NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2966 8.0327 110.9384 61.1714 70.5236 174.0708 7 D 4.1599 8.7843 122.3839 57.8269 40.9318 177.3627 8 T 3.9472 8.2836 117.1718 67.5907 69.0112 176.4209 9 E 4.0183 8.3231 119.7139 60.8036 29.7248 180.6859 10 N 4.6427 7.9962 115.2340 56.2949 38.5473 177.6930 11 I 3.7144 7.8473 121.3381 64.4735 37.2229 178.3824 12 S 4.1804 8.3565 118.6137 62.4673 62.6847 177.4635 13 E 3.9966 8.0232 120.2607 60.9205 29.3786 180.7289 14 L 3.9527 7.9589 121.4775 57.9151 42.1364 179.0935 15 L 4.2181 8.8725 122.1357 58.4731 41.6100 180.2107 16 K 4.0561 8.5086 124.0470 60.1901 31.5419 181.1406 17 T 4.1586 7.8944 116.6116 66.7828 68.3584 176.5635 18 Y 4.4157 8.1552 118.8870 60.9324 37.8442 178.5022 19 W 4.1323 8.6971 129.4315 60.6411 30.9493 178.0052 20 S 4.0032 8.4640 113.0724 61.3056 61.7200 176.2565 21 I 3.7709 7.8741 122.7694 64.3468 36.8046 178.1907 22 Q 3.9518 8.4141 123.0534 59.5959 28.6884 178.9640 23 R 3.5780 7.6163 121.8759 61.3295 29.1471 181.5306 24 I 3.8332 7.5006 120.3003 64.1037 37.0061 178.5492 25 S 4.2586 8.3748 116.1876 61.8315 62.7185 176.5507 26 A 4.0398 8.2085 123.5055 55.2782 17.8866 179.8565 27 G 3.3711 7.6896 104.0952 48.2100 0.0000 175.5281 28 Y 4.1937 7.6319 118.6010 60.2798 37.7852 178.0926 29 A 4.0422 8.2463 122.4922 55.2615 18.5024 179.3884 30 D 4.2253 8.2012 117.4648 57.5827 40.8616 179.0976 31 Q 3.7159 7.7038 118.4899 58.5103 28.3364 178.2382 32 N 4.1860 7.7132 116.9888 56.5599 39.3997 176.2150 33 A 4.1175 8.0877 122.1224 55.4848 18.3335 179.4489 34 A 3.9427 7.9466 119.1219 55.2619 18.1768 179.7129 35 S 4.2922 7.7976 111.2374 60.4373 63.4333 175.5965 36 L 4.4635 7.8466 121.1217 54.1535 41.8306 177.2512 37 G 3.9323 7.6580 106.9700 45.5528 0.0000 173.3118 38 L 4.9957 7.4680 117.7593 52.2476 45.0374 177.0123 39 T 4.2419 8.4159 112.3866 61.2768 71.0105 175.9808 40 I 3.6986 8.1428 121.9384 64.5431 36.8434 178.5094 41 Q 3.9823 7.9356 119.1871 59.1224 29.0346 177.7687 42 Q 4.1404 7.9955 118.4400 59.0564 29.0019 178.4962 43 L 4.1841 7.9565 119.7496 57.3852 41.0628 179.8474 44 A 4.2676 7.8581 118.3782 52.6569 18.1011 179.2811 *46 I 4.0848 7.7206 123.1296 63.0925 39.3462 178.1814 47 N 4.4618 8.3973 117.8009 56.0259 38.1849 177.8245 48 V 3.7034 7.4634 120.5685 65.5267 31.4474 178.1911 49 I 3.7599 7.7064 117.9555 64.4411 37.0614 177.2466 50 Y 4.4799 8.0968 119.9167 60.8077 38.5433 178.0279 51 S 4.3092 8.2534 114.4283 59.8771 64.6762 173.6781 52 T 4.8602 7.7969 119.0872 60.6355 68.6429 170.7589 53 P 4.4273 0.0000 0.0000 64.1833 32.0512 177.6502 54 G 3.9893 9.1055 111.8729 44.7552 0.0000 173.3701 55 I 3.7570 7.7278 121.2081 60.8230 38.7145 175.5573 56 S 4.9416 8.3776 122.0066 57.7747 65.4854 175.5385 57 V 3.5638 8.3953 122.4108 66.0242 30.8187 178.2980 58 A 3.9905 8.3333 120.6961 55.3681 18.1313 179.3344 59 D 4.3471 7.9050 117.2933 57.0012 40.9920 178.7668 60 L 3.9356 8.1123 121.0735 58.3904 42.2247 179.0162 61 T 3.8807 8.2093 116.0089 66.7148 68.4468 176.6963 62 K 3.9727 7.7330 119.6620 59.5405 31.9013 179.3906 63 R 3.9294 8.0564 117.8653 58.9857 30.0403 177.5764 64 L 4.3247 7.9050 115.9040 53.5670 42.7599 176.1731 65 I 3.2644 7.5742 119.1772 62.6168 34.9777 172.5306 66 I 4.6929 7.4014 110.7406 58.3306 41.1257 175.9481 67 T 4.2008 7.8399 117.1328 63.3279 70.1597 176.3434 68 G 3.6355 8.5951 110.1945 47.8679 0.0000 176.3977 69 S 4.2267 7.9988 117.3925 61.4140 62.9391 176.5837 70 S 4.1727 8.0227 116.4062 61.1370 62.8703 176.3275 71 A 3.9301 8.2170 124.2872 54.9721 18.1929 179.5178 72 A 3.9152 8.1629 119.1509 55.0348 18.4487 179.7113 73 A 3.9381 8.0277 119.3314 55.5650 18.5133 179.7068 74 N 4.3243 8.4082 115.1895 56.2444 38.4945 177.8977 75 V 3.5838 8.0222 119.8735 66.0557 31.6335 177.7603 76 D 4.4444 8.2585 