NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 T 4.3413 8.0327 110.9428 61.0158 70.5282 174.3427 33 L 3.7728 8.8195 123.4686 57.5125 41.8853 175.5352 34 E 4.0897 9.0689 120.1166 59.4396 30.0902 177.9507 35 D 4.3971 8.0979 118.6436 57.6648 40.9894 178.5695 36 D 4.4288 8.2023 119.2246 57.2367 40.6411 178.8937 37 L 4.1146 8.0645 119.7049 57.3743 41.7067 178.7841 38 N 4.3775 8.4341 116.8734 56.8212 38.9079 176.8099 39 A 4.0513 7.9578 121.8444 55.3813 18.3734 179.7574 40 T 3.5688 7.8749 114.1629 66.9284 68.5679 176.7578 41 N 4.5764 8.6073 118.6562 56.2130 38.4328 177.5239 42 E 3.9810 8.2731 120.2167 59.4275 29.7054 178.3162 43 Y 4.0412 8.1490 119.7669 61.2328 38.6788 178.1099 44 Y 4.3610 8.1280 117.4091 61.2397 37.8093 178.8290 45 R 4.0981 8.1348 119.0496 59.3495 29.9682 178.9995 46 E 4.0151 8.2915 117.6510 58.7426 29.5418 178.5747 47 R 4.2715 7.5825 115.4230 55.1122 30.4874 176.6707 48 G 3.9365 7.4841 106.6942 46.7114 0.0000 175.4854 49 I 3.9536 8.2120 122.7409 63.4367 37.5475 176.2164 50 A 4.6413 7.4642 117.8112 51.1053 22.2302 176.6894 51 V 4.3158 8.7083 120.7248 60.8629 32.1899 173.1059 52 I 5.2202 8.1648 124.8080 59.3389 40.4028 174.2722 53 H 5.0725 9.0897 123.3761 53.4339 32.5998 173.0572 54 K 4.0659 8.6913 123.1286 56.0174 32.7382 176.7002 55 K 4.1383 8.8665 128.6145 55.5891 32.4832 175.5911 56 P 4.3222 0.0000 0.0000 62.3524 31.9926 176.4216 57 T 3.8523 8.4589 117.8228 63.9054 69.0617 171.8239 58 P 4.8047 0.0000 0.0000 62.2333 33.0130 175.3676 59 V 4.7931 8.1621 122.0299 59.9947 34.8648 174.3360 60 Q 4.4009 9.0783 125.3681 55.0441 30.2642 174.2726 61 I 4.1630 8.3114 128.2419 60.9181 37.6515 175.1123 62 V 4.1239 8.6027 126.9588 64.1387 32.3039 175.4075 63 R 4.8835 8.2726 119.7882 54.2938 32.8953 175.0321 64 V 4.7919 8.1659 121.5103 60.2447 34.5457 173.4248 65 D 4.7563 8.4522 122.2537 51.9539 42.8495 174.6872 66 Y 5.2216 8.2375 116.3488 55.0781 38.4078 173.4707 67 P 4.4032 0.0000 0.0000 61.9513 32.0405 176.9697 68 K 3.7641 8.2572 118.5016 59.8000 32.7920 177.3652 69 R 4.6586 7.2336 116.8273 53.3339 30.2781 173.8312 70 S 4.4677 7.3736 112.2940 56.9942 65.9696 175.4406 71 A 4.0283 8.4471 123.3907 51.9655 18.5329 177.2809 72 A 4.1718 8.4929 123.6842 52.1586 19.4980 176.9923 73 V 4.2296 8.2176 121.4948 60.8650 34.2091 174.6840 74 I 4.3261 8.3599 129.4917 61.5327 36.9721 175.7191 75 T 4.4045 8.5722 117.2302 61.8291 70.9590 174.4534 76 E 4.4381 7.7667 123.2049 54.7120 32.7359 173.5943 77 A 4.7328 7.7677 126.7591 51.0086 22.3313 174.5122 78 Y 4.6774 8.5003 116.9490 55.8115 42.0733 175.2195 79 F 4.7306 8.8287 121.1280 57.5507 39.7696 175.3795 80 R 4.6719 8.4635 120.2075 54.3938 32.0630 175.7155 81 Q 4.1509 8.4476 118.2151 55.0547 29.4648 176.1897 82 A 4.1106 8.4013 126.0706 52.2370 18.9170 177.5123 83 S 4.4101 8.5063 116.2967 58.9344 63.8656 173.4025 84 T 4.4547 7.1771 114.4291 60.2055 70.4078 172.5405 85 T 4.2900 8.0049 114.6922 61.5260 69.6796 173.9381 86 D 4.3444 9.0213 121.0813 55.8681 42.2727 176.3951 87 Y 4.9507 7.5884 116.1199 55.9405 41.0862 174.8019 88 N 5.0663 8.2029 119.1103 51.8272 41.4225 174.4235 89 G 4.8963 7.5555 104.7102 46.0494 0.0000 172.1495 90 V 5.3354 7.5440 117.8128 59.2354 34.5272 174.3136 91 Y 4.7836 8.6527 121.6228 57.9996 41.3253 174.7005 92 R 3.5974 9.1306 128.1794 57.2225 27.5963 177.4413 93 G 3.9844 8.2188 103.1150 45.6399 0.0000 173.7611 94 K 4.6535 7.8670 119.3725 54.7273 34.4546 174.4984 95 Y 4.9394 8.4879 122.8836 57.1710 40.2946 173.9351 96 I 4.8873 8.3509 127.7995 59.6833 40.4559 174.4270 97 D 4.9195 8.6736 125.6671 