NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 E 4.2745 8.4449 121.4713 56.0519 30.8208 175.1360 30 D 4.6559 8.3624 125.1953 52.2558 42.3845 175.0571 31 L 4.1456 8.1393 121.8408 54.1236 43.1142 175.1301 32 P 4.3396 0.0000 0.0000 62.0008 32.1345 175.5504 33 A 4.1127 8.0314 121.5812 52.2681 18.9297 177.0704 34 Y 4.4868 8.5540 118.7076 57.9086 39.1205 176.6177 35 E 4.8752 8.0439 116.8959 55.9186 30.3055 175.3815 36 E 4.2783 7.9883 120.4309 56.2198 30.6589 176.6450 37 A 4.9148 8.4716 127.1340 51.3492 19.5209 174.8437 38 E 5.0068 8.4355 122.0192 54.9633 32.9730 177.0483 39 I 4.2694 6.2453 122.9953 60.1502 37.8090 175.6461 40 T 4.4342 8.6119 116.5667 61.6132 70.6394 174.2580 41 K 4.5809 7.3657 122.0816 55.2631 35.8574 174.1858 42 V 4.3801 9.1070 126.6928 61.0550 33.6382 174.7467 43 G 3.9101 7.8205 114.2459 44.2041 0.0000 170.9365 44 A 5.0426 7.5927 119.7999 50.2951 22.7937 174.7995 45 Y 4.8988 9.1393 117.7686 56.3671 42.5960 174.1152 46 H 5.1286 9.1254 122.9312 54.9996 31.4464 173.5258 47 R 5.1383 8.5309 126.8099 55.0216 31.5253 175.0057 48 F 4.8839 8.4698 119.7398 55.8209 41.9012 172.6426 49 Y 4.9777 8.5359 118.2625 57.9542 37.7674 176.3182 50 S 4.4008 9.0119 119.7303 59.8196 63.3204 175.3255 51 G 4.1112 8.7615 108.0649 45.1777 0.0000 173.3331 52 D 4.7959 7.7956 119.9004 53.6519 42.3696 175.8120 53 K 5.0798 8.3226 120.4198 54.2922 35.9384 175.4420 54 D 4.5029 9.2334 124.1531 54.0816 41.5639 177.2928 55 A 4.1082 8.9270 128.8481 54.5007 18.9580 177.9254 56 I 4.2407 8.0334 115.1484 63.2886 38.4531 177.2086 57 T 4.0164 8.5916 108.7981 62.0996 69.0401 176.1271 58 G 3.9366 8.0909 109.3194 45.2970 0.0000 173.5993 59 E 4.1251 7.7287 120.1209 56.3716 30.5846 176.1066 60 N 4.8888 8.5534 121.7315 53.0146 39.7027 174.8635 61 I 4.0063 9.1381 125.4678 61.1990 38.4410 175.0525 62 V 4.4617 8.4532 127.1569 61.6968 32.5293 174.7360 63 A 4.7064 8.5276 129.0760 50.1099 22.5711 174.5303 64 E 5.1363 8.3224 116.9613 54.6968 33.8807 175.0532 65 K 4.5283 9.3195 125.1305 54.3502 34.8196 174.6344 66 E 3.3483 8.5038 128.8609 55.6648 30.1294 176.0830 67 L 4.3158 8.1552 127.2048 53.9925 43.0596 176.5856 68 D 4.5981 8.4924 121.4656 54.6716 41.8756 175.5430 69 R 5.1455 8.4676 121.4385 54.8498 33.9073 173.9561 70 T 4.7216 8.2699 112.8609 59.8882 72.1329 172.4365 71 N 5.3091 8.6218 119.8069 51.5742 42.5753 173.7827 72 N 4.7656 9.3904 121.2809 51.9116 41.1662 172.6539 73 I 4.6396 8.2894 126.6959 60.2194 38.3054 175.5229 74 D 4.6410 9.3365 129.8508 52.7009 40.8869 177.0223 75 S 4.2196 8.7700 120.1965 61.2997 63.0208 175.9070 76 E 3.7683 8.2844 118.0164 59.7374 29.0248 177.9410 77 H 4.4724 7.9236 111.4773 54.6174 29.6809 175.0421 78 G 2.2671 7.2135 108.4177 46.3405 0.0000 173.8853 79 V 4.9623 7.8667 117.4340 60.7990 35.0234 174.5351 80 A 5.1831 9.7193 130.4091 50.7284 21.4349 174.6886 81 T 5.1740 8.8431 119.1789 62.2576 71.4842 173.8942 82 A 4.8231 8.8822 126.4874 50.0083 23.1691 174.8597 83 V 4.3735 7.9169 121.0119 61.0552 34.0062 174.3905 84 F 5.5061 8.9448 127.2365 55.9736 41.8870 174.9122 85 T 5.1582 8.8133 111.8328 59.8700 72.2733 172.9249 86 I 4.4711 8.3246 124.2401 60.0903 37.7281 174.4659 87 P 4.5203 0.0000 0.0000 61.8849 31.9740 176.1789 88 A 4.1465 8.4033 122.7761 51.9753 18.9078 177.7060 89 A 4.3311 8.5807 123.0786 51.8964 19.4630 177.8473 90 G 4.3182 9.3451 112.1973 46.4909 0.0000 173.6514 91 G 3.8638 8.3810 110.9374 46.8500 0.0000 176.8117 92 K 4.2894 8.9669 123.5562 57.9549 32.5339 177.3429 93 F 4.4473 8.0658 123.4739 56.9724 37.7829 174.7427 94 T 4.4403 7.3224 116.6746 60.3665 71.0644 175.1348 95 E 3.7448 8.5174 119.9402 59.4933 29.1339 179.4847 96 A 3.9011 7.7176 119.1934 55.1352 18.8137 178.8270 