NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2778 8.2644 123.5795 51.5714 19.8584 176.3938 3 D 4.2622 8.6192 122.8372 53.8162 42.0712 173.7337 4 E 3.9757 9.2547 127.0838 59.3099 30.4745 178.3376 5 A 4.0392 8.3901 120.9324 55.3866 18.2813 179.6848 6 L 3.9277 7.8224 116.9887 57.8403 41.6522 179.4682 7 F 4.1546 8.1526 120.1469 61.1765 39.5668 176.9622 8 L 3.7667 7.8416 118.1949 57.7929 41.3823 179.5900 9 L 3.9402 8.0066 118.9204 57.5283 41.5143 179.3495 10 L 3.7912 7.8320 120.2327 58.3909 42.0768 178.3457 11 H 3.6138 7.8821 118.5313 59.1900 29.7241 176.6744 12 N 4.3184 7.8937 118.3862 56.6338 38.5746 176.5310 13 E 3.9068 8.0773 119.9592 59.4154 29.7713 178.3710 14 M 4.1110 8.0386 118.4085 58.4282 32.0568 178.8753 15 V 3.7863 7.3566 111.8302 62.9162 32.2033 177.2288 16 S 4.5860 7.6191 115.0613 56.5023 62.6985 169.3607 17 G 3.6735 8.0377 123.4071 45.6623 0.0000 171.2370 *24 Q 4.2021 8.5717 124.3141 54.0637 30.9607 177.0840 25 G 4.0689 8.0573 103.1856 45.3566 0.0000 173.9916 26 E 3.9173 8.7412 119.1705 59.2156 29.2716 179.8052 27 V 3.5149 7.6643 118.5410 65.7824 31.7941 177.2336 28 E 3.9059 8.1727 118.4844 59.5448 29.4439 178.2683 29 N 4.4097 8.4527 116.6150 56.3308 38.6317 177.4846 30 G 3.6568 8.3020 107.0685 48.0456 0.0000 175.8161 31 R 3.9719 8.2911 121.0474 58.9821 29.9543 178.7516 32 C 4.1089 8.1552 118.4201 62.5067 31.5246 175.6132 33 I 3.7143 7.7258 121.3554 64.8986 36.6537 178.5503 34 T 3.8904 8.0259 116.3882 66.5289 68.2119 176.9292 35 K 4.0159 8.1658 120.4332 59.3146 32.1074 179.3014 36 L 4.1440 8.1836 119.4467 57.8949 41.2648 179.2123 37 E 4.1878 8.5003 119.2282 59.5926 29.7009 178.5619 38 N 4.4137 8.4872 116.6521 56.5903 38.5725 177.3866 39 M 4.2928 8.5007 120.2842 58.3358 32.1463 178.8031 40 G 2.8077 8.0801 105.8937 47.5138 0.0000 175.2340 41 F 4.2219 8.6025 123.4992 61.2883 39.5254 177.5209 42 R 3.9853 8.1358 117.4417 59.0670 29.7334 179.3287 43 V 3.7158 8.0110 118.3298 65.8128 31.7052 178.1448 44 G 3.7719 8.3794 105.8849 48.0699 0.0000 175.3267 45 Q 3.9737 7.8001 120.8810 58.7724 28.8269 179.6697 46 G 3.6528 7.9869 105.9610 47.4637 0.0000 175.8310 47 L 4.2952 8.3639 121.6579 57.9911 41.7247 179.5886 48 I 4.0098 7.8864 119.2964 64.4504 36.8041 178.0083 49 E 3.9372 8.0946 119.1866 59.1850 29.4762 178.5872 50 R 4.0153 7.7061 117.4235 59.8689 30.3599 177.7127 51 F 4.5440 8.6232 117.7176 58.3963 38.9515 175.3721 52 T 4.4575 8.2496 116.1526 60.6660 69.0017 175.3967 53 K 4.0099 8.6000 127.0657 59.0030 32.4585 177.6142 *58 F 4.5730 7.6366 116.2382 57.8139 38.8353 173.9612 59 K 4.4764 8.1225 120.4957 55.8620 32.4970 176.7558 60 D 4.5752 7.5278 115.5603 52.0618 45.0145 175.6302 61 E 3.8748 8.6577 126.3264 59.5307 29.8346 179.0746 62 L 4.0138 8.1608 118.8331 58.0816 41.6756 179.3696 63 D 4.4672 8.0152 118.2127 57.4533 40.8644 178.7161 64 I 3.5893 7.6753 120.3023 64.6272 37.0695 178.4721 65 M 3.9097 8.1152 119.6734 58.0966 31.6555 178.9230 66 K 3.9764 8.1382 118.7837 59.3191 32.2215 179.0836 67 F 4.2991 8.4537 120.8307 61.4008 39.4005 176.9470 68 I 3.7409 7.8693 119.4252 65.0087 36.8879 178.2708 69 C 4.0953 8.1905 117.1010 61.9771 27.9146 174.8724 70 K 4.2368 8.3202 119.8423 57.6838 31.5132 178.4491 71 D 4.1330 8.0110 121.4258 57.6722 41.6845 178.1087 72 F 3.6471 7.4674 120.8358 61.0404 39.4950 176.9255 73 W 4.1008 8.4677 127.9267 60.8041 30.4225 178.0964 74 T 4.0796 7.9557 115.7854 66.7849 67.6565 176.6829 75 T 3.5822 7.4019 116.7640 66.3868 68.4016 176.3650 76 V 3.0770 6.5890 118.0070 64.8096 31.5666 177.2807 77 F 4.6568 7.7349 114.7057 56.0472 39.2202 176.4284 78 K 4.4042 8.1191 116.8616 56.5775 29.9501 175.1277 79 K 4.6445 7.4516 116.0047 55.9052 35.4784 175.3409 80 Q 4.6605 8.3782 118.6199 54.7578 29.8412 176.1875 81 I 3.4630 7.9487 121.2952 61.7519 37.5359 176.6092 82 D 4.6123 8.6355 124.7227 56.9264 41.5507 176.8647 83 N 5.0322 7.9187 114.4562 51.3137 43.2016 