52.9861 44.8674 173.9617 98 F 5.6867 8.5701 119.7047 55.2003 42.1044 172.5796 99 E 5.1825 8.9356 119.0071 54.3436 32.9868 174.0183 100 A 5.4171 8.9188 126.6455 50.2530 21.6357 175.4959 101 K 4.8885 9.5598 121.7399 54.5835 36.8625 175.3268 102 E 5.4317 8.9005 120.0241 54.9877 32.7691 174.7614 103 T 4.5135 8.8656 115.3059 60.4338 70.8333 174.5704 104 K 4.2805 8.6200 124.4661 57.0320 32.8753 177.0517 105 N 4.4539 7.7136 118.5750 53.6548 39.2522 174.7028 106 K 4.4630 8.6716 123.6431 57.3496 33.3629 177.2216 107 T 4.5746 8.7712 108.3635 61.8560 71.1525 174.1994 108 A 5.1998 8.2165 121.5111 50.3939 22.8080 175.3149 109 F 4.1032 9.4305 123.7160 55.9961 40.5771 173.8335 110 P 4.7997 0.0000 0.0000 62.7604 31.8479 176.5863 111 L 4.9313 9.0234 121.7038 55.2380 42.0997 179.0053 112 K 4.0981 8.0388 118.0572 59.5138 32.7140 178.0742 113 N 4.2722 8.2040 116.4067 55.2602 38.6583 174.9795 114 F 5.0200 8.0293 115.9120 56.3237 41.1117 175.2560 115 H 5.2457 8.7591 119.4640 53.3662 33.1272 175.2822 116 A 3.0685 8.5650 124.7084 55.4778 18.2510 179.7299 117 H 3.9165 8.2625 114.1375 59.3176 28.5911 177.7170 118 Q 3.9956 7.9963 117.5815 59.1897 28.6615 178.6602 119 I 3.6320 7.1438 119.6124 64.2479 37.2858 178.3985 120 R 4.1150 8.0148 119.0308 58.9321 29.8783 178.7368 121 H 4.2737 8.1843 115.0327 57.0859 29.7041 176.5225 *123 E 4.2707 8.1128 120.2943 56.1041 31.3507 178.2938 124 Q 4.0508 7.8170 117.1813 58.8170 28.5329 179.0273 125 V 3.5778 7.7739 119.5067 65.7439 31.5994 178.3727 126 V 3.5559 7.7280 117.3081 66.1163 31.3542 177.5075 127 A 3.9600 7.7608 120.1125 55.3399 18.2251 177.7910 128 H 4.5283 7.9113 110.4649 55.7410 28.8510 176.0452 129 G 3.9456 8.2280 108.1288 44.9437 0.0000 174.2651 130 G 4.0236 8.0077 106.6624 46.2220 0.0000 173.6963 131 I 4.3309 8.9877 122.1289 59.6504 38.9982 174.6430 132 C 5.7496 8.7886 127.3601 56.4154 34.8253 172.6580 133 F 5.4575 8.0783 119.1900 56.0246 41.6156 172.2556 134 A 5.3844 9.3658 120.9854 50.3508 21.7393 175.6561 135 I 4.7039 8.9453 123.2818 59.9838 39.1777 174.8165 136 L 4.9059 9.1571 127.8134 52.8961 44.5086 175.3601 137 R 4.9749 9.1608 125.7033 54.7390 32.5998 175.1648 138 F 4.9709 9.7935 126.8550 56.2974 38.4261 176.7368 139 S 4.3120 9.3510 119.7838 60.2435 63.1833 175.8703 140 L 4.3657 7.9573 119.3752 55.5452 41.9457 176.9319 141 L 4.4347 7.8782 116.6692 53.5840 42.8406 175.5091 142 N 4.1849 8.2271 115.9143 55.0148 37.3515 173.5202 143 E 4.6784 8.0921 115.8120 54.7736 33.3278 176.2576 144 T 5.1491 8.1322 120.2897 61.9382 72.2595 172.6387 145 Y 5.1613 9.0294 122.2615 56.1902 42.7839 173.8737 146 L 5.0681 9.1281 125.0840 53.6377 44.3977 174.9268 147 L 5.0804 8.9769 127.6292 52.9405 45.3695 175.2750 148 D 4.8972 9.1701 125.4236 54.3948 42.0131 176.8701 149 A 4.1291 8.9264 127.6361 55.2213 18.2523 180.4504 150 S 4.1070 8.1744 112.9629 61.9811 63.0684 176.5254 151 H 4.3619 8.0062 119.5439 58.3700 28.3863 177.6139 152 L 4.0312 7.8435 121.7873 58.1427 41.9855 178.7028 153 I 3.7106 8.4307 119.9108 64.3927 37.0355 178.0621 154 A 3.9690 7.9833 121.2710 55.2513 18.3259 179.6431 155 W 4.1217 8.4200 117.1802 59.6950 29.0754 178.6777 156 W 4.0030 8.7430 128.4688 60.6117 30.2817 177.9267 157 N 4.5000 8.8545 116.8400 56.0349 37.9147 177.6564 158 K 3.8764 8.2438 120.2437 59.3261 32.0900 178.8862 159 Q 3.8505 7.8951 119.6796 59.3315 28.6663 178.1065 160 E 3.7618 7.6603 117.7834 59.5196 29.6671 178.7265 161 A 4.3668 7.5450 116.6419 52.2819 18.5628 177.8638 162 G 3.9138 8.0321 106.6086 45.5128 0.0000 175.3512 163 G 3.9666 7.8651 110.3597 44.5444 0.0000 