97 E 3.7733 7.6147 117.3513 59.2654 29.4620 179.1008 98 R 3.4677 7.3825 117.8785 58.9891 29.8631 178.6234 99 A 4.0492 7.3815 119.4943 53.9606 18.5181 178.0886 100 K 4.2486 7.5025 113.8172 56.5312 32.7957 177.2446 101 V 3.6139 7.1856 120.2635 62.8957 31.8648 175.0924 102 S 4.7312 8.4548 120.7398 56.0889 65.5606 174.3634 103 L 4.1846 8.6241 128.2272 58.1624 41.9960 178.8259 104 S 4.5374 8.1172 113.7305 60.6857 63.4841 173.3626 105 N 5.4271 8.0535 118.5580 52.3830 38.1207 173.2892 106 L 4.8444 8.9431 123.6650 53.1936 45.9633 175.9373 107 V 4.6796 8.5457 126.0933 62.1091 32.8683 174.5700 108 V 4.7325 8.5936 128.1687 61.0916 34.0066 173.7233 109 Y 5.1148 8.4804 124.9292 55.2458 41.2502 174.7734 110 V 4.4876 7.8248 112.6362 59.5765 35.7291 174.4370 111 N 4.9405 8.5321 119.9998 51.8648 40.7229 174.6582 112 V 4.7381 7.9834 114.8979 58.8390 35.9717 175.3101 113 S 4.2321 8.4146 117.4785 59.0765 63.9375 174.9307 114 T 3.8722 8.5335 118.6169 65.4743 68.5462 174.1102 115 A 3.6802 8.7727 126.1740 52.5977 16.5237 177.1087 116 A 4.4784 7.8892 118.4724 52.2192 19.1921 177.8884 117 R 4.7062 8.5081 117.8932 54.3502 34.1617 174.5560 118 V 4.8415 8.5181 122.4083 61.6570 33.6228 174.8008 119 T 4.7673 9.0561 124.5178 61.0120 71.3227 171.7913 120 P 4.3828 0.0000 0.0000 62.5929 32.0744 176.1925 121 L 4.4335 8.3606 126.3702 53.5523 44.1942 181.2221 122 D 4.1763 8.6457 120.0954 54.5200 39.6896 175.7000 123 G 4.0248 8.5928 104.7326 47.0480 0.0000 173.3861 124 S 3.9046 7.7046 116.6576 56.6045 63.4255 172.9827 125 P 4.3452 0.0000 0.0000 62.0436 31.9527 176.2576 126 K 4.1843 8.1394 118.6518 56.1182 32.7319 177.3768 127 F 4.7032 8.3259 120.4269 58.7311 39.5720 176.0515 128 G 4.0012 9.5465 111.2526 45.7488 0.0000 173.5636 129 V 4.5501 7.4755 117.6334 59.8654 34.7103 173.4571 130 P 4.6097 0.0000 0.0000 63.1847 31.7960 175.3256 131 A 4.6112 9.0121 124.6412 50.7028 23.5865 174.6243 132 D 4.7843 8.4614 119.1228 53.0699 41.8905 175.7024 133 W 4.8169 9.2057 127.4236 56.7652 30.0435 178.6856 134 T 3.8814 8.5910 113.5261 63.7739 68.4321 174.4643 135 R 4.6880 6.9701 117.6618 53.5712 32.8505 175.2580 136 E 4.5971 8.3615 117.4149 56.9937 30.8172 175.8391 137 H 4.9910 9.4650 117.4876 54.2172 33.4867 172.6255 138 K 5.2260 8.3901 120.3833 55.4743 34.7791 174.9884 139 Y 5.1705 9.2277 119.7162 56.5317 43.0878 173.9626 140 S 5.2154 9.4345 117.7883 57.1588 64.5124 173.7730 141 V 4.7812 9.2278 128.3059 60.6431 34.5620 173.9100 *143 A 4.6496 8.5274 120.8134 51.6015 19.6348 177.7628 144 A 3.9424 8.9322 121.8932 55.4357 18.3562 178.5817 145 D 4.5903 8.3157 112.5631 53.5603 39.7778 177.3772 146 G 4.0229 8.3177 109.4796 45.3539 0.0000 174.3390 147 T 4.0188 8.0345 116.9789 64.0305 68.7887 173.8318 148 K 4.9942 8.7017 125.1890 54.6536 34.8927 175.6616 149 K 4.6257 9.1084 124.4791 54.8099 35.6769 175.0762 150 I 4.7292 8.5075 128.4221 60.8815 38.0371 175.2612 151 W 5.0537 9.7309 126.7108 55.1909 33.0441 174.4334 152 T 5.1758 9.2510 120.4227 61.9832 70.6344 173.3470 153 V 5.0629 9.5580 127.3002 61.1353 34.0030 174.1029 154 K 5.0166 9.2258 129.3679 54.6713 34.8077 174.7113 155 V 5.0529 8.8556 126.9796 61.3188 34.2806 174.4726 156 T 4.8903 8.7428 116.7481 59.7537 72.5337 172.3068 157 L 5.1573 8.5715 124.3025 53.5698 44.5072 175.2850 158 N 4.7726 9.1632 125.2327 51.8102 39.2804 175.6212 159 K 4.1705 8.5192 122.6079 56.5057 32.3805 177.0912 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 29 E 8.44 4.27 0.00 1.95 1.92 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 2.19 2.34 0.00 30 D 8.36 4.66 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.15 0.00 1.76 1.81 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.34 0.00 