NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2975 8.2649 123.5833 51.9786 20.1608 177.0032 6 Q 4.1267 8.0344 118.3854 56.1918 29.8584 170.9418 7 V 4.3709 8.7735 120.6504 62.1691 35.2566 174.1108 8 R 4.6227 9.2233 129.0609 53.5703 32.0259 173.8182 9 P 4.8665 0.0000 0.0000 61.3348 32.6035 174.7316 10 P 4.4099 0.0000 0.0000 62.7768 31.9352 175.9547 11 L 4.6296 8.0328 120.8073 52.1793 43.8082 174.9298 12 P 3.4572 0.0000 0.0000 61.0708 32.2315 174.1952 13 P 4.3776 0.0000 0.0000 62.9210 31.9993 175.9406 14 F 4.8496 8.4781 121.0028 57.1862 40.5949 174.7600 15 T 4.6236 8.5808 111.0448 59.7038 71.8560 175.3838 16 R 3.0551 8.5231 120.5431 59.2335 29.9565 177.7150 17 E 3.8494 7.9990 118.6851 59.4711 29.6834 178.9064 18 S 4.1520 8.1110 113.7941 61.0165 63.0673 176.2802 19 A 3.4376 7.8778 124.8523 54.9778 18.0836 179.6282 20 I 3.5891 7.5987 118.3436 64.3204 37.0430 178.3652 21 E 3.8720 8.0135 120.2365 59.0587 29.5176 178.5751 22 K 3.7667 8.2203 120.0945 59.7333 32.0604 178.7535 23 I 4.1183 7.9098 119.9279 64.4645 36.9539 178.4349 24 R 3.8996 8.1430 119.5886 59.4210 29.9395 178.5890 25 L 3.9811 8.2431 118.7754 57.6037 41.4913 179.3909 26 A 4.0959 8.0945 120.7896 55.1082 18.2855 179.1376 27 E 4.0031 8.6190 118.2072 59.7728 29.4851 178.7417 28 D 4.5054 8.2656 117.7745 57.2699 41.1621 178.8347 29 G 3.8490 8.2437 106.0730 47.9069 0.0000 175.9259 30 W 4.3452 8.9627 122.3491 59.1555 28.9991 177.8427 31 N 4.9163 8.8739 115.6801 54.7658 37.8117 176.6889 32 S 4.2214 7.8808 115.4600 58.3294 63.5995 174.2290 33 R 2.0000 6.7697 119.9471 56.1198 27.9324 176.3926 34 D 4.5812 6.8176 117.7838 51.6825 42.0362 173.3668 35 P 4.2833 0.0000 0.0000 65.6817 31.2183 177.9291 36 E 3.8502 8.0991 115.7433 59.2638 29.6308 178.1421 37 R 4.0092 8.0327 118.5196 59.6077 30.1443 178.5757 38 V 3.6187 7.9328 118.1925 66.0106 31.5478 178.0403 39 S 4.3587 8.4045 114.1478 61.4509 62.4312 176.1880 40 L 4.2023 7.5872 120.5145 56.4905 41.4413 178.0983 41 A 4.1662 7.9576 119.4915 52.1024 18.9945 176.4828 42 Y 4.6647 7.0720 114.8880 55.5336 40.7591 175.9796 43 T 4.1696 8.3170 112.1251 61.4695 69.7938 175.3054 44 L 4.0366 8.6589 122.6633 57.3394 41.8222 177.8916 45 D 5.2621 7.6891 117.4531 52.7069 39.5198 176.9137 46 T 4.2356 7.8390 113.6055 63.9600 68.4752 172.9009 47 Q 4.9141 9.1731 126.4840 54.0693 31.4955 174.7148 48 W 5.3164 9.2595 123.7171 54.7933 33.7941 174.6627 49 R 4.4482 8.6676 122.2234 54.6502 32.8165 173.3553 50 N 5.0689 8.9867 126.3703 51.2623 41.1777 174.9002 51 R 3.7041 8.8216 127.9436 57.8955 29.5218 177.1315 52 A 4.5506 8.8198 128.4537 52.5522 19.1843 176.2217 53 E 4.7690 8.1362 119.6158 55.3663 31.7629 175.0421 54 F 5.1852 8.7311 122.4701 55.5961 42.1709 174.7188 55 A 4.7032 8.5771 125.1379 51.0011 21.7082 176.4443 56 H 5.0512 9.3681 117.7137 55.0387 30.0548 173.5582 57 N 4.7451 7.2589 116.9251 50.9086 40.7714 175.0461 58 R 3.6939 8.4404 120.5074 59.4071 29.9420 178.0279 59 E 3.8395 8.0314 118.6339 59.3559 29.7189 178.5642 60 E 3.8329 8.9368 118.7610 59.0523 29.4356 179.1858 61 A 3.0478 7.4455 120.9010 54.6503 18.2604 179.5708 62 K 3.6873 8.1279 118.3364 59.4868 32.1939 178.8604 63 A 3.9024 8.0362 121.1962 54.9316 18.1918 179.3565 64 F 3.9093 8.1208 119.1515 61.4600 39.4715 177.4234 65 L 3.0667 7.8270 118.5103 57.6285 41.0433 179.6830 66 T 3.8226 7.4829 115.0125 66.6181 68.7401 176.6678 67 R 3.8884 7.6370 120.0034 58.7817 30.0483 178.6950 68 K 3.1684 7.3851 120.2089 59.2100 31.9154 178.0195 69 W 4.4910 7.3374 114.5423 57.0912 29.0268 176.9824 70 A 4.3439 7.4920 121.3727 52.8774 19.0538 178.3912 71 K 4.1968 7.7754 115.3828 57.9026 33.2232 176.4054 72 E 4.4319 8.1227 121.2057 55.0233 28.3650 175.7132 73 L 4.3287 8.6469 123.9682 55.1556 42.7956 177.0939 74 D 4.3367 8.7298 119.5981 55.5157 38.4263 