174.3461 164 R 4.1145 8.6203 118.8840 57.1227 30.8083 176.2492 165 K 4.7688 8.5059 118.3935 55.9478 33.6194 175.5308 166 S 5.0783 7.8376 113.0833 57.3523 65.9683 173.6130 167 I 3.4869 8.8246 124.4307 59.2114 38.4419 173.6288 168 P 4.3739 0.0000 0.0000 62.9708 31.9513 177.5651 169 K 3.9227 8.9301 124.4011 59.5171 32.0972 179.4719 170 Q 3.8724 7.9126 117.4341 59.0593 28.3698 178.4033 171 E 4.0033 7.8107 120.4006 59.2627 29.4436 179.1939 172 I 3.5476 7.4347 119.3330 64.4220 37.0103 178.1139 173 E 3.7281 7.8224 118.4309 59.2151 29.2796 178.9961 174 R 4.0392 7.5615 117.2561 58.6055 30.4039 177.2317 175 H 4.7019 8.2508 113.6563 56.2371 29.7743 174.2619 176 G 4.3306 8.1915 108.2909 44.5452 0.0000 171.9430 177 H 5.0470 9.2705 116.2264 53.6356 32.4104 173.5841 178 S 4.3149 9.1549 118.6725 58.7891 62.9859 173.1323 179 I 4.5494 8.0150 128.0250 58.5761 38.6845 173.7285 180 P 4.3182 0.0000 0.0000 62.6535 32.5982 175.3675 181 L 4.9990 8.5554 124.3456 53.2145 43.5487 175.1117 182 G 4.1232 8.1500 118.0884 44.5654 0.0000 172.2525 183 Y 4.8375 7.5773 121.3861 56.0618 41.2681 174.6394 184 Q 2.5200 8.2503 118.7116 55.9946 25.8475 171.1850 185 P 4.0750 0.0000 0.0000 61.0186 33.7973 177.1936 186 R 4.5814 8.1641 116.9613 58.1371 30.0462 176.5797 187 L 4.6082 7.5946 117.7305 53.1232 43.5450 176.8073 188 D 4.6527 7.9440 128.8228 53.1152 39.6972 176.6939 189 Y 3.8794 7.5235 121.3502 59.6793 38.7604 177.9940 190 I 3.2507 6.9995 121.9100 64.0103 36.7733 178.1937 191 S 4.1215 7.8178 113.4973 61.1072 62.0773 176.4749 192 V 3.6060 7.2260 120.8908 65.8532 31.2635 178.0487 193 V 3.8522 8.0155 118.3647 66.2490 31.1804 177.5640 194 D 4.6738 8.6023 118.9388 57.7969 40.4981 178.7511 195 N 4.3621 7.6388 114.1357 56.2306 38.6700 177.4187 196 V 3.6005 7.8924 118.7732 64.7635 31.7153 176.0830 197 Y 4.6222 8.2116 112.9982 57.4249 39.5252 175.6423 198 F 4.4779 7.9396 123.4132 57.5917 39.7610 174.6660 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 32 T 8.03 4.34 4.43 0.00 0.00 0.00 0.00 0.00 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 33 L 8.82 3.77 0.00 1.82 1.76 0.94 0.77 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 34 E 9.07 4.09 0.00 2.17 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 2.45 2.55 0.00 35 D 8.10 4.40 0.00 2.97 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 36 D 8.20 4.43 0.00 2.97 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 37 L 8.06 4.11 0.00 1.98 1.63 0.69 0.27 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 38 N 8.43 4.38 0.00 2.87 3.05 0.00 0.00 7.08 8.06 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 39 A 7.96 4.05 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 40 T 7.87 3.57 4.41 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 0.84 0.00 0.00 41 N 8.61 4.58 0.00 2.92 3.22 0.00 0.00 7.10 7.62 0.00 0.00 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 E 8.27 3.98 0.00 2.25 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 2.38 2.50 0.00 43 Y 8.15 4.04 0.00 3.06 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 44 Y 8.13 4.36 0.00 3.19 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 45 R 8.13 4.10 0.00 2.04 2.01 0.00 3.14 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 46 E 8.29 4.02 0.00 1.89 1.95 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 2.66 2.49 0.00 47 R 7.58 4.27 0.00 1.56 1.78 0.00 3.25 0.00 0.00 2.96 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.62 0.00 48 G 7.48 3.94 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 0.00 0.00 0.00 49 I 8.21 3.95 