NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6217 8.2233 120.1991 54.4193 43.3569 177.2079 6 C 4.2029 8.0572 116.0123 61.5402 27.8338 174.8878 7 R 3.8849 8.1796 122.0815 61.1732 29.5426 183.5261 8 S 4.4442 7.8094 112.0785 61.5611 62.8552 176.0412 9 R 4.1114 7.8835 120.5761 58.8954 29.7156 179.5723 10 L 4.1321 7.5535 116.6931 54.9591 41.4477 178.7825 *12 E 4.1901 8.1186 120.8044 56.3651 31.5397 177.9644 13 V 3.5594 7.9703 117.6527 65.8405 31.4273 177.7189 14 A 3.8064 8.5167 120.8416 55.4318 18.1831 179.6388 15 T 4.1939 8.0216 113.6264 67.2508 68.5340 176.6297 16 E 4.0551 8.3531 120.2955 59.1083 29.3647 179.4998 17 L 3.9593 8.0437 119.1714 57.8157 41.8338 179.4605 18 F 4.5537 8.5549 117.9074 60.4826 38.6324 177.5948 19 A 3.1386 8.2699 120.1163 54.7595 18.1790 179.2530 20 Q 3.9924 7.7212 116.9395 58.9250 29.4204 177.8420 21 K 4.4605 8.1625 116.0966 54.3311 33.6248 176.8947 22 G 4.1964 7.8242 108.4412 44.4938 0.0000 174.4314 23 F 3.7240 8.7155 121.0713 61.4081 38.7910 176.7491 24 Y 4.2740 8.1038 116.0102 59.3477 37.9668 176.6357 25 G 4.0540 7.9233 107.7721 44.9418 0.0000 173.3997 26 V 4.4325 7.2666 119.0986 60.8013 33.6968 175.5371 27 S 4.7604 8.1458 121.3301 56.4971 66.6138 175.2272 28 I 3.6477 8.0879 122.3258 64.0865 37.6971 178.0230 29 R 3.8669 7.9524 119.1982 59.5901 29.8923 178.0660 30 E 3.9140 7.9804 117.8619 59.3555 29.4408 179.4171 31 L 3.8270 7.7370 118.2864 57.6695 41.6935 179.4103 32 A 4.0206 8.1067 123.0240 55.8363 18.1230 180.2507 33 Q 3.9248 7.9429 117.6119 60.5095 28.2953 180.3410 34 A 4.2685 7.9875 121.5511 54.2995 18.4877 178.7982 35 A 4.3183 8.0115 117.2741 51.5571 19.2715 177.7254 36 G 3.7549 8.0515 104.7538 46.3773 0.0000 173.6191 37 A 4.7195 7.7666 121.0749 49.7934 21.2926 177.7188 38 S 4.5625 8.2626 114.0303 57.4458 64.6348 174.5929 39 I 3.9070 8.5232 122.7735 65.0569 37.0284 180.1256 40 S 4.7269 7.9687 114.9980 58.8875 62.1749 176.4704 *42 I 4.4528 7.9881 122.1901 61.8345 38.8126 178.5484 43 S 4.1373 8.6445 115.1749 61.5184 62.7354 175.2444 44 Y 4.2341 8.3932 116.6787 59.2433 38.2456 176.0616 45 H 4.7373 8.2768 114.6859 55.8702 30.9104 174.8144 46 F 4.7841 8.2772 115.1547 57.0611 39.5308 175.9666 47 G 3.7783 8.5019 108.4200 45.2766 0.0000 175.5054 48 G 4.2668 8.3862 110.7812 44.3308 0.0000 174.3822 49 K 4.0340 8.7565 117.8905 59.9529 31.7452 178.7854 50 E 4.3604 8.3474 118.1823 59.4361 29.6091 179.2307 51 G 3.7326 8.3329 105.7972 47.9626 0.0000 175.6830 52 L 4.1746 8.2973 121.6856 57.5973 41.5817 179.0006 53 Y 3.7272 8.5596 119.4533 60.5153 38.6884 177.8202 54 A 3.7491 8.4245 121.8508 55.1023 18.4343 179.4822 55 A 3.8814 8.0932 119.1170 55.2227 18.4413 180.0221 56 V 3.3806 7.7904 116.7740 66.1077 31.6487 178.0736 57 L 3.5660 7.5646 120.2338 57.8364 41.6577 178.6302 58 Q 3.9272 8.0543 119.7460 59.1141 28.7607 177.9139 59 E 3.9203 7.8599 119.3002 59.3643 29.7411 178.4130 60 Q 3.9863 7.8814 117.2411 58.1833 29.0178 177.8873 61 F 4.6913 8.2088 115.8972 56.9241 39.4310 177.1834 62 A 4.0878 7.7776 123.0043 55.8832 18.2389 179.9316 63 C 4.2776 8.3143 114.0481 62.8057 27.9452 175.9689 64 F 4.8076 8.7508 118.5805 59.4976 38.5791 176.6366 65 G 4.1876 8.2184 104.0056 44.1462 0.0000 174.2792 66 Q 4.5752 7.8098 119.4673 53.4841 29.0862 175.3478 67 L 4.1493 7.5831 117.1663 54.5012 