173.7160 75 Y 4.7996 8.2731 119.2430 58.0152 39.9553 175.2380 76 R 4.8617 8.9490 125.0931 54.3481 33.9890 174.0378 77 L 5.4873 9.6478 125.6586 53.4099 45.5602 175.6945 78 I 4.7783 8.8114 124.2385 59.7527 40.9660 174.5405 79 K 5.2284 9.3185 126.6581 54.9978 34.9275 175.3570 80 E 4.7493 9.0164 122.1592 54.6081 33.4849 174.1712 81 L 4.2675 8.6287 128.0736 55.5028 42.5512 174.8980 82 W 4.8228 9.0264 133.6493 58.4002 32.4211 175.1268 83 A 4.8333 7.8848 118.9408 51.1106 22.3089 174.0579 84 F 5.4061 8.1094 112.7243 56.3848 41.2325 174.5921 85 T 4.4219 9.4462 117.4158 63.7874 73.6563 174.4240 86 D 4.4478 8.7315 128.1519 55.9054 40.2919 174.6201 87 N 4.8069 9.1348 126.2647 53.6061 37.6333 173.7254 88 R 5.5813 8.6248 118.5383 55.0729 33.4749 175.0097 89 I 5.0842 9.1415 122.1684 59.5220 41.8046 174.0583 90 A 4.9138 9.2232 128.0035 50.1518 21.2796 175.4898 91 V 4.7126 8.5510 122.9338 61.1367 34.7582 174.5661 92 R 5.1998 8.8157 126.0081 55.0635 33.2092 174.5431 93 Y 5.4093 8.6772 118.7979 56.8373 42.1669 172.8262 94 A 5.2510 9.1288 120.4206 50.9106 23.2723 174.9661 95 Y 5.6695 8.9393 118.6188 55.5946 41.8629 173.9842 96 E 5.4394 9.1913 121.7867 54.9891 32.7707 174.9191 97 W 5.1566 8.6594 118.8032 56.7116 32.4079 172.3585 98 H 4.8795 8.5383 114.5866 53.8881 31.6690 172.9680 99 D 5.4183 8.5966 120.3973 51.8439 42.2242 176.1202 100 D 4.9526 8.5829 115.9357 53.9545 39.2669 176.8841 101 S 4.5458 8.5546 112.9005 58.7070 63.8857 174.9796 102 G 3.8274 8.0828 109.0120 45.0109 0.0000 173.1323 103 N 4.4607 8.5022 118.7914 52.2477 39.7026 174.6120 104 W 4.7359 8.3877 123.6343 55.8128 31.5003 175.3758 105 F 5.0170 9.0580 120.4525 55.8171 43.4682 173.4500 106 R 4.8086 8.6462 120.8243 54.7717 32.2156 174.6508 107 S 4.8871 9.0097 123.0463 57.0964 65.2435 172.6246 108 Y 4.7697 9.1352 122.7659 56.2342 39.9959 175.1849 109 G 3.6965 8.6712 110.6071 44.1247 0.0000 171.1236 110 N 5.5068 8.8318 117.4641 51.1759 42.3802 173.4451 111 E 5.2674 9.4263 122.2414 54.4981 33.1948 174.4314 112 N 5.3458 9.3544 120.5907 51.3311 41.4413 173.5994 113 W 5.4029 9.3407 123.7281 54.8726 32.7545 174.4551 114 E 5.1441 8.6184 123.2600 54.7047 32.0961 174.2827 115 F 5.3752 9.2709 125.9588 55.8620 41.7925 175.7114 116 D 4.8237 9.0203 122.2368 52.0912 40.9767 177.1193 117 E 3.9837 8.7085 117.7939 59.4107 29.5363 178.1679 118 Q 4.2818 8.3632 116.1998 55.5980 28.8561 177.0250 119 G 4.4049 8.1382 105.5679 46.7061 0.0000 174.1239 120 L 4.8014 7.8290 125.8063 54.4581 40.1336 179.5684 *122 A 4.5360 8.5485 129.1054 52.5362 21.2631 176.1221 123 R 4.9362 7.8952 113.1821 54.4879 34.9074 174.7668 124 R 4.6435 8.5261 122.9942 54.5172 33.3226 173.7309 125 F 5.2592 9.0959 125.4166 55.8187 41.6023 174.1033 126 A 5.2763 9.0918 126.4905 50.1305 22.0505 174.3856 127 C 5.1037 9.0098 119.5106 57.9670 31.5298 173.3837 128 I 5.1487 8.3361 122.8273 59.7502 40.9583 174.2422 129 N 5.1420 9.3427 122.8811 51.8312 42.6017 173.5911 130 D 5.2408 8.4387 121.0297 52.1016 44.3929 173.2735 *132 P 4.1973 0.0000 0.0000 62.9160 32.2871 176.3868 133 I 4.8891 8.1565 116.0504 59.1201 41.1669 174.8886 134 K 4.3186 9.2329 122.4825 55.3752 33.3620 178.0793 135 A 3.1763 8.6516 125.7812 55.1606 18.3099 179.8975 136 Q 4.0188 7.7584 111.8370 58.2641 28.8246 176.7076 137 E 4.2138 7.9902 117.5485 56.6468 30.0321 176.9613 138 R 3.9035 7.2408 118.7906 56.5178 30.3932 176.5936 139 K 4.4074 8.6019 120.1289 56.1466 33.9818 176.2505 140 F 5.1457 7.8821 118.1362 56.4256 39.6336 175.1293 141 H 4.8452 8.8518 120.5382 54.6006 30.5809 173.7871 142 W 4.5165 7.9808 116.7105 55.2401 28.7161 174.1881 143 P 4.3185 0.0000 0.0000 62.5545 31.2190 176.3938 144 L 3.8556 8.6061 121.9467 55.1368 42.3386 177.0201 145 G 3.9337 9.0967 110.7061 44.4117 0.0000 172.5044 146 R 3.8845 8.4172 122.2880 