NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3308 8.2644 123.5882 52.1117 20.0225 178.8402 3 K 4.1272 8.8346 123.6547 59.7363 33.5315 175.4216 4 K 4.9319 9.2126 120.4222 58.2489 33.3862 177.0441 5 V 4.9581 7.8947 117.0191 60.9783 34.9741 174.8745 6 K 5.4949 8.9780 126.9529 54.4538 35.6901 174.7045 7 V 4.8594 8.9196 127.5958 61.7755 32.5945 174.6651 8 I 4.6424 9.3765 129.5563 59.8656 39.0587 176.2176 9 T 4.4289 8.6449 115.3685 60.9963 70.0144 174.1120 10 D 4.4865 7.8721 122.6538 53.2564 41.5673 173.9458 11 P 4.1993 0.0000 0.0000 66.0512 31.1022 178.3889 12 E 3.9587 8.0979 116.1316 59.4049 29.7645 179.5002 13 V 3.7227 7.6119 111.9977 64.2218 31.5185 178.2832 14 I 3.6300 7.5014 118.5572 64.5486 37.0709 178.0992 15 K 4.0832 7.8376 117.6254 59.3339 31.7317 180.2368 16 V 3.7214 7.3610 116.4398 63.2759 31.2152 177.6060 *18 L 3.9590 7.9273 118.5840 53.7923 43.7868 177.3177 19 E 3.8935 7.4222 118.7652 56.7823 30.3312 176.9646 20 D 4.3703 8.9934 125.9818 58.2206 40.8668 179.4804 21 T 3.8367 8.0434 115.2636 66.5794 68.4159 176.7298 22 R 3.8163 8.3097 120.1307 59.2454 30.0018 179.1105 23 R 3.9124 7.9298 117.6329 59.4389 30.0676 179.1105 24 K 3.9167 7.9013 117.7774 59.5451 31.9832 179.3949 25 I 3.6776 7.9802 120.0833 64.4425 36.8654 178.3481 26 L 4.0323 7.8253 118.3230 57.7350 41.6412 179.1994 27 K 4.0512 8.4040 119.7846 59.5588 32.1226 178.7754 28 L 4.0112 8.2190 119.4511 57.8026 41.5060 179.2486 29 L 4.4910 8.2754 119.4989 56.2528 41.2388 179.4962 30 R 3.8922 7.5983 118.2194 59.0240 30.0285 178.1749 31 N 4.5300 8.2045 116.2113 53.9367 38.5066 175.1348 32 K 4.2268 6.6656 118.7038 56.3200 35.3478 173.6253 33 E 4.9770 8.7024 117.6035 55.7973 30.5468 176.2336 *35 T 4.5198 7.8542 110.7518 61.5421 71.0913 174.7265 36 I 3.7366 8.1131 121.0038 64.4523 36.9659 178.9717 37 S 4.0523 7.7856 115.2059 61.6659 62.8142 176.4440 38 Q 3.9976 7.8177 120.2572 59.0988 28.5272 179.0158 39 L 3.9507 7.8224 119.7233 57.9412 41.6129 179.2883 40 S 4.2292 7.8785 114.1398 60.8683 62.0368 175.9061 41 E 3.9437 8.0382 120.1366 59.4290 29.4090 178.6049 42 I 3.9326 7.5183 118.6684 64.1069 37.1719 177.6716 43 L 4.3590 8.5901 118.2293 54.2061 41.4042 177.8467 44 G 4.4920 7.6304 106.3721 46.1478 0.0000 173.5840 45 K 4.6575 7.1844 117.8515 54.1125 34.6927 176.3873 46 T 4.1653 8.1685 118.1956 62.9954 70.3800 173.9605 47 P 4.2944 0.0000 0.0000 65.8014 31.5471 179.1068 48 Q 3.9764 8.0245 116.0239 59.5112 28.5203 178.4139 49 T 3.8916 7.8712 114.5540 65.0109 67.5307 176.0713 50 I 3.7666 7.8638 121.8055 64.3900 37.0600 177.5354 51 Y 3.9938 8.1701 120.4913 61.2832 38.5112 178.2687 52 H 4.0138 8.0919 116.3384 58.8930 28.7261 177.5662 53 H 4.1693 7.9690 118.0158 59.0299 28.6259 177.8352 54 I 3.4700 8.0903 121.7771 64.2741 36.7431 178.2496 55 E 3.7271 7.8235 119.2696 59.2728 29.2607 179.5944 56 K 3.8942 7.9929 118.2913 59.5892 32.0976 179.4554 57 L 3.9692 8.1961 119.5762 57.4440 41.4429 179.6090 58 K 4.2966 8.4596 121.3153 59.1362 32.0421 178.6427 59 E 3.9702 8.3775 118.0648 58.4721 29.5711 177.5061 60 A 4.4287 7.6995 118.7209 51.2963 19.1216 177.7957 61 G 3.8956 7.8639 105.5062 46.0093 0.0000 174.9624 62 L 4.2439 8.0551 121.4888 56.5125 42.8510 177.0635 63 V 5.2351 7.7218 110.4632 59.8468 36.6292 174.1150 64 E 4.8057 8.8833 118.3793 55.1023 33.5212 174.3171 65 V 3.6712 8.1847 120.9954 62.6131 31.3396 175.8676 66 K 4.3644 9.3137 129.0506 57.9376 32.9367 177.4096 67 R 4.3587 7.1184 114.9517 56.0567 30.9982 172.9739 