1.54 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 0.91 7.81 64 R 7.40 3.81 0.00 1.87 1.84 0.00 3.11 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 65 K 7.69 3.88 0.00 1.83 1.75 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.38 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.77 1.16 7.81 66 I 7.91 3.85 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.45 1.04 0.00 0.00 67 D 8.52 4.55 0.00 2.86 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 68 T 8.46 3.89 4.22 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 1.21 0.00 0.00 69 A 8.11 4.60 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 70 L 7.39 4.03 0.00 1.81 1.79 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.71 3.84 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 0.79 0.00 0.00 1.03 0.00 0.00 72 I 7.76 3.91 1.97 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 1.65 1.08 0.92 0.00 0.00 73 E 7.78 4.19 0.00 2.19 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 2.23 0.00 74 S 7.33 4.93 0.00 3.75 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 75 S 8.59 5.00 0.00 3.82 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 76 S 8.61 4.63 0.00 3.76 3.74 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 77 F 8.60 4.66 0.00 3.01 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 78 S 8.59 4.59 0.00 3.90 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 79 S 8.84 4.31 0.00 3.89 3.19 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 *81 E 9.49 4.37 0.00 2.01 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 2.13 1.88 0.00 82 Q 7.66 3.47 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 83 K 7.66 4.45 0.00 1.63 1.69 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.51 7.81 84 P 0.00 4.55 0.00 2.25 2.05 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 2.03 2.06 0.00 *86 L 7.52 4.27 0.00 1.69 0.59 0.92 0.91 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 87 L 8.81 4.12 0.00 1.66 1.49 0.92 0.80 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 88 P 0.00 4.17 0.00 2.12 2.12 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 *101 Q 7.93 4.24 0.00 2.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.60 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 *103 Y 8.14 4.49 0.00 2.02 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 0.00 104 Q 8.32 5.31 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 105 N 8.78 4.78 0.00 2.59 2.17 0.00 0.00 6.50 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 0.00 106 L 8.87 5.24 0.00 1.69 1.48 nan 0.83 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 0.00 107 E 9.34 5.17 0.00 2.41 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 2.50 0.00 108 V 8.36 5.01 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 1.03 0.00 0.00 0.97 0.00 0.00 109 I 8.78 5.00 1.94 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 1.34 0.80 0.96 0.00 0.00 110 P 0.00 4.79 0.00 2.11 2.07 0.00 3.75 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 2.05 2.30 0.00 111 I 8.89 4.48 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.97 0.00 0.00 112 H 8.92 4.35 0.00 3.09 3.29 0.00 5.90 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.70 4.49 0.00 4.09 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 0.00 114 E 8.95 3.99 0.00 1.96 2.05 0.00 0.00 0.00 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 2.35 0.00 115 D 8.07 4.41 0.00 2.78 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 0.00 116 G 7.71 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 0.00 0.00 0.00 117 T 8.31 3.99 4.20 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 1.19 0.00 0.00 118 I 7.96 4.59 1.80 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 1.03 1.06 0.97 0.00 0.00 119 E 8.06 4.70 0.00 1.86 1.72 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 1.84 2.07 0.00 120 H 7.77 5.54 0.00 3.09 3.21 0.00 5.61 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 0.00 121 V 8.71 5.00 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 0.71 0.00 0.00 0.99 0.00 0.00 122 C 9.41 4.99 0.00 3.04 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 0.00 123 L 9.20 5.34 0.00 1.78 1.59 0.99 0.85 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 0.00 124 C 9.36 5.29 0.00 2.91 2.45 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 0.00 125 V 8.41 4.74 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 0.93 0.00 0.00 0.76 0.00 0.00 126 Y 8.69 5.09 0.00 2.89 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 0.00 127 D 8.79 5.36 0.00 2.61 2.64 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 0.00 128 V 7.90 4.55 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 0.66 0.00 0.00 0.94 0.00 0.00 129 T 8.51 4.14 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 * Residues marked with a * may have inaccurate shift predictions.