56.3519 30.5820 177.2930 147 R 2.5100 8.0020 125.2659 54.6744 30.6721 174.4155 148 P 4.2816 0.0000 0.0000 62.6458 31.9521 177.1866 149 D 4.2516 8.5356 121.1288 57.4321 40.8581 177.3589 150 D 4.5285 7.8780 116.2148 55.1581 41.3089 175.6800 151 H 4.4129 7.9530 120.8946 54.2721 30.5022 173.1752 152 P 4.6546 0.0000 0.0000 62.5037 31.9167 176.4228 153 G 4.0442 8.1911 109.1619 44.1982 0.0000 173.4323 154 L 4.0319 8.7023 119.2912 58.6983 41.5848 179.7705 155 S 4.2069 8.2667 113.5715 61.7393 62.9572 176.3211 156 E 4.1680 8.1830 120.4620 58.8339 29.0969 178.8175 157 L 4.2296 7.9403 118.4470 54.8300 42.0994 177.9103 158 G 3.8896 7.7622 106.4552 43.9050 0.0000 172.5608 159 L 3.7939 8.3520 119.9806 55.5576 42.0483 176.1705 160 E 4.5469 8.7503 126.0465 55.2537 29.5562 174.5881 161 H 4.9105 8.3312 117.8914 53.8151 31.7616 173.3940 162 H 4.4568 8.7000 115.8270 56.5764 28.4994 175.5258 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 A 8.26 4.30 1.30 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 6 Q 8.03 4.13 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 7 V 8.77 4.37 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 0.75 0.00 0.00 0.93 0.00 0.00 8 R 9.22 4.62 0.00 1.72 1.80 0.00 3.41 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 9 P 0.00 4.87 0.00 2.06 2.03 0.00 3.76 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 1.97 1.98 0.00 10 P 0.00 4.41 0.00 2.19 2.10 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 11 L 8.03 4.63 0.00 1.52 1.47 0.89 1.09 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 P 0.00 3.46 0.00 1.90 1.33 0.00 3.62 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 13 P 0.00 4.38 0.00 2.11 2.07 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 14 F 8.48 4.85 0.00 3.01 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 15 T 8.58 4.62 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 1.24 0.00 0.00 16 R 8.52 3.06 0.00 2.04 1.95 0.00 3.25 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 17 E 8.00 3.85 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 18 S 8.11 4.15 0.00 4.18 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 19 A 7.88 3.44 0.92 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 20 I 7.60 3.59 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.87 0.00 0.00 21 E 8.01 3.87 0.00 2.01 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 2.27 2.29 0.00 22 K 8.22 3.77 0.00 1.70 1.68 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.59 1.32 7.81 23 I 7.91 4.12 2.03 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 1.28 0.74 0.93 0.00 0.00 24 R 8.14 3.90 0.00 2.03 1.91 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 25 L 8.24 3.98 0.00 1.87 1.70 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.09 4.10 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 27 E 8.62 4.00 0.00 2.18 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 2.37 2.43 0.00 28 D 8.27 4.51 0.00 2.89 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 29 G 8.24 3.85 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 0.00 0.00 0.00 0.00 30 W 8.96 4.35 0.00 3.59 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 31 N 8.87 4.92 0.00 3.11 3.13 0.00 0.00 6.66 8.23 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 32 S 7.88 4.22 0.00 3.94 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 33 R 6.77 2.00 0.00 1.38 0.99 0.00 2.93 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 34 D 6.82 4.58 0.00 2.53 2.40 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 35 P 0.00 4.28 0.00 2.18 2.23 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 36 E 8.10 3.85 0.00 1.91 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 0.00 2.27 2.41 0.00 37 R 8.03 4.01 0.00 2.00 2.01 0.00 3.12 