1.87 1.94 0.00 3.74 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 1.48 1.82 0.00 33 A 8.03 4.11 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 34 Y 8.55 4.49 0.00 3.06 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 35 E 8.04 4.88 0.00 2.12 2.25 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 2.25 2.30 0.00 36 E 7.99 4.28 0.00 2.06 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 2.41 2.31 0.00 37 A 8.47 4.91 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 38 E 8.44 5.01 0.00 1.90 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 2.38 2.51 0.00 39 I 6.25 4.27 0.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.45 0.00 0.00 40 T 8.61 4.43 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 1.13 0.00 0.00 41 K 7.37 4.58 0.00 1.76 1.56 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.38 7.81 42 V 9.11 4.38 1.93 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 0.65 0.00 0.00 0.75 0.00 0.00 43 G 7.82 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 44 A 7.59 5.04 -0.28 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 45 Y 9.14 4.90 0.00 2.85 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 46 H 9.13 5.13 0.00 3.33 3.30 0.00 5.76 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.53 5.14 0.00 1.98 1.77 0.00 3.22 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.00 48 F 8.47 4.88 0.00 3.12 3.03 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 49 Y 8.54 4.98 0.00 2.99 2.86 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 50 S 9.01 4.40 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.76 4.11 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 0.00 0.00 0.00 52 D 7.80 4.80 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 5.08 0.00 1.56 1.64 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.33 7.81 54 D 9.23 4.50 0.00 2.74 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 0.00 0.00 0.00 0.00 55 A 8.93 4.11 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 56 I 8.03 4.24 1.95 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 1.46 0.93 0.91 0.00 0.00 57 T 8.59 4.02 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 1.21 0.00 0.00 58 G 8.09 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 59 E 7.73 4.13 0.00 1.93 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 2.33 2.44 0.00 60 N 8.55 4.89 0.00 2.14 2.31 0.00 0.00 7.07 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 61 I 9.14 4.01 1.96 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 1.11 0.62 0.89 0.00 0.00 62 V 8.45 4.46 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 0.53 0.00 0.00 0.90 0.00 0.00 63 A 8.53 4.71 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.32 5.14 0.00 1.71 1.93 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 2.41 2.22 0.00 65 K 9.32 4.53 0.00 1.73 1.29 0.00 1.27 0.00 0.00 1.30 0.00 0.00 2.49 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.65 7.81 66 E 8.50 3.35 0.00 1.24 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 1.88 1.47 0.00 67 L 8.16 4.32 0.00 1.30 1.74 0.78 0.98 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 68 D 8.49 4.60 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.47 5.15 0.00 1.91 1.83 0.00 3.13 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 70 T 8.27 4.72 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 1.14 0.00 0.00 71 N 8.62 5.31 0.00 2.50 2.64 0.00 0.00 6.67 8.00 0.00 0.00 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 N 9.39 4.77 0.00 2.64 2.65 0.00 0.00 7.06 7.95 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 73 I 8.29 4.64 1.93 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 1.22 