118.7308 57.3333 40.7300 178.9563 77 G 3.6613 8.1246 106.0600 48.0542 0.0000 175.7539 78 L 4.0866 8.1065 121.6027 57.3576 41.6183 179.7165 79 I 4.0435 7.9205 121.4540 63.8575 36.7557 178.6221 80 S 4.1803 7.8820 115.4289 61.3861 62.7951 175.9834 81 L 4.3116 7.6543 118.3652 54.7218 41.4870 177.5408 82 G 3.8905 7.6170 106.5856 46.3671 0.0000 174.5056 83 L 4.5478 7.8255 120.7830 55.0497 43.6316 176.9470 84 V 5.0233 7.6130 111.0285 59.6327 36.4280 174.7445 85 V 4.6939 8.8062 116.6279 59.3980 35.4597 175.2024 86 K 4.6919 8.6400 122.4580 56.4587 32.5549 176.8851 87 L 4.4946 8.5648 122.3639 55.2669 42.9148 178.7170 88 N 4.4938 7.8225 117.1007 52.7096 38.9816 173.3616 *97 D 4.3244 8.3166 120.2353 54.2809 42.4852 175.5542 98 L 4.2787 8.3358 124.3313 56.1167 42.9423 175.6418 99 T 5.2085 8.9976 116.5458 60.0879 71.5876 173.4547 100 L 5.4988 8.8102 122.8683 53.2352 46.3848 175.4860 101 K 4.9474 8.5851 119.0074 55.4031 36.3474 175.4664 102 L 4.7663 8.5433 121.3896 54.8684 42.7282 177.0353 103 S 4.5324 8.6344 119.7135 57.9211 65.0796 175.9629 104 K 3.9339 8.7189 123.8297 59.8922 31.2615 176.5704 105 K 4.1731 8.1101 120.6954 59.3293 32.1386 178.9915 106 G 3.5494 8.0851 105.9890 47.6648 0.0000 175.5792 107 E 3.5752 8.4166 123.6241 59.6794 29.5092 179.6333 108 D 4.3397 8.1859 121.2971 58.6808 39.9847 180.6292 109 L 4.2011 7.8071 120.6585 57.2964 41.3821 179.6370 110 S 3.9693 7.8842 113.2836 61.3403 62.3170 176.3842 111 K 3.9662 7.9347 121.1119 59.5422 31.5008 179.5232 112 R 4.0140 7.6272 117.1051 58.8447 30.0260 178.6211 113 S 4.2702 7.6678 112.6416 61.3207 62.4399 175.9421 114 T 4.1637 7.5725 111.3516 63.9094 70.2975 175.6958 115 A 4.2842 7.6201 125.6549 50.2714 16.8604 176.4958 116 N 4.4889 8.0168 117.2965 52.7705 38.8548 174.2368 117 A 4.0666 8.5915 129.9207 55.0328 18.5951 178.5300 118 F 4.4156 8.5430 114.4144 58.5204 38.9290 177.4266 *120 Y 4.1579 8.1950 121.3897 58.6228 39.4745 177.6642 121 K 3.9817 7.8055 118.9029 57.4896 32.2778 179.8367 122 A 4.2065 7.0835 121.9460 51.5558 15.7790 177.5072 *125 K 4.2571 7.9479 121.9118 55.7993 34.9555 178.9575 126 V 3.6962 7.6611 117.9341 66.0263 31.6219 178.1322 127 F 4.4079 8.3579 117.7775 60.2255 39.0270 177.2581 128 E 4.0189 7.9654 119.3345 58.8993 29.3056 177.3632 129 N 4.8840 8.1000 114.4715 52.6984 38.6908 174.5164 130 L 4.9330 7.3701 117.9904 52.5275 45.2721 177.1521 131 T 4.3450 9.2883 114.9658 61.6481 71.2232 176.5212 132 E 3.9191 8.5366 120.8359 61.4906 29.8622 179.7901 133 N 4.5697 8.0687 116.8677 56.0254 38.6095 177.3412 134 E 3.9171 8.0757 120.1973 59.3621 29.5616 179.3021 135 I 3.3698 7.4463 119.7664 64.3742 37.0949 178.3448 136 E 3.9585 8.0975 119.3197 59.4409 29.2447 179.3361 137 E 3.9932 8.0722 118.1937 58.9117 29.6278 178.7706 138 L 3.9196 8.3175 120.8191 58.4618 42.1972 179.2579 139 I 3.7704 7.7124 119.5556 64.3349 36.8736 178.5170 140 R 3.9269 7.9379 119.6385 59.3758 29.9426 178.6233 141 L 4.0529 8.5930 119.1872 57.8569 41.5894 179.2023 142 N 4.5051 8.3304 116.5284 56.1530 38.4709 177.4252 143 K 3.9642 8.0354 120.6322 59.0535 32.2291 178.8494 144 K 4.1108 7.7748 121.6817 58.4238 32.0905 179.0660 145 V 3.5796 7.8764 118.7010 65.9001 31.5587 177.2911 146 E 3.8781 8.4036 119.5878 59.7717 29.1187 178.9563 147 T 3.8950 7.9360 109.4832 64.9064 68.8185 176.3223 148 L 4.0150 8.1326 121.8472 57.4887 41.4206 179.4724 149 L 4.0748 8.2305 118.4663 57.5144 41.6455 179.0220 150 K 4.2447 8.0159 115.9581 57.3477 32.0884 177.2407 151 K 4.1953 7.7048 124.1928 56.4276 32.4408 175.7964 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 6 T 8.03 4.30 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 7 D 8.78 4.16 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.28 3.95 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 