173.2551 84 L 5.1526 8.6064 124.6007 53.3687 44.3929 175.5168 85 R 4.8503 8.9724 124.2155 54.7908 34.2109 174.3016 86 T 4.8298 8.1745 114.6703 60.5698 70.6235 173.1971 87 N 4.5311 8.3700 121.9071 52.2704 37.9153 175.0273 88 H 4.0526 7.8846 114.4652 57.0563 26.8887 174.8774 89 Q 4.4626 8.7029 115.3351 55.7820 29.8321 176.1416 90 G 4.1504 8.3494 105.7697 44.9628 0.0000 173.0084 91 I 4.9942 7.7642 120.4763 59.4794 40.2065 174.1306 92 Y 5.0704 9.1984 124.3302 56.0864 41.7568 174.8307 93 V 4.8592 8.8219 121.7725 61.2266 34.8276 174.0379 94 L 4.9880 9.1685 128.6323 53.1120 43.8881 175.0514 95 Q 4.9749 9.0296 126.2278 54.2440 31.4978 173.4858 96 D 5.2957 8.8136 126.3635 52.5751 43.0183 176.4119 97 N 4.5085 10.0711 127.1863 56.0963 39.0672 177.1989 98 K 4.8204 8.2748 119.0093 53.0845 34.0057 179.7881 99 F 4.6826 9.3797 126.7705 58.0212 40.1348 176.5263 100 R 3.8313 7.6656 127.3695 58.9879 30.0479 177.5523 101 L 4.1678 6.1379 114.9186 55.5166 42.2101 177.5576 102 L 4.1726 7.6505 119.1660 56.7467 42.0694 178.3482 103 T 4.2814 7.4338 101.1506 62.7510 72.1162 173.6803 *115 A 4.5303 7.9735 125.8877 52.5795 20.8085 178.7654 116 S 4.1373 8.2376 109.4148 61.6862 62.4118 176.1240 117 K 3.8669 8.3443 120.5327 60.0060 31.5178 177.8603 118 Y 4.4594 7.9874 114.0850 59.2438 38.2874 176.5825 119 L 4.8617 8.2557 119.2408 55.0342 42.6393 178.3376 120 A 4.1079 7.7849 120.3406 55.2706 18.3350 179.1348 121 F 4.4157 8.6161 118.6652 62.2169 39.4094 177.3694 122 T 4.1372 8.4546 114.7148 66.6768 68.4356 176.2020 123 C 4.3605 8.8699 119.3303 63.1720 28.1593 176.6298 124 G 3.6900 8.1863 107.0228 47.1836 0.0000 175.4914 125 L 4.0947 8.0464 121.8522 57.8806 41.6382 179.8450 126 I 3.5577 7.8710 119.1891 64.3871 37.0384 178.4716 127 R 4.0200 8.1671 119.6395 59.4659 29.9185 178.8229 128 G 2.7109 8.8307 106.0558 47.1659 0.0000 175.8781 129 G 3.2154 8.0478 108.5548 47.4800 0.0000 175.6246 130 L 3.7902 7.7865 122.3415 57.2530 41.6272 179.5276 131 S 4.4718 8.0003 114.3686 61.0730 62.1559 176.1398 132 N 4.3918 7.7880 117.1430 55.3434 38.2405 176.2966 133 L 4.3367 7.0424 118.6628 54.1817 41.8973 177.0250 134 G 3.9494 8.0536 107.3946 44.8842 0.0000 173.1896 135 I 4.4814 7.9176 120.6890 58.9690 40.0817 174.6313 136 K 4.6883 8.6478 128.7564 55.7562 33.6583 175.3825 137 S 5.1500 8.5181 119.8217 57.3274 66.5268 172.9078 138 I 4.5360 8.9396 121.9104 59.5394 39.5101 174.8306 139 V 5.0622 8.5824 126.9355 61.3217 33.7294 174.4315 140 T 4.9757 8.8761 116.6723 60.2416 72.6217 172.2695 141 A 4.9499 8.1980 121.4342 51.0386 22.2096 175.3961 142 E 4.5951 8.5738 117.8483 54.3550 34.6578 175.4833 143 V 3.9888 8.2957 122.7615 62.6546 31.6810 176.1617 144 S 4.1488 8.3686 123.1275 60.5182 63.3626 175.3290 145 S 4.2781 7.8716 120.6458 56.4670 64.0592 172.8153 146 M 4.0040 8.5605 124.6590 55.2753 32.3767 173.7035 147 P 4.9145 0.0000 0.0000 62.8226 33.0979 174.8754 148 A 4.7986 8.1913 122.8531 52.7492 19.6907 177.2671 149 C 5.0599 9.2827 118.1199 57.8702 33.3550 173.1953 150 K 4.9632 8.7104 120.7058 54.6724 35.1419 175.0388 151 F 5.0411 9.3195 124.4132 55.8581 41.2941 174.4220 152 Q 4.9314 9.3412 126.1399 54.6534 30.9407 174.2281 153 V 4.7512 9.1886 126.9536 61.6460 34.0846 174.2476 154 M 4.9825 9.0164 129.7569 53.6475 33.3668 175.7572 155 I 4.3652 8.7064 126.4306 61.3690 37.9135 175.9531 156 Q 4.4905 8.7415 126.6430 54.3802 29.4960 176.3017 157 K 4.1224 8.8216 124.7357 59.1489 32.7804 176.5995 158 L 4.0856 7.5893 122.5258 56.1591 39.8387 174.6003 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 A 8.26 4.28 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 3 D 8.62 4.26 0.00 2.77 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 4 E 9.25 3.98 0.00 2.06 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 2.42 2.43 0.00 5 A 8.39 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.82 3.93 0.00 1.82 1.75 0.93 1.36 