68 T 5.3267 8.3336 108.4206 60.3395 72.6709 173.9729 69 E 4.3583 8.7465 127.0366 55.8460 32.3083 177.5607 *71 K 4.1006 8.6032 108.5726 55.9124 33.7304 177.3465 72 G 3.9117 8.4933 116.9030 46.3440 0.0000 171.7221 73 N 4.7677 9.2529 118.6378 51.9957 38.0378 174.3777 74 L 4.5635 7.5016 120.6671 53.3461 44.6060 175.7274 75 V 4.1362 8.4753 126.1564 62.2945 31.8844 174.5639 76 E 4.8472 9.0731 127.2394 54.5842 32.8904 175.1299 77 K 4.9451 8.4533 120.5052 55.1112 35.1457 174.7921 78 Y 4.6740 9.2503 122.2464 56.8341 39.8237 174.2812 79 Y 5.1317 8.8301 122.1732 56.5679 40.7870 175.0131 80 G 4.5643 8.8943 109.1520 44.1957 0.0000 172.2877 81 R 4.7381 8.6640 120.2705 56.6379 30.3814 177.3051 82 T 4.3442 8.9003 118.0170 65.9417 69.0198 174.6945 83 A 4.7091 7.5424 120.8328 50.5483 21.8500 176.1183 84 D 4.3657 9.3650 121.1471 56.8775 42.1937 177.0369 85 V 4.4093 7.8064 117.0442 60.9297 35.2069 174.2700 86 F 5.7378 8.4510 124.9052 56.0167 41.7207 174.3226 87 Y 4.9049 9.1096 119.9292 56.1575 41.0207 174.8105 88 I 5.2493 8.7234 115.9808 58.0715 41.3873 174.4136 89 N 5.0779 8.5864 120.3834 51.9884 40.6514 174.0451 90 L 3.9347 7.9830 125.8465 56.0123 42.5963 177.0749 91 Y 4.4869 7.6718 116.3335 57.0370 37.5257 175.6777 92 L 4.5477 7.5539 115.4152 54.5575 42.6802 179.3052 93 G 3.8008 8.2609 106.6151 45.9326 0.0000 174.2805 94 D 4.4157 7.4008 119.9544 53.3474 41.8459 175.6404 95 E 3.7418 8.8391 127.9873 59.7045 29.6394 178.3728 96 E 4.0715 8.1947 118.4590 59.3090 29.6885 178.5855 97 L 3.9073 9.1316 120.1052 57.7080 41.6052 179.5919 98 R 3.4259 7.6137 117.9304 59.3608 29.9151 178.6820 99 Y 4.2652 7.4811 116.1380 60.5226 37.7787 178.3271 100 I 3.7544 7.5048 120.7719 64.0725 37.2313 178.0224 101 A 3.9358 7.9043 121.6518 55.4248 18.1985 180.0223 102 R 3.9711 8.1483 116.3999 59.2684 29.9245 179.5451 103 S 4.1696 8.1962 115.3780 61.5746 62.4877 176.9028 104 R 3.9445 8.2189 120.8955 59.2957 29.4399 179.1662 105 L 4.1601 8.1802 118.6712 57.4861 41.5387 179.6678 106 K 4.0873 8.1296 118.7838 59.4172 31.9229 179.4211 107 T 3.9781 7.6945 116.2341 66.6690 68.3829 176.7851 108 K 3.7192 7.6159 118.8400 59.0099 31.9419 179.5630 109 I 3.7248 7.1351 119.9299 64.2150 37.0105 178.0683 110 D 4.3933 8.0569 119.9438 57.3535 40.6139 178.8351 111 I 3.7315 7.2986 119.9621 64.2389 37.0576 178.4298 112 F 4.6021 7.7119 118.5037 60.8527 38.7998 177.8273 113 K 4.3913 8.4838 119.3727 59.0847 31.6346 179.4112 114 R 3.9384 8.4461 118.3139 59.0087 30.0593 177.6123 115 L 4.5159 7.9785 116.3123 54.7561 42.0147 177.4865 116 G 3.9800 8.3082 108.0904 45.1917 0.0000 173.3140 117 Y 4.2787 8.5508 118.7916 57.4478 38.6255 174.4908 118 Q 4.4154 8.2585 123.5585 53.9770 31.0793 174.7026 119 F 4.4874 7.2749 115.3945 55.3830 40.0495 173.6654 120 E 4.3633 8.4369 121.6383 54.9220 29.4462 175.5626 121 E 4.3648 8.9541 126.7992 59.9357 29.2014 178.8690 122 N 4.3776 8.5614 116.5914 56.1084 38.7096 176.8165 123 E 3.9497 9.4141 121.4269 59.0768 29.5600 178.3631 124 L 3.8531 7.5404 118.6199 58.2282 42.2173 178.1570 125 L 4.1371 7.8264 118.6047 58.4672 42.2507 178.4623 126 N 4.5888 7.9699 116.2479 56.2930 38.2488 178.1812 127 I 3.7930 7.4578 117.5400 61.8795 37.2500 176.6082 *129 D 4.7985 8.0807 121.7128 54.6645 42.8121 177.8213 130 R 4.2857 7.9324 115.1796 56.9165 29.5208 178.2542 *132 S 4.3892 8.1305 115.3461 58.4421 64.4178 175.6470 133 Q 2.5547 7.8768 120.8085 58.5626 28.6346 178.3024 134 K 3.9078 8.0959 119.6152 59.4773 32.0977 179.2114 