0.95 1.16 0.00 0.00 74 D 9.34 4.64 0.00 2.73 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 75 S 8.77 4.22 0.00 4.06 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 76 E 8.28 3.77 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 77 H 7.92 4.47 0.00 3.15 3.26 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.87 4.96 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 1.00 0.00 0.00 0.97 0.00 0.00 80 A 9.72 5.18 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 81 T 8.84 5.17 4.36 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 1.19 0.00 0.00 82 A 8.88 4.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.92 4.37 1.92 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 0.90 0.00 0.00 0.83 0.00 0.00 84 F 8.94 5.51 0.00 3.00 2.86 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 85 T 8.81 5.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 86 I 8.32 4.47 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 1.12 0.00 0.00 87 P 0.00 4.52 0.00 2.06 1.97 0.00 3.72 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 1.90 2.01 0.00 88 A 8.40 4.15 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 89 A 8.58 4.33 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 90 G 9.35 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 0.00 0.00 0.00 0.00 91 G 8.38 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 0.00 0.00 0.00 92 K 8.97 4.29 0.00 2.02 2.25 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.47 7.81 93 F 8.07 4.45 0.00 3.15 3.16 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 94 T 7.32 4.44 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 1.26 0.00 0.00 95 E 8.52 3.74 0.00 1.91 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 2.33 2.28 0.00 96 A 7.72 3.90 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 97 E 7.61 3.77 0.00 1.66 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 1.47 1.81 0.00 98 R 7.38 3.47 0.00 1.80 1.78 0.00 3.11 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.12 0.00 99 A 7.38 4.05 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 0.00 100 K 7.50 4.25 0.00 1.89 1.91 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 101 V 7.19 3.61 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 0.76 0.00 0.00 0.98 0.00 0.00 102 S 8.45 4.73 0.00 3.88 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.62 4.18 0.00 1.86 1.75 1.18 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.12 4.54 0.00 4.00 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 0.00 105 N 8.05 5.43 0.00 2.74 2.75 0.00 0.00 6.90 7.52 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 0.00 106 L 8.94 4.84 0.00 2.06 1.66 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.55 4.68 2.31 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 0.98 0.00 0.00 1.04 0.00 0.00 108 V 8.59 4.73 1.47 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 0.47 0.00 0.00 -0.24 0.00 0.00 109 Y 8.48 5.11 0.00 2.98 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 0.00 110 V 7.82 4.49 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 -0.21 0.00 0.00 -0.07 0.00 0.00 111 N 8.53 4.94 0.00 2.57 2.65 0.00 0.00 7.01 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 0.00 112 V 7.98 4.74 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 0.50 0.00 0.00 0.91 0.00 0.00 113 S 8.41 4.23 0.00 3.88 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 0.00 114 T 8.53 3.87 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 115 A 8.77 3.68 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 0.00 116 A 7.89 4.48 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 0.00 117 R 8.51 4.71 0.00 1.75 1.84 0.00 3.30 