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.55 0.00 0.00 50 A 7.46 4.64 1.03 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 51 V 8.71 4.32 2.16 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 1.06 0.00 0.00 0.99 0.00 0.00 52 I 8.16 5.22 2.15 0.00 0.00 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 1.53 0.95 1.22 0.00 0.00 53 H 9.09 5.07 0.00 3.07 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.69 4.07 0.00 1.69 1.63 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.54 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.09 0.63 7.81 55 K 8.87 4.14 0.00 1.46 1.64 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.29 7.81 56 P 0.00 4.32 0.00 2.02 1.97 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 57 T 8.46 3.85 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 1.34 0.00 0.00 58 P 0.00 4.80 0.00 2.13 2.17 0.00 3.69 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 2.06 1.94 0.00 59 V 8.16 4.79 1.85 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 0.72 0.00 0.00 0.76 0.00 0.00 60 Q 9.08 4.40 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 61 I 8.31 4.16 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.86 0.00 0.00 62 V 8.60 4.12 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 0.86 0.00 0.00 1.13 0.00 0.00 63 R 8.27 4.88 0.00 1.76 1.73 0.00 3.47 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 64 V 8.17 4.79 1.87 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 0.68 0.00 0.00 0.14 0.00 0.00 65 D 8.45 4.76 0.00 2.76 2.74 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 66 Y 8.24 5.22 0.00 2.79 2.90 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 67 P 0.00 4.40 0.00 2.18 2.05 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 68 K 8.26 3.76 0.00 1.77 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 69 R 7.23 4.66 0.00 1.75 1.84 0.00 3.25 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 70 S 7.37 4.47 0.00 3.92 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 71 A 8.45 4.03 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 0.00 0.00 0.00 0.00 0.00 72 A 8.49 4.17 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 73 V 8.22 4.23 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 0.90 0.00 0.00 0.89 0.00 0.00 74 I 8.36 4.33 1.75 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 1.29 0.54 0.80 0.00 0.00 75 T 8.57 4.40 4.17 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 1.16 0.00 0.00 76 E 7.77 4.44 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.18 0.00 77 A 7.77 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.50 4.68 0.00 2.88 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 79 F 8.83 4.73 0.00 3.02 2.97 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 80 R 8.46 4.67 0.00 1.85 1.97 0.00 3.06 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 81 Q 8.45 4.15 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 82 A 8.40 4.11 1.23 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 0.00 0.00 83 S 8.51 4.41 0.00 4.01 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 84 T 7.18 4.45 4.05 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 0.00 0.00 1.12 0.00 0.00 85 T 8.00 4.29 4.47 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 1.26 0.00 0.00 86 D 9.02 4.34 0.00 2.43 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 0.00 0.00 0.00 87 Y 7.59 4.95 0.00 1.43 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 0.00 0.00 0.00 88 N 8.20 5.07 0.00 2.60 2.72 0.00 0.00 6.55 6.27 