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 7 F 8.15 4.15 0.00 3.07 3.17 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 8 L 7.84 3.77 0.00 1.90 1.67 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.01 3.94 0.00 1.84 1.66 0.90 0.37 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 10 L 7.83 3.79 0.00 1.87 1.57 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 H 7.88 3.61 0.00 2.19 2.78 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.89 4.32 0.00 3.05 2.90 0.00 0.00 6.88 7.00 0.00 0.00 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 8.08 3.91 0.00 2.00 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 2.28 2.34 0.00 14 M 8.04 4.11 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 15 V 7.36 3.79 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 0.42 0.00 0.00 0.44 0.00 0.00 16 S 7.62 4.59 0.00 4.05 3.90 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 0.00 0.00 0.00 17 G 8.04 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 Q 8.57 4.20 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 25 G 8.06 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 26 E 8.74 3.92 0.00 2.21 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 2.37 2.38 0.00 27 V 7.66 3.51 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 1.11 0.00 0.00 0.93 0.00 0.00 28 E 8.17 3.91 0.00 2.11 2.15 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 2.38 2.47 0.00 29 N 8.45 4.41 0.00 2.86 2.86 0.00 0.00 6.96 8.10 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 30 G 8.30 3.66 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 0.00 0.00 0.00 31 R 8.29 3.97 0.00 2.05 2.00 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 32 C 8.16 4.11 0.00 2.99 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 33 I 7.73 3.71 2.04 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 1.72 0.76 0.95 0.00 0.00 34 T 8.03 3.89 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 1.21 0.00 0.00 35 K 8.17 4.02 0.00 2.02 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 36 L 8.18 4.14 0.00 1.96 1.90 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.50 4.19 0.00 2.19 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 0.00 2.63 2.57 0.00 38 N 8.49 4.41 0.00 3.02 2.90 0.00 0.00 7.10 8.33 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 39 M 8.50 4.29 0.00 2.41 2.54 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.68 0.00 40 G 8.08 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 0.00 0.00 0.00 41 F 8.60 4.22 0.00 3.09 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 42 R 8.14 3.99 0.00 2.13 2.03 0.00 3.46 0.00 0.00 3.47 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.89 0.00 43 V 8.01 3.72 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 1.17 0.00 0.00 1.21 0.00 0.00 44 G 8.38 3.77 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 0.00 0.00 0.00 45 Q 7.80 3.97 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.18 1.78 0.00 46 G 7.99 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 47 L 8.36 4.30 0.00 2.12 2.04 0.56 1.27 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 48 I 7.89 4.01 2.02 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 1.63 1.03 0.87 0.00 0.00 49 E 8.09 3.94 0.00 2.12 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 0.00 2.32 2.32 0.00 50 R 7.71 4.02 0.00 1.70 1.56 0.00 3.23 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.28 0.00 51 F 8.62 4.54 0.00 3.23 3.12 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 0.00 52 T 8.25 4.46 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 1.45 0.00 0.00 53 K 8.60 4.01 0.00 1.79 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.49 7.81 *58 F 7.64 4.57 0.00 3.00 2.96 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 59 K 8.12 4.48 0.00 1.75 1.83 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.40 7.81 60 D 7.53 