42.5345 177.4205 68 D 4.4541 7.8931 122.3229 57.4929 40.4677 178.2090 69 D 4.3038 7.9407 118.2562 56.7814 41.0497 178.2614 70 I 3.9832 7.2726 119.7632 64.0411 37.7112 178.1215 71 R 4.0186 8.2609 119.3272 59.2887 29.6699 179.2177 72 G 3.7311 8.2107 104.3535 46.8319 0.0000 174.6626 73 Q 4.3198 8.0464 118.8872 54.7909 29.2792 175.3578 74 A 4.1269 7.2572 123.6585 54.0709 18.8143 177.5056 75 G 4.0727 9.2867 109.2733 45.4439 0.0000 173.4279 76 D 4.6625 7.9930 118.1656 51.1718 41.6576 173.5893 77 P 4.7958 0.0000 0.0000 64.5239 31.9075 177.9092 78 L 4.2340 8.2852 118.5253 58.0887 42.3860 177.8111 79 A 4.1534 8.3431 121.1775 55.2987 18.5434 179.9558 80 V 3.8193 7.9991 111.7864 64.5287 31.4533 177.6164 *82 T 4.2970 8.0669 116.1852 63.2884 70.3413 176.0933 83 A 4.0341 8.3553 123.2073 55.2113 18.1719 178.9118 84 Y 4.1434 8.4464 118.3852 60.9375 38.8216 178.3973 85 L 3.7238 7.9668 119.2045 57.7651 41.7806 179.3432 86 R 3.8303 8.0885 118.5235 59.1412 29.9870 178.3164 87 W 4.0710 8.4724 128.4524 60.7842 30.6903 178.1239 88 T 3.1094 7.8717 115.7635 66.3089 67.7327 176.7571 89 I 3.4072 7.7161 121.8752 64.2700 37.0989 177.9873 90 Q 3.8001 7.9085 120.3377 59.3643 28.7964 178.8027 91 R 3.4868 7.3680 118.6970 59.5945 29.7668 178.8656 92 H 3.9258 7.1672 114.4415 58.6670 28.5798 177.8556 93 R 4.0233 7.6642 119.2893 59.2645 29.9815 178.5777 94 N 4.6604 8.2361 115.5895 54.5324 39.7288 175.0186 95 N 4.8379 7.7471 118.3922 50.5193 39.2756 172.4778 96 P 4.3203 0.0000 0.0000 64.7443 31.9132 177.7914 97 Q 4.2589 8.4323 116.6726 57.5312 29.3522 177.9528 98 L 4.1937 8.1264 120.3547 58.2365 42.0020 178.8679 99 L 4.1504 7.9233 118.1268 57.2484 41.5699 179.4365 100 R 3.9229 7.8046 118.6138 59.4902 29.9712 179.0415 101 F 4.4047 8.2624 116.9365 60.6133 39.0939 177.0893 102 Y 4.4577 8.8651 119.9627 61.1975 38.7506 178.2504 103 T 4.1566 8.5749 110.9926 64.7950 68.9384 176.5300 104 S 4.1667 8.3887 116.0106 61.3383 62.0338 176.0508 105 E 4.1661 8.7450 121.5579 59.5083 29.0040 179.3995 106 L 3.8394 7.9507 118.2370 57.0119 41.7577 178.5975 107 T 4.4441 7.8054 107.4899 61.6056 70.9498 175.0369 108 N 4.9967 8.3391 119.1449 51.0949 39.9799 172.3143 109 P 4.6908 0.0000 0.0000 62.4085 32.5972 176.8596 110 T 4.6443 8.7640 110.3886 58.4447 71.3719 173.3261 111 P 4.2190 0.0000 0.0000 65.6670 31.0780 178.0826 112 C 4.2369 7.9951 114.9137 61.1894 27.9657 175.5692 113 F 3.8844 8.2890 123.3896 61.2986 38.8797 176.9276 114 A 3.8066 7.9574 118.1774 54.8522 18.2792 178.9413 115 A 4.0188 7.2864 117.9236 54.1454 18.2676 177.7804 116 I 4.0380 7.3853 115.3205 62.7535 39.7870 178.2439 117 V 2.3304 7.0088 118.6238 65.3995 31.2702 177.7728 118 S 3.5338 7.0833 113.3377 60.6661 62.1158 174.3760 119 P 4.1166 0.0000 0.0000 65.5556 30.6206 178.1929 120 A 3.9904 7.3257 119.7235 55.0981 18.2965 179.6901 121 I 3.9255 7.6522 118.0810 64.5878 37.1439 178.5058 122 A 4.0422 8.3002 122.2357 55.2045 18.2139 179.7557 123 S 4.0847 8.3412 112.8782 61.6043 62.9550 177.0927 124 V 3.5710 7.7524 121.5190 65.8020 31.3221 178.0555 125 I 3.6690 7.9859 119.6185 64.3832 36.9295 178.5452 126 R 3.9060 8.3397 119.2289 59.1830 29.9641 178.7476 127 L 3.9164 7.7806 119.8159 58.1849 42.0717 179.0432 128 L 3.9051 7.9694 118.5587 57.7798 41.5739 179.3397 129 A 4.0425 8.3140 121.0448 55.2301 18.3022 