9 E 8.32 4.02 0.00 1.99 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 2.24 2.22 0.00 10 N 8.00 4.64 0.00 2.92 2.87 0.00 0.00 6.87 6.77 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 11 I 7.85 3.71 2.03 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 1.54 1.07 0.94 0.00 0.00 12 S 8.36 4.18 0.00 3.97 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 13 E 8.02 4.00 0.00 2.01 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 2.24 2.19 0.00 14 L 7.96 3.95 0.00 1.77 1.82 0.41 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.87 4.22 0.00 1.73 1.79 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.51 4.06 0.00 1.72 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 17 T 7.89 4.16 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 1.17 0.00 0.00 18 Y 8.16 4.42 0.00 3.20 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 19 W 8.70 4.13 0.00 3.46 3.42 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 20 S 8.46 4.00 0.00 4.27 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.87 3.77 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.96 0.00 0.00 22 Q 8.41 3.95 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 23 R 7.62 3.58 0.00 1.86 1.93 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 24 I 7.50 3.83 2.03 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 1.48 1.09 1.06 0.00 0.00 25 S 8.37 4.26 0.00 3.99 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 26 A 8.21 4.04 1.27 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 27 G 7.69 3.37 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 0.00 0.00 0.00 0.00 28 Y 7.63 4.19 0.00 3.16 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 29 A 8.25 4.04 1.37 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 0.00 0.00 0.00 30 D 8.20 4.23 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.70 3.72 0.00 1.61 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 32 N 7.71 4.19 0.00 3.11 3.04 0.00 0.00 7.19 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 33 A 8.09 4.12 1.37 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 0.00 0.00 0.00 34 A 7.95 3.94 1.32 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 35 S 7.80 4.29 0.00 4.27 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 0.00 36 L 7.85 4.46 0.00 1.80 1.75 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.66 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 38 L 7.47 5.00 0.00 1.59 1.53 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.42 4.24 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 40 I 8.14 3.70 1.86 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 1.50 0.86 0.90 0.00 0.00 41 Q 7.94 3.98 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 42 Q 8.00 4.14 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 43 L 7.96 4.18 0.00 1.71 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.86 4.27 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 *46 I 7.72 4.08 2.00 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 1.40 0.68 0.85 0.00 0.00 47 N 8.40 4.46 0.00 2.75 2.93 0.00 0.00 6.71 8.11 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 48 V 7.46 3.70 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 1.19 0.00 0.00 1.00 0.00 0.00 49 I 7.71 3.76 2.04 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 1.55 0.68 1.01 0.00 0.00 50 Y 8.10 4.48 0.00 2.95 3.18 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 0.00 0.00 0.00 0.00 51 S 8.25 4.31 0.00 4.10 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 52 T 7.80 4.86 4.25 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 1.21 0.00 0.00 53 P 0.00 4.43 0.00 2.17 2.08 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 54 G 9.11 