4.58 0.00 2.73 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 61 E 8.66 3.87 0.00 2.10 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 2.40 2.39 0.00 62 L 8.16 4.01 0.00 1.83 1.79 1.03 1.33 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 63 D 8.02 4.47 0.00 3.08 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 64 I 7.68 3.59 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.73 0.63 0.00 0.00 65 M 8.12 3.91 0.00 1.59 1.76 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.21 0.00 66 K 8.14 3.98 0.00 2.05 1.92 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.60 7.81 67 F 8.45 4.30 0.00 3.44 3.25 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 0.00 68 I 7.87 3.74 1.94 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.79 0.93 0.00 0.00 69 C 8.19 4.10 0.00 3.09 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 70 K 8.32 4.24 0.00 1.79 1.59 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.61 7.81 71 D 8.01 4.13 0.00 1.58 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.47 3.65 0.00 2.81 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 73 W 8.47 4.10 0.00 3.73 3.27 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 74 T 7.96 4.08 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 1.18 0.00 0.00 75 T 7.40 3.58 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 0.06 0.00 0.00 76 V 6.59 3.08 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 -0.83 0.00 0.00 -0.09 0.00 0.00 77 F 7.73 4.66 0.00 2.88 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 78 K 8.12 4.40 0.00 1.93 1.90 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.48 7.81 79 K 7.45 4.64 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.70 1.75 7.81 80 Q 8.38 4.66 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 81 I 7.95 3.46 1.56 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.14 0.74 0.00 0.00 82 D 8.64 4.61 0.00 2.70 2.72 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 0.00 0.00 0.00 83 N 7.92 5.03 0.00 2.55 2.62 0.00 0.00 6.58 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 84 L 8.61 5.15 0.00 1.60 1.54 0.96 0.98 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 85 R 8.97 4.85 0.00 1.74 1.72 0.00 3.10 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 86 T 8.17 4.83 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 0.80 0.00 0.00 87 N 8.37 4.53 0.00 2.82 2.81 0.00 0.00 6.94 7.92 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 88 H 7.88 4.05 0.00 3.28 3.38 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.70 4.46 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.91 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 90 G 8.35 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 0.00 0.00 0.00 0.00 91 I 7.76 4.99 1.79 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 1.34 0.84 0.90 0.00 0.00 92 Y 9.20 5.07 0.00 2.89 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 93 V 8.82 4.86 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 0.97 0.00 0.00 0.92 0.00 0.00 94 L 9.17 4.99 0.00 1.58 1.25 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 9.03 4.97 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 96 D 8.81 5.30 0.00 2.91 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 97 N 10.07 4.51 0.00 2.81 2.89 0.00 0.00 6.