135 E 3.7849 7.9996 118.2420 59.3938 29.4434 179.2599 136 F 3.9976 8.4333 118.0580 60.6934 39.0340 177.5232 137 D 4.3943 8.3356 118.3146 57.2174 40.5745 178.7664 138 A 3.9333 8.0603 121.3727 55.4343 18.3430 179.8849 139 T 3.7206 7.9507 114.3420 66.5488 68.4534 177.2510 140 V 3.5981 7.9415 121.6899 65.2454 31.4868 177.8982 141 R 3.8497 7.8631 118.6724 59.6023 29.9248 178.4473 142 I 3.8620 7.7524 112.7319 63.5386 37.3704 178.1287 143 S 3.9873 8.0881 116.0177 60.7766 62.6037 176.7379 144 K 4.0079 7.9742 122.6425 59.5679 31.6111 178.6415 145 Y 4.1446 7.4400 118.2414 60.5446 38.9464 177.8703 146 I 3.7039 7.7097 121.0623 64.2130 37.1596 177.7426 147 E 3.9494 8.2996 120.6085 59.0651 29.1839 178.0877 148 E 4.2550 7.7733 114.7764 56.9376 30.4106 177.0191 149 K 4.4227 7.3886 119.3438 56.2309 32.7981 177.7374 150 E 3.9590 8.2551 122.0554 59.9501 28.9940 178.7811 151 D 4.3482 8.1060 117.0568 57.1723 40.9868 177.8684 152 A 4.3500 7.8235 118.6756 52.9447 18.8749 177.6396 153 L 4.9851 7.8927 116.9415 53.8569 42.7256 178.2584 154 K 3.8206 8.3399 119.6336 59.7974 32.1674 176.9882 155 D 4.6148 8.0399 116.9352 52.8608 39.4881 175.6707 156 F 4.9215 8.0899 117.9840 55.3384 42.4062 175.8475 157 S 4.4528 8.4931 118.1547 58.3455 65.0633 175.3044 158 N 4.4533 8.7012 120.4571 56.1302 38.2620 177.4647 159 E 3.9571 8.1499 120.6966 59.4467 29.8740 178.3755 160 D 4.4705 8.2086 118.9757 57.4325 40.8912 178.8800 161 I 3.7077 7.8604 120.3111 64.3231 37.0310 178.4625 162 I 3.8266 8.0760 120.8457 65.0080 36.9900 178.3616 163 H 5.0731 8.7777 117.9029 58.1818 28.3659 177.8576 164 A 4.2126 8.2625 123.0698 55.2488 18.2391 179.6686 165 I 3.6375 7.9406 118.3637 64.4063 37.1149 178.4715 166 E 3.8440 8.0215 119.1162 59.1957 29.2498 179.4433 167 W 4.1111 7.9305 118.3495 59.8938 29.1611 178.6277 168 L 4.0504 8.3250 119.1004 57.8680 41.0350 179.6238 169 S 4.0401 8.6045 113.5310 61.5559 62.3262 176.3747 170 T 3.7344 8.3829 118.6767 66.4990 67.9526 176.5605 171 A 4.0758 8.2171 122.0784 55.0335 18.5182 179.3898 172 E 3.9719 7.8564 116.7482 59.7218 29.6109 179.3665 173 L 3.6248 7.7617 118.6072 57.7988 41.3302 179.5395 174 A 4.1418 7.8858 119.3939 54.3354 18.3687 178.7826 175 R 4.5270 7.9143 114.9497 55.7247 30.9485 176.4965 176 D 4.6861 7.8789 119.9637 52.7213 41.6735 176.0876 177 E 3.9982 8.6670 128.1342 59.2952 29.4261 178.8910 178 E 3.9181 8.6070 119.5900 59.3043 29.6888 178.2050 179 Y 3.9549 8.2845 119.0317 60.7061 38.9732 177.7083 180 L 3.8660 8.1228 119.9096 57.9105 41.7338 179.2504 181 E 3.8904 8.2903 119.0659 59.2163 29.5954 178.8382 182 L 3.8791 7.9596 119.3380 57.6318 41.5014 179.2273 183 L 3.6911 7.9965 120.5786 57.9986 41.8075 179.2488 184 K 3.9815 8.0186 118.4721 59.2016 31.9640 179.6263 185 R 3.8745 7.9056 118.5948 59.0263 29.8902 178.6372 186 L 3.9262 7.8080 120.2406 58.2409 41.8263 179.3806 187 G 3.5380 7.5207 104.0862 47.5123 0.0000 175.3132 188 S 4.3979 7.3763 116.5930 61.1394 63.2414 176.3649 189 I 4.1202 8.0661 122.0877 62.7668 37.4309 176.2175 190 L 4.3770 7.6745 121.0427 53.1119 40.6224 176.7289 191 K 4.3488 8.3357 121.6826 56.6617 33.1165 176.4484 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 4.33 1.12 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 3 K 8.83 4.13 0.00 1.90 1.80 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 4 K 9.21 4.93 0.00 2.05 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.24 7.81 5 V 7.89 4.96 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 0.97 0.00 0.00 1.04 0.00 0.00 6 K 8.98 5.49 0.00 2.01 1.96 0.00 1.95 0.00 0.00 2.10 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.35 7.81 7 V 8.92 4.86 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 0.95 0.00 0.00 1.05 0.00 0.00 8 I 9.38 4.64 1.