179.4684 130 E 4.2263 8.6469 118.8119 59.0947 29.6428 179.6108 131 S 4.1653 8.0046 112.6579 61.3730 62.2577 176.2003 132 I 4.0578 7.8042 121.5012 64.6043 36.7299 177.7669 133 E 4.1581 8.8091 119.5401 59.5475 29.3257 179.4341 134 A 4.1856 8.2737 120.8069 54.8350 18.4293 180.6395 135 G 3.3017 8.1026 102.9320 45.3194 0.0000 175.7596 *137 T 4.2848 7.9213 119.3195 63.3806 70.3292 176.4450 138 R 3.7748 7.9095 118.0398 57.1273 30.1794 177.7800 139 G 3.9428 7.5482 105.9503 45.3837 0.0000 174.6269 140 L 3.9967 7.5939 120.4695 56.4755 41.7617 177.4093 141 F 5.3219 7.3960 114.8447 55.1989 41.7432 175.3773 142 R 4.1221 8.4357 122.2281 56.6362 30.3633 177.2901 143 R 4.2701 8.4808 119.6903 57.0572 30.6086 176.6410 144 D 4.7120 7.9431 116.8610 52.9243 39.7892 175.8578 145 L 4.7407 7.4665 118.8122 53.3952 44.5939 175.9464 146 H 4.6162 8.4801 118.5905 54.6890 30.5009 176.4109 147 A 4.0050 8.5991 127.8179 55.3574 18.3577 179.9772 148 V 3.5498 7.7524 116.1859 66.3302 31.7619 177.8022 149 N 4.3829 8.2146 115.7016 56.3322 38.3386 177.5181 150 S 4.2340 8.2727 116.4701 61.5007 62.9297 176.2546 151 A 3.9243 8.3549 123.8438 55.4256 18.0402 179.6922 152 L 3.9458 8.3591 117.4080 57.7335 41.4156 179.5822 153 A 3.9991 7.8850 119.9244 55.1160 18.4480 179.1342 154 L 3.6321 7.4274 117.1477 58.1188 42.3314 178.6477 155 A 4.7876 7.6363 122.3219 54.4494 18.2178 180.3495 156 G 3.9934 8.3855 103.9641 45.0512 0.0000 176.0461 *158 V 4.4239 7.8049 122.2075 61.5634 33.5028 177.3898 159 N 4.6179 8.5747 118.1638 56.0435 38.1982 176.8495 160 Y 4.0344 8.6753 121.5003 60.2678 38.6313 177.2549 161 F 4.0274 8.5812 120.7169 61.5105 39.8312 176.7331 162 F 4.0560 8.0123 115.8337 60.1928 38.5519 177.4773 163 L 3.9189 7.9656 119.5669 57.8394 42.1487 178.3018 164 S 4.2032 7.5456 112.0054 58.4691 63.1237 175.7114 165 T 3.2835 7.2544 120.8361 67.1920 68.0101 176.2150 166 L 4.1068 7.7357 118.0154 57.0805 41.7379 178.3517 167 A 4.4745 7.7767 118.7129 52.3824 19.3655 177.4000 168 T 4.6208 7.4100 107.8318 61.1081 69.5578 176.3479 169 E 3.8680 8.6244 123.7207 60.1796 29.4939 178.2576 170 G 3.9680 7.9649 103.8685 45.5200 0.0000 173.8116 171 L 4.4113 7.6841 119.8955 55.9219 42.7390 176.2910 172 T 4.4884 7.2095 109.9842 60.6757 70.0869 172.4072 173 S 4.3424 8.4195 119.8528 58.5616 62.9666 173.4417 174 H 5.0015 8.5269 122.9431 55.4863 29.3480 174.1607 175 S 4.3004 8.0401 115.5757 57.5231 62.9098 173.5803 176 P 4.7520 0.0000 0.0000 64.9613 31.3629 178.0877 177 D 4.4037 7.6924 117.3890 57.1325 40.9457 178.0035 178 Q 4.4891 8.1073 116.1399 55.7653 28.8989 177.1078 179 D 4.2362 7.9851 122.8080 57.4803 40.8398 178.5103 180 E 3.9387 8.0416 118.6620 59.2291 29.4696 178.8218 181 E 3.9129 8.0198 119.0871 58.8226 29.6557 178.4197 182 L 3.4512 7.7644 120.6243 57.8944 42.0067 178.8322 183 I 3.6151 7.6081 119.7401 64.4707 37.1879 178.1825 184 R 3.9003 7.8804 119.2357 59.7559 29.8017 178.5875 185 Q 4.0650 8.1834 117.7572 59.2118 28.6135 178.2544 186 Y 4.4871 8.3391 118.0110 60.7096 37.9871 178.1120 187 V 3.7275 8.4052 119.6417 65.9283 31.5505 177.9785 188 A 4.0320 8.0380 120.0962 55.2941 18.2514 179.5669 189 I 3.6770 8.0725 118.5018 64.6651 37.0070 178.5293 190 F 4.2517 8.4600 120.6267 61.2764 39.2826 176.6746 191 T 4.0038 7.9362 108.1585 63.1674 69.2708 175.6120 192 R 4.3606 