NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.3584 8.2893 120.3436 55.6267 32.5994 174.5012 7 I 4.1277 7.3755 117.1544 57.5759 39.7818 174.0347 8 P 4.4936 0.0000 0.0000 63.6917 32.5443 178.5095 9 G 3.9589 8.8327 107.8909 45.9474 0.0000 176.3746 10 G 3.9181 7.7153 110.4580 45.0591 0.0000 173.1362 11 L 4.9692 8.1509 121.8431 52.6871 44.9544 176.9652 12 S 4.2162 8.5307 119.4415 58.3958 63.4901 174.0714 13 E 4.1548 8.5588 120.9726 55.9027 30.3928 176.1163 14 A 4.2665 8.4103 125.7122 52.0269 19.1558 177.0539 15 K 4.6113 8.2317 121.4919 53.6411 35.5061 174.3913 16 P 4.9510 0.0000 0.0000 62.1936 32.2184 176.1832 17 A 4.3864 8.6847 125.2335 52.5316 19.1320 177.0923 18 T 4.6361 8.1449 110.4678 58.6224 72.0994 173.3007 19 P 4.1669 0.0000 0.0000 65.5133 31.0610 178.4809 20 E 3.8189 8.0703 117.7396 59.2963 29.5216 178.7779 21 I 3.3538 7.0848 118.5210 64.3147 37.0756 178.0729 22 Q 3.8777 8.0622 120.4807 59.0441 28.7204 177.9249 23 E 3.8390 8.2472 120.3263 59.4218 29.6760 178.6092 24 I 3.5866 7.5921 119.7265 64.4744 37.1217 178.4144 25 V 3.4595 7.7712 118.5705 66.2378 31.1843 177.2045 26 D 4.3678 8.3733 117.4442 57.9696 40.8778 179.3965 27 K 4.0143 8.8024 119.0919 58.7403 32.2402 178.8099 28 V 4.0730 7.3801 118.3712 62.8249 32.2818 178.0586 29 K 3.8868 8.5186 121.2900 59.0306 32.2127 176.3230 30 P 4.4315 0.0000 0.0000 65.1683 30.4493 178.2278 31 Q 4.0377 8.7438 119.4561 58.5438 28.6918 177.9685 32 L 3.7773 7.6494 120.9236 58.0793 41.6885 178.6656 33 E 4.0294 8.2542 118.6359 59.5082 29.4587 178.9357 34 E 4.2025 7.9190 113.3242 57.7322 29.7831 177.4390 35 K 4.3678 7.3736 119.5467 57.9761 33.3341 177.4940 36 T 4.1736 7.8351 107.1036 61.3283 69.6087 175.3642 37 N 4.4355 9.4390 118.6599 53.3606 38.4168 173.7488 38 E 4.0942 7.5582 115.4192 56.6614 30.2844 176.1889 39 T 4.4476 7.6094 116.2130 62.0235 71.4451 173.1740 40 Y 4.5540 8.7851 124.9009 56.2426 39.7183 176.9606 *43 G 3.7953 8.6600 113.5508 45.2644 0.0000 172.9928 44 K 4.1850 7.4441 114.8072 56.1511 35.1329 175.9290 45 L 4.4991 8.6174 126.8827 53.2096 42.3038 176.2201 46 E 4.3557 9.0268 127.3764 54.4953 30.4071 175.3339 47 A 4.3773 8.7289 130.5689 52.5346 18.5335 176.8357 48 V 4.3810 9.6496 122.1767 62.7969 34.3680 175.6424 49 Q 5.3271 7.9669 117.8056 54.6460 33.9440 173.1334 50 Y 6.0570 8.7800 117.3165 57.3836 42.1695 173.5959 51 K 4.6608 8.7616 117.4980 55.4688 37.0121 175.9343 52 T 4.7451 8.4088 120.5390 61.5612 72.2166 173.4232 53 Q 4.4978 7.7648 119.3910 55.3561 32.0741 173.1653 54 V 4.0490 8.5412 127.6748 63.4894 32.3787 175.6921 55 V 4.3440 8.2837 119.1639 60.8026 35.4929 174.5661 56 A 4.5218 8.6387 121.6649 51.0111 18.1438 178.8125 57 G 4.3240 6.8107 115.8120 46.5045 0.0000 173.3379 58 T 4.9755 8.3232 120.9488 62.3002 73.4947 171.8118 59 N 5.4106 8.9772 123.2431 51.8711 41.5639 173.4102 60 Y 4.9234 9.3081 120.3942 56.4149 41.6179 174.4332 61 Y 4.6336 9.3716 121.6105 56.5690 40.4292 174.7882 62 I 4.8974 9.0678 127.0036 59.3516 39.7052 175.5045 63 K 4.7874 9.1969 130.5234 55.9319 32.5649 175.1615 64 V 4.8069 8.7432 128.2613 61.1561 33.7622 174.5082 65 R 4.6900 8.7671 127.8012 55.2140 32.2334 174.6245 66 A 4.4595 8.6569 124.0866 53.6259 22.4559 176.9733 67 G 3.9246 9.3644 111.5760 46.2378 0.0000 175.2225 68 D 4.8715 8.5468 123.1338 54.4467 42.0986 177.3759 *92 N 4.7574 8.5383 118.2137 54.1107 39.8347 173.9263 93 K 4.6157 8.3301 120.4114 55.2497 34.3960 174.7242 94 Y 5.2988 8.4839 122.5930 56.6158 42.4845 173.8917 95 M 5.1940 9.3903 119.9930 54.5791 37.0671 173.6474 96 H 5.4523 9.7204 119.1541 54.1784 31.6691 172.9765 97 L 