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 89 G 7.56 4.90 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 0.00 0.00 0.00 90 V 7.54 5.34 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 1.04 0.00 0.00 1.01 0.00 0.00 91 Y 8.65 4.78 0.00 3.01 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 92 R 9.13 3.60 0.00 1.07 1.48 0.00 2.50 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 93 G 8.22 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 94 K 7.87 4.65 0.00 2.18 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.81 1.61 7.81 95 Y 8.49 4.94 0.00 3.14 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 96 I 8.35 4.89 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.34 1.20 0.00 0.00 97 D 8.67 4.92 0.00 2.13 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 98 F 8.57 5.69 0.00 2.65 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 99 E 8.94 5.18 0.00 2.20 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 2.58 2.50 0.00 100 A 8.92 5.42 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 0.00 101 K 9.56 4.89 0.00 1.60 1.81 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 0.66 7.81 102 E 8.90 5.43 0.00 2.04 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 2.18 2.27 0.00 103 T 8.87 4.51 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 0.47 0.00 0.00 104 K 8.62 4.28 0.00 1.75 1.83 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.39 7.81 105 N 7.71 4.45 0.00 2.62 2.76 0.00 0.00 7.10 6.70 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 0.00 106 K 8.67 4.46 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 107 T 8.77 4.57 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 1.20 0.00 0.00 108 A 8.22 5.20 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 0.00 109 F 9.43 4.10 0.00 3.15 2.97 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 0.00 110 P 0.00 4.80 0.00 1.99 1.91 0.00 2.72 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 111 L 9.02 4.93 0.00 1.79 2.04 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.04 4.10 0.00 1.88 1.98 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 113 N 8.20 4.27 0.00 2.07 2.53 0.00 0.00 6.85 7.45 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 0.00 114 F 8.03 5.02 0.00 3.40 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.99 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 0.00 133 F 8.08 5.46 0.00 3.35 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 0.00 134 A 9.37 5.38 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 0.00 135 I 8.95 4.70 1.84 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.51 0.88 0.00 0.00 136 L 9.16 4.91 0.00 1.49 0.89 0.61 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.16 4.97 0.00 1.89 1.84 0.00 3.12 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 138 F 9.79 4.97 0.00 3.09 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 0.00 139 S 9.35 4.31 0.00 3.97 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 0.00 140 L 7.96 4.37 0.00 1.70 1.80 0.94 1.00 0.00 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0.00 0.00 0.00 157 N 8.85 4.50 0.00 2.93 2.89 0.00 0.00 7.06 6.89 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 0.00 158 K 8.24 3.88 0.00 1.84 1.76 0.00 1.23 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.27 1.27 7.81 159 Q 7.90 3.85 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 160 E 7.66 3.76 0.00 2.02 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 2.22 2.18 0.00 161 A 7.54 4.37 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 0.00 