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 38 V 7.93 3.62 1.96 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 0.48 0.00 0.00 0.80 0.00 0.00 39 S 8.40 4.36 0.00 4.04 4.19 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 40 L 7.59 4.20 0.00 1.78 1.93 0.92 0.75 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 41 A 7.96 4.17 1.02 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 0.00 0.00 42 Y 7.07 4.66 0.00 3.24 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 43 T 8.32 4.17 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 1.29 0.00 0.00 44 L 8.66 4.04 0.00 1.74 1.77 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.69 5.26 0.00 2.67 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 46 T 7.84 4.24 4.69 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 1.05 0.00 0.00 47 Q 9.17 4.91 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 48 W 9.26 5.32 0.00 2.88 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 49 R 8.67 4.45 0.00 1.65 1.74 0.00 2.93 0.00 0.00 2.99 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 50 N 8.99 5.07 0.00 2.42 2.16 0.00 0.00 6.78 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 51 R 8.82 3.70 0.00 2.00 1.12 0.00 3.28 0.00 0.00 3.28 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 52 A 8.82 4.55 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.14 4.77 0.00 1.99 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 2.20 2.30 0.00 54 F 8.73 5.19 0.00 2.97 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 55 A 8.58 4.70 0.77 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 56 H 9.37 5.05 0.00 3.02 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.26 4.75 0.00 3.05 2.85 0.00 0.00 5.82 7.66 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 58 R 8.44 3.69 0.00 2.08 1.92 0.00 3.09 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 59 E 8.03 3.84 0.00 2.01 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 2.30 2.34 0.00 60 E 8.94 3.83 0.00 1.91 1.84 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 2.26 2.51 0.00 61 A 7.45 3.05 0.01 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 0.00 0.00 62 K 8.13 3.69 0.00 1.75 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.38 7.81 63 A 8.04 3.90 1.30 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 64 F 8.12 3.91 0.00 3.02 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 65 L 7.83 3.07 0.00 1.67 1.33 0.73 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.48 3.82 4.29 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 0.00 0.00 0.00 1.15 0.00 0.00 67 R 7.64 3.89 0.00 1.72 1.76 0.00 3.07 0.00 0.00 3.04 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0.00 0.00 0.00 0.00 0.00 76 R 8.95 4.86 0.00 1.73 1.02 0.00 2.78 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.37 0.00 77 L 9.65 5.49 0.00 1.42 1.86 1.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.81 4.78 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.07 0.91 0.00 0.00 79 K 9.32 5.23 0.00 1.63 1.71 0.00 2.05 0.00 0.00 1.78 0.00 0.00 2.60 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.34 7.81 80 E 9.02 4.75 0.00 2.05 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 2.28 2.30 0.00 81 L 8.63 4.27 0.00 1.65 1.55 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 W 9.03 4.82 0.00 3.38 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 83 A 7.88 4.83 1.17 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 0.00 0.00 84 F 8.11 5.41 0.00 3.24 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 85 T 9.45 4.42 4.29 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 0.00 0.00 0.00 1.21 0.00 0.00 86 D 8.73 4.45 0.00 2.94 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 0.00 0.00 0.00 87 N 9.13 4.81 