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 55 I 7.73 3.76 2.05 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 1.36 1.33 0.92 0.00 0.00 56 S 8.38 4.94 0.00 4.09 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 57 V 8.40 3.56 2.21 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 1.09 0.00 0.00 1.00 0.00 0.00 58 A 8.33 3.99 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 59 D 7.90 4.35 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.11 3.94 0.00 1.86 1.85 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.21 3.88 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 62 K 7.73 3.97 0.00 2.05 1.86 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.32 7.81 63 R 8.06 3.93 0.00 1.89 2.17 0.00 3.30 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 64 L 7.91 4.32 0.00 1.67 1.69 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.57 3.26 1.88 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 1.36 0.64 0.92 0.00 0.00 66 I 7.40 4.69 1.87 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 1.30 0.67 0.99 0.00 0.00 67 T 7.84 4.20 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 68 G 8.60 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.23 0.00 3.88 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 70 S 8.02 4.17 0.00 4.04 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 71 A 8.22 3.93 1.37 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 0.00 0.00 0.00 72 A 8.16 3.92 1.37 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 0.00 0.00 0.00 73 A 8.03 3.94 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 74 N 8.41 4.32 0.00 2.90 2.88 0.00 0.00 6.72 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 75 V 8.02 3.58 2.22 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 1.11 0.00 0.00 0.96 0.00 0.00 76 D 8.26 4.44 0.00 2.90 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 77 G 8.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.11 4.09 0.00 1.83 1.73 0.92 0.71 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 79 I 7.92 4.04 2.02 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 1.71 1.50 0.91 0.00 0.00 80 S 7.88 4.18 0.00 4.02 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 81 L 7.65 4.31 0.00 1.62 1.70 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.62 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 83 L 7.83 4.55 0.00 1.73 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.61 5.02 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 0.95 0.00 0.00 0.91 0.00 0.00 85 V 8.81 4.69 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 0.92 0.00 0.00 0.98 0.00 0.00 86 K 8.64 4.69 0.00 1.64 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 87 L 8.56 4.49 0.00 1.52 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.82 4.49 0.00 2.69 2.74 0.00 0.00 6.85 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 D 8.32 4.32 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.34 4.28 0.00 1.81 1.56 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.00 5.21 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 1.33 0.00 0.00 100 L 8.81 5.50 0.00 1.58 1.55 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.59 4.95 0.00 1.85 1.86 0.00 1.33 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.45 7.81 102 L 8.54 4.77 0.00 1.65 1.65 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.63 4.53 0.00 3.92 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 0.00 104 K 8.72 3.93 0.00 1.78 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.07 7.81 105 K 8.11 4.17 0.00 1.80 1.82 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.50 7.81 106 G 8.09 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.42 3.58 0.00 2.13 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 