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.09 0.88 0.00 0.00 9 T 8.64 4.43 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 1.25 0.00 0.00 10 D 7.87 4.49 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.20 0.00 2.16 2.07 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 12 E 8.10 3.96 0.00 2.04 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 2.32 2.47 0.00 13 V 7.61 3.72 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 0.93 0.00 0.00 0.85 0.00 0.00 14 I 7.50 3.63 1.97 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 1.49 0.57 0.86 0.00 0.00 15 K 7.84 4.08 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.58 7.81 16 V 7.36 3.72 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 0.99 0.00 0.00 1.00 0.00 0.00 *18 L 7.93 3.96 0.00 1.83 1.74 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.42 3.89 0.00 1.91 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 2.31 2.47 0.00 20 D 8.99 4.37 0.00 2.71 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 21 T 8.04 3.84 4.01 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 1.15 0.00 0.00 22 R 8.31 3.82 0.00 1.92 1.94 0.00 3.20 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 23 R 7.93 3.91 0.00 2.11 1.98 0.00 3.33 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 24 K 7.90 3.92 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 25 I 7.98 3.68 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 0.89 0.00 0.00 26 L 7.83 4.03 0.00 1.84 1.85 1.04 1.02 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 27 K 8.40 4.05 0.00 1.92 1.94 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 28 L 8.22 4.01 0.00 2.03 1.72 0.93 0.78 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 29 L 8.28 4.49 0.00 1.85 1.75 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.60 3.89 0.00 1.80 1.96 0.00 3.11 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.95 0.00 31 N 8.20 4.53 0.00 2.86 2.90 0.00 0.00 6.91 7.74 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 32 K 6.67 4.23 0.00 2.10 1.95 0.00 1.35 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.19 7.81 33 E 8.70 4.98 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 *35 T 7.85 4.52 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 36 I 8.11 3.74 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 0.98 0.00 0.00 37 S 7.79 4.05 0.00 3.96 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 38 Q 7.82 4.00 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 39 L 7.82 3.95 0.00 1.83 1.73 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.88 4.23 0.00 4.00 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 41 E 8.04 3.94 0.00 1.99 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 0.00 2.33 2.41 0.00 42 I 7.52 3.93 2.00 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 1.53 0.75 0.92 0.00 0.00 43 L 8.59 4.36 0.00 1.87 1.69 0.92 1.09 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 44 G 7.63 4.49 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 0.00 45 K 7.18 4.66 0.00 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6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.09 3.47 