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.27 4.82 0.00 1.72 1.55 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.25 7.81 99 F 9.38 4.68 0.00 3.12 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 0.00 100 R 7.67 3.83 0.00 1.60 1.91 0.00 3.35 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 101 L 6.14 4.17 0.00 1.45 1.77 1.09 0.92 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 0.00 102 L 7.65 4.17 0.00 1.89 1.68 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.43 4.28 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 1.14 0.00 0.00 *115 A 7.97 4.53 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 0.00 116 S 8.24 4.14 0.00 3.93 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 0.00 117 K 8.34 3.87 0.00 1.81 1.58 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 118 Y 7.99 4.46 0.00 3.22 3.25 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 0.00 119 L 8.26 4.86 0.00 1.76 1.72 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.78 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.62 4.42 0.00 3.28 3.37 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 0.00 122 T 8.45 4.14 4.85 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 1.19 0.00 0.00 123 C 8.87 4.36 0.00 3.35 3.27 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 0.00 124 G 8.19 3.69 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 0.00 0.00 0.00 125 L 8.05 4.09 0.00 1.99 1.96 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.87 3.56 2.08 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.05 0.90 0.00 0.00 127 R 8.17 4.02 0.00 2.01 2.15 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.80 0.00 128 G 8.83 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 0.00 0.00 0.00 129 G 8.05 3.22 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 0.00 130 L 7.79 3.79 0.00 1.74 1.63 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.00 4.47 0.00 4.13 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 0.00 132 N 7.79 4.39 0.00 2.60 2.78 0.00 0.00 7.07 8.02 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 0.00 133 L 7.04 4.34 0.00 1.38 1.23 0.15 0.36 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 0.00 134 G 8.05 3.95 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 0.00 0.00 0.00 135 I 7.92 4.48 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.45 0.88 0.00 0.00 136 K 8.65 4.69 0.00 1.85 1.67 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.45 7.81 137 S 8.52 5.15 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 0.00 138 I 8.94 4.54 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.93 0.00 0.00 139 V 8.58 5.06 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 1.02 0.00 0.00 1.00 0.00 0.00 140 T 8.88 4.98 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 1.24 0.00 0.00 141 A 8.20 4.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.60 0.00 1.78 1.71 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 2.17 2.18 0.00 143 V 8.30 3.99 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 0.88 0.00 0.00 0.93 0.00 0.00 144 S 8.37 4.15 0.00 3.98 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 0.00 145 S 7.87 4.28 0.00 3.97 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 0.00 146 M 8.56 4.00 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 147 P 0.00 4.91 0.00 2.19 2.24 0.00 3.76 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 2.05 1.97 0.00 148 A 8.19 4.80 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 0.00 149 C 9.28 5.06 0.00 2.60 2.20 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 0.00 150 K 8.71 4.96 0.00 1.52 1.59 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.30 7.81 151 F 9.32 5.04 0.00 2.94 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 0.00 152 Q 9.34 4.93 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 153 V 9.19 4.75 2.20 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 1.04 0.00 0.00 0.98 0.00 0.00 154 M 9.02 4.98 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 155 I 8.71 4.37 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.95 0.00 0.00 156 Q 8.74 4.49 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 157 K 8.82 4.12 0.00 1.72 1.84 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.38 7.81 158 L 7.59 4.09 0.00 1.75 1.56 0.92 0.51 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 * Residues marked with a * may have inaccurate shift predictions.