4.8591 9.0493 124.3812 53.7543 43.7240 176.4037 98 K 5.3482 8.9174 123.3154 53.8348 34.0254 174.8134 99 V 4.7700 8.1325 126.7782 61.1705 34.4848 173.8035 100 F 5.4340 9.3840 127.8636 56.2557 42.4504 173.4420 101 K 4.4717 8.7191 128.1194 54.0789 34.0539 175.7935 102 S 4.3530 7.9608 122.1558 57.7865 64.0973 173.9173 102A L 4.1845 8.3876 119.6625 53.8018 41.9752 176.7020 103 P 4.1878 0.0000 0.0000 65.4915 31.5096 177.3561 104 G 3.5432 7.5957 107.2965 46.3338 0.0000 174.5283 105 Q 3.5776 8.5320 123.3969 55.0827 27.5575 172.1094 105A N 4.7278 8.3610 116.8152 52.6150 38.8930 173.4304 106 E 4.7565 8.1910 124.7984 55.2233 33.0439 175.2128 107 D 4.7880 8.3762 126.1894 53.7317 42.6249 174.9244 108 L 4.7816 8.3656 121.1291 53.8716 44.3132 175.6493 109 V 4.5697 8.2629 123.0979 61.3267 33.7664 174.2492 110 L 4.8414 9.7613 131.1607 54.7461 42.3487 176.2518 111 T 4.5533 8.7532 116.1011 60.9989 70.0133 174.2059 112 G 4.3144 7.9271 109.5028 46.9569 0.0000 171.5513 113 Y 5.5899 7.7820 116.7574 56.4004 40.7958 173.7542 114 Q 4.5368 9.1109 118.5851 54.4625 33.4206 174.3806 115 V 4.5833 8.2917 121.9109 60.9413 35.1964 173.8410 115A D 4.4730 8.5211 119.2404 55.3773 38.1965 174.3608 116 K 4.4911 8.3061 117.6599 55.1255 34.1413 176.6556 117 N 4.8559 8.9204 119.3787 52.2430 39.4330 176.4099 118 K 2.4800 8.4904 121.9407 58.9298 32.1456 177.2715 119 D 4.5362 7.7111 116.0386 54.6683 41.7502 176.1969 120 D 4.2947 7.6110 118.4323 54.4095 41.0866 176.6256 121 E 3.9321 8.7484 124.7117 56.4860 30.0953 176.7764 122 L 4.2898 8.1673 124.6659 53.7991 40.8728 175.8908 123 T 4.2716 8.0044 117.7795 59.6811 69.0432 174.8436 124 G 2.9263 7.9259 115.6403 45.5015 0.0000 173.6203 125 F 4.5033 8.0318 116.1360 57.3822 37.9998 173.8156 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 6 M 8.29 4.36 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 7 I 7.38 4.13 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 1.39 0.68 0.89 0.00 0.00 8 P 0.00 4.49 0.00 2.05 2.02 0.00 3.78 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 2.02 2.07 0.00 9 G 8.83 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 0.00 0.00 0.00 10 G 7.72 3.92 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 0.00 0.00 0.00 11 L 8.15 4.97 0.00 1.35 1.44 0.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.53 4.22 0.00 3.78 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 13 E 8.56 4.15 0.00 1.93 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 2.24 2.32 0.00 14 A 8.41 4.27 1.18 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 0.00 0.00 0.00 15 K 8.23 4.61 0.00 1.29 1.61 0.00 0.75 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.14 1.26 7.81 16 P 0.00 4.95 0.00 2.00 2.04 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 17 A 8.68 4.39 1.32 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 0.00 0.00 18 T 8.14 4.64 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 1.35 0.00 0.00 19 P 0.00 4.17 0.00 2.15 2.11 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 2.10 2.13 0.00 20 E 8.07 3.82 0.00 1.96 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 0.00 2.26 2.34 0.00 21 I 7.08 3.35 1.80 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.75 0.00 0.00 22 Q 8.06 3.88 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.65 0.00 23 E 8.25 3.84 0.00 2.05 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 2.25 2.45 0.00 24 I 7.59 3.59 1.76 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 0.55 0.00 0.00 25 V 7.77 3.46 2.18 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 0.98 0.00 0.00 0.94 