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 -0.28 0.00 0.00 55 E 7.82 3.73 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 56 K 7.99 3.89 0.00 2.08 1.82 0.00 1.51 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 57 L 8.20 3.97 0.00 1.71 1.69 0.88 0.78 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 58 K 8.46 4.30 0.00 1.90 1.99 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.45 7.81 59 E 8.38 3.97 0.00 2.02 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 0.00 2.30 2.31 0.00 60 A 7.70 4.43 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 61 G 7.86 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 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0.00 121 E 8.95 4.36 0.00 2.37 2.39 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 2.45 2.43 0.00 122 N 8.56 4.38 0.00 3.26 2.95 0.00 0.00 6.80 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 0.00 123 E 9.41 3.95 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 124 L 7.54 3.85 0.00 1.69 1.70 0.27 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.83 4.14 0.00 1.82 1.91 0.98 1.01 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 0.00 126 N 7.97 4.59 0.00 2.90 2.87 0.00 0.00 7.06 7.34 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 0.00 127 I 7.46 3.79 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.83 0.00 0.00 *129 D 8.08 4.80 0.00 2.97 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 0.00 130 R 7.93 4.29 0.00 1.93 1.92 0.00 3.21 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 *132 S 8.13 4.39 0.00 4.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 7.88 2.55 0.00 1.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 134 K 8.10 3.91 0.00 1.83 1.76 0.00 1.90 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.76 7.81 135 E 8.00 3.78 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 2.20 2.42 0.00 136 F 8.43 4.00 0.00 3.15 3.35 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 0.00 137 D 8.34 4.39 0.00 2.87 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 0.00 138 A 8.06 3.93 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 0.00 139 T 7.95 3.72 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 1.11 0.00 0.00 140 V 7.94 3.60 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 1.24 0.00 0.00 1.11 0.00 0.00 141 R 7.86 3.85 0.00 2.15 2.04 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 142 I 7.75 3.86 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.21 0.95 0.00 0.00 143 S 8.09 3.99 0.00 3.40 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 0.00 144 K 7.97 4.01 0.00 2.05 1.93 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.65 7.81 145 Y 7.44 4.14 0.00 3.04 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 0.00 146 I 7.71 3.70 2.01 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 1.75 0.92 0.89 0.00 0.00 147 E 8.30 3.95 0.00 2.21 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 2.33 2.58 0.00 148 E 7.77 4.26 0.00 2.09 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 2.29 2.09 0.00 149 K 7.39 4.42 0.00 1.60 1.59 0.00 1.33 0.00 0.00 0.95 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.00 1.24 7.81 150 E 8.26 3.96 0.00 1.99 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 2.66 0.00 151 D 8.11 4.35 0.00 2.63 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 0.00 152 A 7.82 4.35 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 0.00 153 L 7.89 4.99 0.00 1.90 1.77 