8.1670 117.4315 54.3959 32.1277 176.6970 193 G 3.8718 8.0000 107.5791 44.7631 0.0000 174.2295 194 I 4.0030 7.8732 110.8001 59.0619 36.2642 175.5215 *196 A 4.1037 7.8873 130.3514 53.2070 18.7036 176.8682 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 5 D 8.22 4.62 0.00 2.79 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 6 C 8.06 4.20 0.00 3.15 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 7 R 8.18 3.88 0.00 1.91 1.85 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 8 S 7.81 4.44 0.00 3.87 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 9 R 7.88 4.11 0.00 1.88 1.92 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 10 L 7.55 4.13 0.00 1.50 1.45 -0.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *12 E 8.12 4.19 0.00 2.07 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 0.00 2.27 2.37 0.00 13 V 7.97 3.56 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 0.87 0.00 0.00 0.89 0.00 0.00 14 A 8.52 3.81 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.02 4.19 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 E 8.35 4.06 0.00 2.01 2.01 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 2.59 2.56 0.00 17 L 8.04 3.96 0.00 1.42 1.48 0.78 0.82 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 18 F 8.55 4.55 0.00 3.65 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 3.14 1.24 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 0.00 0.00 20 Q 7.72 3.99 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 21 K 8.16 4.46 0.00 1.83 1.82 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.40 7.81 22 G 7.82 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 0.00 0.00 0.00 0.00 23 F 8.72 3.72 0.00 1.51 2.33 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 24 Y 8.10 4.27 0.00 3.12 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 25 G 7.92 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 0.00 0.00 0.00 0.00 26 V 7.27 4.43 2.07 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 0.38 0.00 0.00 0.87 0.00 0.00 27 S 8.15 4.76 0.00 3.99 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 28 I 8.09 3.65 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.34 0.91 0.00 0.00 29 R 7.95 3.87 0.00 1.90 1.89 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 30 E 7.98 3.91 0.00 2.12 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 2.28 2.31 0.00 31 L 7.74 3.83 0.00 1.82 1.63 0.86 0.15 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 32 A 8.11 4.02 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 33 Q 7.94 3.92 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 34 A 7.99 4.27 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 35 A 8.01 4.32 1.24 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 0.00 0.00 36 G 8.05 3.75 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 0.00 0.00 0.00 37 A 7.77 4.72 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 38 S 8.26 4.56 0.00 4.03 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 39 I 8.52 3.91 1.92 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 1.43 0.61 0.96 0.00 0.00 40 S 7.97 4.73 0.00 3.92 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 0.00 *42 I 7.99 4.45 2.13 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 1.44 0.99 1.01 0.00 0.00 43 