0.00 0.00 26 D 8.37 4.37 0.00 2.80 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 27 K 8.80 4.01 0.00 1.72 1.83 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 28 V 7.38 4.07 2.29 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 0.85 0.00 0.00 0.92 0.00 0.00 29 K 8.52 3.89 0.00 1.75 2.00 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.54 7.81 30 P 0.00 4.43 0.00 2.30 2.29 0.00 3.72 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 2.06 2.04 0.00 31 Q 8.74 4.04 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 32 L 7.65 3.78 0.00 1.58 1.78 0.47 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.25 4.03 0.00 2.12 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 2.70 2.67 0.00 34 E 7.92 4.20 0.00 2.09 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 0.00 2.32 2.34 0.00 35 K 7.37 4.37 0.00 2.14 1.95 0.00 1.89 0.00 0.00 1.85 0.00 0.00 3.19 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.44 7.81 36 T 7.84 4.17 4.38 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 0.00 0.00 0.00 1.06 0.00 0.00 37 N 9.44 4.44 0.00 2.87 3.00 0.00 0.00 7.24 7.53 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 38 E 7.56 4.09 0.00 1.49 1.25 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 2.23 2.22 0.00 39 T 7.61 4.45 4.10 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 1.13 0.00 0.00 40 Y 8.79 4.55 0.00 2.95 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 *43 G 8.66 3.80 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 0.00 0.00 0.00 44 K 7.44 4.19 0.00 1.78 1.78 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 45 L 8.62 4.50 0.00 1.48 1.60 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.03 4.36 0.00 2.02 1.82 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 2.29 2.27 0.00 47 A 8.73 4.38 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 48 V 9.65 4.38 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 0.91 0.00 0.00 1.06 0.00 0.00 49 Q 7.97 5.33 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 50 Y 8.78 6.06 0.00 3.16 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 51 K 8.76 4.66 0.00 1.74 1.71 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.36 7.81 52 T 8.41 4.75 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 0.93 0.00 0.00 53 Q 7.76 4.50 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.10 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 54 V 8.54 4.05 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 0.83 0.00 0.00 0.91 0.00 0.00 55 V 8.28 4.34 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 0.72 0.00 0.00 1.18 0.00 0.00 56 A 8.64 4.52 1.32 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 0.00 0.00 57 G 6.81 4.32 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 0.00 0.00 0.00 58 T 8.32 4.98 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 0.82 0.00 0.00 59 N 8.98 5.41 0.00 2.70 2.37 0.00 0.00 6.54 7.04 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 60 Y 9.31 4.92 0.00 2.65 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 61 Y 9.37 4.63 0.00 2.88 2.79 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 62 I 9.07 4.90 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.97 0.00 0.00 63 K 9.20 4.79 0.00 1.96 1.83 0.00 1.40 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.50 1.63 7.81 64 V 8.74 4.81 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 0.89 0.00 0.00 0.94 0.00 0.00 65 R 8.77 4.69 0.00 1.82 1.64 0.00 3.22 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 66 A 8.66 4.46 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 