2.48 2.55 0.00 108 D 8.19 4.34 0.00 2.67 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 0.00 109 L 7.81 4.20 0.00 1.64 1.70 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.88 3.97 0.00 3.57 3.36 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 0.00 111 K 7.93 3.97 0.00 1.95 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 112 R 7.63 4.01 0.00 1.90 1.99 0.00 3.14 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 113 S 7.67 4.27 0.00 3.89 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 0.00 114 T 7.57 4.16 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 1.26 0.00 0.00 115 A 7.62 4.28 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 0.00 116 N 8.02 4.49 0.00 2.80 2.93 0.00 0.00 7.26 7.96 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 0.00 117 A 8.59 4.07 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 0.00 118 F 8.54 4.42 0.00 3.34 3.24 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 *120 Y 8.19 4.16 0.00 3.02 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 0.00 121 K 7.81 3.98 0.00 1.81 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.27 7.81 122 A 7.08 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 K 7.95 4.26 0.00 2.03 1.92 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.62 7.81 126 V 7.66 3.70 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 1.13 0.00 0.00 1.05 0.00 0.00 127 F 8.36 4.41 0.00 3.03 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 0.00 128 E 7.97 4.02 0.00 2.17 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 2.39 2.33 0.00 129 N 8.10 4.88 0.00 2.88 2.84 0.00 0.00 6.79 7.24 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 0.00 130 L 7.37 4.93 0.00 1.37 1.37 0.70 0.78 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 0.00 131 T 9.29 4.35 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 1.24 0.00 0.00 132 E 8.54 3.92 0.00 2.00 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 2.32 1.98 0.00 133 N 8.07 4.57 0.00 2.69 2.87 0.00 0.00 7.15 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 0.00 134 E 8.08 3.92 0.00 2.10 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 2.30 0.00 135 I 7.45 3.37 1.78 0.00 0.00 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 0.25 0.20 0.54 0.00 0.00 136 E 8.10 3.96 0.00 2.15 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 2.31 2.46 0.00 137 E 8.07 3.99 0.00 1.98 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 2.46 2.43 0.00 138 L 8.32 3.92 0.00 1.79 1.83 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.71 3.77 1.88 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 1.48 0.92 0.94 0.00 0.00 140 R 7.94 3.93 0.00 2.05 1.92 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 L 8.59 4.05 0.00 1.76 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.33 4.51 0.00 2.92 2.94 0.00 0.00 6.67 7.85 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 0.00 143 K 8.04 3.96 0.00 2.05 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 144 K 7.77 4.11 0.00 1.97 1.97 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.31 7.81 145 V 7.88 3.58 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 1.00 0.00 0.00 1.11 0.00 0.00 146 E 8.40 3.88 0.00 2.04 2.12 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 2.30 2.31 0.00 147 T 7.94 3.89 4.25 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 1.25 0.00 0.00 148 L 8.13 4.02 0.00 1.93 1.77 0.94 0.51 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 0.00 149 L 8.23 4.07 0.00 1.73 1.73 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.02 4.24 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.64 7.81 151 K 7.70 4.20 0.00 1.87 1.67 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.