S 8.64 4.14 0.00 3.89 3.70 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 44 Y 8.39 4.23 0.00 2.93 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 45 H 8.28 4.74 0.00 2.76 2.49 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.28 4.78 0.00 3.08 3.08 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 0.00 0.00 0.00 0.00 47 G 8.50 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 V 7.75 3.57 2.53 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 1.19 0.00 0.00 1.26 0.00 0.00 125 I 7.99 3.67 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.89 0.93 0.00 0.00 126 R 8.34 3.91 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 127 L 7.78 3.92 0.00 1.86 1.80 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.97 3.91 0.00 1.75 1.55 0.01 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.31 4.04 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 0.00 130 E 8.65 4.23 0.00 2.20 2.03 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 2.34 2.29 0.00 131 S 8.00 4.17 0.00 3.94 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 0.00 132 I 7.80 4.06 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.93 0.00 0.00 133 E 8.81 4.16 0.00 2.23 2.04 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 2.37 2.44 0.00 134 A 8.27 4.19 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 0.00 135 G 8.10 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 T 7.92 4.28 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 1.20 0.00 0.00 138 R 7.91 3.77 0.00 1.81 1.88 0.00 3.14 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 139 G 7.55 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 0.00 140 L 7.59 4.00 0.00 0.83 1.21 0.56 0.65 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 0.00 141 F 7.40 5.32 0.00 2.98 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 0.00 142 R 8.44 4.12 0.00 1.79 2.05 0.00 3.30 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 143 R 8.48 4.27 0.00 1.80 1.96 0.00 3.20 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 144 D 7.94 4.71 0.00 2.75 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 0.00 145 L 7.47 4.74 0.00 1.57 1.55 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.48 4.62 0.00 3.26 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.60 4.01 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 0.00 148 V 7.75 3.55 2.11 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 1.17 0.00 0.00 0.95 0.00 0.00 149 N 8.21 4.38 0.00 2.82 2.89 0.00 0.00 7.11 7.57 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 0.00 150 S 8.27 4.23 0.00 4.12 4.02 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 0.00 151 A 8.35 3.92 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 0.00 152 L 8.36 3.95 0.00 1.90 1.78 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.89 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.43 3.63 0.00 0.27 1.30 0.56 0.88 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 0.00 155 A 7.64 4.79 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 0.00 156 G 8.39 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 0.00 0.00 0.00 *158 V 7.80 4.42 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 1.06 0.00 0.00 1.14 0.00 0.00 159 N 8.57 4.62 0.00 3.09 3.00 0.00 0.00 6.68 7.07 