67 G 9.36 3.92 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 0.00 0.00 0.00 68 D 8.55 4.87 0.00 2.75 2.38 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 0.00 0.00 0.00 0.00 *92 N 8.54 4.76 0.00 2.66 2.99 0.00 0.00 6.59 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 93 K 8.33 4.62 0.00 1.78 1.90 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.45 7.81 94 Y 8.48 5.30 0.00 3.13 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 95 M 9.39 5.19 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 96 H 9.72 5.45 0.00 3.32 3.56 0.00 5.68 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 97 L 9.05 4.86 0.00 1.67 1.65 0.88 0.69 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 98 K 8.92 5.35 0.00 2.07 2.08 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.08 0.46 7.81 99 V 8.13 4.77 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 0.94 0.00 0.00 0.90 0.00 0.00 100 F 9.38 5.43 0.00 3.17 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 0.00 101 K 8.72 4.47 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.39 7.81 102 S 7.96 4.35 0.00 3.94 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 0.00 102A L 8.39 4.18 0.00 1.75 1.63 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.19 0.00 2.03 2.15 0.00 3.67 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 2.11 0.00 104 G 7.60 3.54 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 0.00 105 Q 8.53 3.58 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 105A N 8.36 4.73 0.00 2.66 2.75 0.00 0.00 6.63 7.65 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 0.00 106 E 8.19 4.76 0.00 1.96 1.77 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 2.25 2.40 0.00 107 D 8.38 4.79 0.00 2.72 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 0.00 108 L 8.37 4.78 0.00 1.52 1.50 0.85 0.62 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 0.00 109 V 8.26 4.57 2.30 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 0.93 0.00 0.00 1.03 0.00 0.00 110 L 9.76 4.84 0.00 1.66 1.63 1.11 0.94 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 0.00 111 T 8.75 4.55 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 1.33 0.00 0.00 112 G 7.93 4.31 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 0.00 113 Y 7.78 5.59 0.00 2.96 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 0.00 114 Q 9.11 4.54 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 115 V 8.29 4.58 2.18 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 0.91 0.00 0.00 1.14 0.00 0.00 115A D 8.52 4.47 0.00 2.90 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 0.00 116 K 8.31 4.49 0.00 1.71 1.57 0.00 1.69 0.00 0.00 0.93 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.33 7.81 117 N 8.92 4.86 0.00 3.07 2.70 0.00 0.00 6.75 7.56 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 0.00 118 K 8.49 2.48 0.00 1.60 1.73 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.11 1.38 7.81 119 D 7.71 4.54 0.00 2.65 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 0.00 120 D 7.61 4.29 0.00 2.68 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 0.00 121 E 8.75 3.93 0.00 1.91 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 0.00 2.26 2.30 0.00 122 L 8.17 4.29 0.00 1.61 1.57 1.03 0.59 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 0.00 123 T 8.00 4.27 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 1.33 0.00 0.00 124 G 7.93 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 0.00 0.00 0.00 125 F 8.03 4.50 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.