0.00 3.19 3.08 0.00 0.00 5.77 7.66 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 88 R 8.62 5.58 0.00 2.08 2.02 0.00 3.17 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 89 I 9.14 5.08 2.15 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.78 0.00 0.00 90 A 9.22 4.91 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 91 V 8.55 4.71 1.48 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 0.92 0.00 0.00 -0.51 0.00 0.00 92 R 8.82 5.20 0.00 1.84 1.80 0.00 2.38 0.00 0.00 3.35 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0.00 0.00 0.00 0.00 0.00 101 S 8.55 4.55 0.00 4.14 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 0.00 102 G 8.08 3.83 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 0.00 0.00 0.00 103 N 8.50 4.46 0.00 2.79 2.16 0.00 0.00 6.95 8.44 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 0.00 104 W 8.39 4.74 0.00 3.26 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 0.00 105 F 9.06 5.02 0.00 1.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.65 4.81 0.00 1.58 1.64 0.00 2.94 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.20 0.00 107 S 9.01 4.89 0.00 2.72 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 0.00 108 Y 9.14 4.77 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 0.00 109 G 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0.00 0.00 0.00 0.00 0.00 136 Q 7.76 4.02 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 137 E 7.99 4.21 0.00 1.95 1.96 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 2.27 2.20 0.00 138 R 7.24 3.90 0.00 1.53 1.48 0.00 2.21 0.00 0.00 2.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.93 0.00 139 K 8.60 4.41 0.00 1.47 1.94 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 140 F 7.88 5.15 0.00 2.64 1.96 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 0.00 141 H 8.85 4.85 0.00 3.19 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 W 7.98 4.52 0.00 3.39 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 0.00 143 P 0.00 4.32 0.00 2.19 2.13 0.00 3.96 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 144 L 8.61 3.86 0.00 1.67 1.71 1.03 0.99 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 0.00 145 G 9.10 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 0.00 0.00 0.00 146 R 8.42 3.88 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 147 R 8.00 2.51 0.00 0.67 1.35 0.00 2.86 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 148 P 0.00 4.28 0.00 2.16 2.00 0.00 3.17 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 149 D 8.54 4.25 0.00 2.60 2.69 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 0.00 150 D 7.88 4.53 0.00 2.64 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 0.00 151 H 7.95 4.41 0.00 2.96 3.05 0.00 5.96 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.65 0.00 2.24 2.11 0.00 2.97 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 153 G 8.19 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 0.00 0.00 0.00 154 L 8.70 4.03 0.00 1.85 1.94 1.13 0.96 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 0.00 155 S 8.27 4.21 0.00 3.94 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 0.00 156 E 8.18 4.17 0.00 2.11 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 2.41 2.41 0.00 157 L 7.94 4.23 0.00 1.91 1.85 1.36 1.09 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 0.00 158 G 7.76 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 0.00 0.00 0.00 159 L 8.35 3.79 0.00 1.55 1.50 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.75 4.55 0.00 2.22 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 2.30 2.58 0.00 161 H 8.33 4.91 0.00 3.12 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 H 8.70 4.46 0.00 3.14 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.