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 0.00 160 Y 8.68 4.03 0.00 3.26 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 0.00 161 F 8.58 4.03 0.00 3.22 3.20 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 0.00 162 F 8.01 4.06 0.00 2.97 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 0.00 163 L 7.97 3.92 0.00 1.65 1.59 0.92 1.38 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 0.00 164 S 7.55 4.20 0.00 3.74 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 0.00 165 T 7.25 3.28 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 0.88 0.00 0.00 166 L 7.74 4.11 0.00 1.53 1.67 0.88 0.75 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 0.00 167 A 7.78 4.47 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 0.00 168 T 7.41 4.62 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 1.18 0.00 0.00 169 E 8.62 3.87 0.00 1.95 2.03 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 2.48 2.20 0.00 170 G 7.96 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 0.00 171 L 7.68 4.41 0.00 1.66 1.74 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.21 4.49 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 1.07 0.00 0.00 173 S 8.42 4.34 0.00 3.86 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 0.00 174 H 8.53 5.00 0.00 3.05 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.04 4.30 0.00 3.88 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 0.00 176 P 0.00 4.75 0.00 2.23 2.13 0.00 3.97 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 2.14 2.13 0.00 177 D 7.69 4.40 0.00 2.62 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 0.00 178 Q 8.11 4.49 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 179 D 7.99 4.24 0.00 2.79 2.70 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 0.00 180 E 8.04 3.94 0.00 1.95 1.97 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 2.38 2.29 0.00 181 E 8.02 3.91 0.00 2.02 2.01 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 2.31 2.32 0.00 182 L 7.76 3.45 0.00 1.33 1.40 -0.57 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 183 I 7.61 3.62 1.99 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 1.38 0.59 0.93 0.00 0.00 184 R 7.88 3.90 0.00 2.05 2.01 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 185 Q 8.18 4.07 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 186 Y 8.34 4.49 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 0.00 187 V 8.41 3.73 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 1.11 0.00 0.00 1.05 0.00 0.00 188 A 8.04 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 3.68 1.94 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 1.47 0.83 0.92 0.00 0.00 190 F 8.46 4.25 0.00 3.01 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 0.00 191 T 7.94 4.00 4.30 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 0.00 0.00 0.00 1.35 0.00 0.00 192 R 8.17 4.36 0.00 1.90 1.97 0.00 3.27 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 193 G 8.00 3.87 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 0.00 0.00 0.00 194 I 7.87 4.00 1.89 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 1.35 0.70 0.94 0.00 0.00 *196 A 7.89 4.10 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 * Residues marked with a * may have inaccurate shift predictions.