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.34 3.82 0.00 1.86 1.99 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.46 7.81 155 D 8.04 4.61 0.00 2.38 2.62 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 0.00 0.00 0.00 0.00 156 F 8.09 4.92 0.00 3.10 2.99 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 0.00 157 S 8.49 4.45 0.00 4.09 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 0.00 158 N 8.70 4.45 0.00 2.76 2.91 0.00 0.00 6.56 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 0.00 159 E 8.15 3.96 0.00 2.08 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 2.48 2.57 0.00 160 D 8.21 4.47 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.86 3.71 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.95 0.00 0.00 162 I 8.08 3.83 2.08 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.85 0.00 0.00 163 H 8.78 5.07 0.00 3.35 3.54 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 0.00 164 A 8.26 4.21 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 0.00 165 I 7.94 3.64 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.69 0.00 0.00 166 E 8.02 3.84 0.00 2.00 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 2.24 2.54 0.00 167 W 7.93 4.11 0.00 3.54 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 0.00 168 L 8.32 4.05 0.00 1.83 1.72 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 169 S 8.60 4.04 0.00 3.79 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 8.38 3.73 4.34 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 1.15 0.00 0.00 171 A 8.22 4.08 1.38 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 0.00 0.00 172 E 7.86 3.97 0.00 2.08 1.89 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 2.26 2.42 0.00 173 L 7.76 3.62 0.00 1.38 0.37 0.43 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 174 A 7.89 4.14 1.41 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 0.00 0.00 0.00 175 R 7.91 4.53 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 176 D 7.88 4.69 0.00 2.69 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 0.00 177 E 8.67 4.00 0.00 2.06 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 2.41 2.39 0.00 178 E 8.61 3.92 0.00 2.05 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 0.00 2.32 2.32 0.00 179 Y 8.28 3.95 0.00 3.11 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 0.00 180 L 8.12 3.87 0.00 1.91 1.70 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.29 3.89 0.00 2.01 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 0.00 2.26 2.31 0.00 182 L 7.96 3.88 0.00 1.62 1.52 0.92 0.74 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 0.00 183 L 8.00 3.69 0.00 1.16 1.60 0.80 0.57 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 0.00 184 K 8.02 3.98 0.00 1.93 1.79 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.61 7.81 185 R 7.91 3.87 0.00 1.92 1.91 0.00 3.28 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 186 L 7.81 3.93 0.00 1.65 1.74 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 187 G 7.52 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 S 7.38 4.40 0.00 3.93 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 0.00 189 I 8.07 4.12 1.75 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 1.52 0.56 0.74 0.00 0.00 190 L 7.67 4.38 0.00 1.50 1.33 -0.01 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.34 4.35 0.00 1.71 1.66 0.00 1.94 0.00 0.00 1.82 0.00 0.00 3.36 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.