162 G 8.03 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 0.00 0.00 0.00 163 G 7.87 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 0.00 164 R 8.62 4.11 0.00 2.05 2.09 0.00 3.34 0.00 0.00 3.60 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 165 K 8.51 4.77 0.00 1.70 1.77 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.40 7.81 166 S 7.84 5.08 0.00 3.91 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 0.00 167 I 8.82 3.49 1.63 0.00 0.00 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 0.69 0.44 -0.17 0.00 0.00 168 P 0.00 4.37 0.00 1.95 1.93 0.00 2.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 169 K 8.93 3.92 0.00 1.61 1.57 0.00 0.61 0.00 0.00 1.28 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.94 0.22 7.81 170 Q 7.91 3.87 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 171 E 7.81 4.00 0.00 1.98 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 2.37 2.58 0.00 172 I 7.43 3.55 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.45 0.58 0.00 0.00 173 E 7.82 3.73 0.00 1.78 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 2.19 2.12 0.00 174 R 7.56 4.04 0.00 1.85 1.84 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 175 H 8.25 4.70 0.00 3.14 2.87 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 G 8.19 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 0.00 0.00 0.00 0.00 177 H 9.27 5.05 0.00 2.98 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 9.15 4.31 0.00 3.94 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 0.00 179 I 8.01 4.55 1.80 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 1.26 0.89 0.90 0.00 0.00 180 P 0.00 4.32 0.00 2.05 2.14 0.00 3.62 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 2.01 1.95 0.00 181 L 8.56 5.00 0.00 1.62 1.63 0.92 0.87 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 0.00 182 G 8.15 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 0.00 0.00 0.00 0.00 183 Y 7.58 4.84 0.00 2.95 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 0.00 184 Q 8.25 2.52 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.99 0.00 0.00 0.00 0.00 0.00 2.20 2.47 0.00 185 P 0.00 4.07 0.00 1.73 1.42 0.00 3.53 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 186 R 8.16 4.58 0.00 1.84 1.99 0.00 3.43 0.00 0.00 3.29 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 187 L 7.59 4.61 0.00 1.68 1.62 0.93 1.05 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 0.00 188 D 7.94 4.65 0.00 2.41 2.51 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 0.00 189 Y 7.52 3.88 0.00 3.03 3.07 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 0.00 190 I 7.00 3.25 0.57 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 0.03 -0.36 0.17 0.00 0.00 191 S 7.82 4.12 0.00 3.86 4.17 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 0.00 192 V 7.23 3.61 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 0.89 0.00 0.00 0.90 0.00 0.00 193 V 8.02 3.85 2.16 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 1.30 0.00 0.00 0.87 0.00 0.00 194 D 8.60 4.67 0.00 2.98 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 0.00 195 N 7.64 4.36 0.00 2.82 2.85 0.00 0.00 7.06 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 0.00 196 V 7.89 3.60 1.61 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 0.06 0.00 0.00 0.55 0.00 0.00 197 Y 8.21 4.62 0.00 3.03 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 0.00 198 F 7.94 4.48 0.00 3.33 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 * Residues marked with a * may have inaccurate shift predictions.