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 118 V 8.52 4.84 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.96 0.00 0.00 119 T 9.06 4.77 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 1.25 0.00 0.00 120 P 0.00 4.38 0.00 1.84 1.93 0.00 3.70 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 2.05 2.25 0.00 121 L 8.36 4.43 0.00 1.59 1.49 0.93 0.94 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 0.00 122 D 8.65 4.18 0.00 2.76 1.63 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 0.00 123 G 8.59 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 0.00 0.00 0.00 124 S 7.70 3.90 0.00 3.42 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 0.00 125 P 0.00 4.35 0.00 2.04 1.74 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.00 126 K 8.14 4.18 0.00 1.79 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 127 F 8.33 4.70 0.00 3.13 3.02 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 0.00 128 G 9.55 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.48 4.55 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 0.88 0.00 0.00 1.03 0.00 0.00 130 P 0.00 4.61 0.00 2.01 2.03 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 131 A 9.01 4.61 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 0.00 132 D 8.46 4.78 0.00 2.69 2.54 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 0.00 133 W 9.21 4.82 0.00 3.57 3.33 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 0.00 134 T 8.59 3.88 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 1.29 0.00 0.00 135 R 6.97 4.69 0.00 1.75 1.77 0.00 3.16 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 136 E 8.36 4.60 0.00 2.19 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 2.28 2.35 0.00 137 H 9.47 4.99 0.00 3.15 2.85 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.39 5.23 0.00 1.64 1.72 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.47 7.81 139 Y 9.23 5.17 0.00 3.14 3.05 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 0.00 140 S 9.43 5.22 0.00 3.93 3.82 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 0.00 141 V 9.23 4.78 2.47 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 1.17 0.00 0.00 0.97 0.00 0.00 *143 A 8.53 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.93 3.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.59 0.00 2.83 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 0.00 146 G 8.32 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 0.00 0.00 0.00 147 T 8.03 4.02 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 1.26 0.00 0.00 148 K 8.70 4.99 0.00 1.66 1.77 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.66 7.81 149 K 9.11 4.63 0.00 1.87 2.00 0.00 1.66 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.08 1.30 7.81 150 I 8.51 4.73 1.86 0.00 0.00 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 1.37 0.94 0.96 0.00 0.00 151 W 9.73 5.05 0.00 3.43 3.28 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 0.00 152 T 9.25 5.18 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 153 V 9.56 5.06 2.80 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 1.15 0.00 0.00 1.24 0.00 0.00 154 K 9.23 5.02 0.00 2.00 1.70 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.45 7.81 155 V 8.86 5.05 2.35 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 1.14 0.00 0.00 0.81 0.00 0.00 156 T 8.74 4.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 157 L 8.57 5.16 0.00 1.74 1.65 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.16 4.77 0.00 2.64 2.78 0.00 0.00 7.07 7.42 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 0.00 159 K 8.52 4.17 0.00 1.76 1.72 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.