NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.3321 8.2893 120.3429 55.1148 33.0483 174.2289 7 I 3.7003 7.2102 114.6368 59.7835 38.7022 173.0687 8 P 4.4363 0.0000 0.0000 63.4317 32.5023 178.5177 9 G 3.9319 8.9994 111.1570 45.3991 0.0000 174.3548 10 G 3.9179 7.1814 109.0406 44.9461 0.0000 172.7478 11 L 4.8825 7.9616 119.9076 52.5342 44.3656 176.8831 12 S 4.3200 8.4620 118.0572 57.8247 64.1625 172.9323 13 E 4.2406 8.4209 121.2284 55.7187 30.4609 175.5589 14 A 4.4085 8.2944 123.8387 51.5749 19.4141 177.0406 15 K 4.7156 8.6657 120.0731 53.7361 36.5265 174.3498 16 P 4.9310 0.0000 0.0000 62.2635 32.2397 176.2488 17 A 4.3797 8.6422 123.3918 52.1572 19.4415 176.8726 18 T 4.6382 7.8436 108.7151 58.4536 72.1548 173.2640 19 P 4.4111 0.0000 0.0000 65.6079 31.0378 178.6535 20 E 3.8517 7.8346 118.3725 59.0464 29.5571 178.7104 21 I 3.3643 7.3062 119.3319 64.2358 37.1858 177.6610 22 Q 3.8550 8.3318 120.6213 59.3163 28.7435 178.0403 23 E 3.8375 7.9585 119.9391 59.5807 29.6119 178.6580 24 I 3.5196 7.8697 119.9222 64.6979 37.0721 178.5956 25 V 3.5808 7.7817 118.6530 65.8522 31.0562 177.7880 26 D 4.3150 7.8580 118.1637 56.9666 40.7964 178.5284 27 K 4.0896 8.2330 118.7540 58.8724 32.3095 178.9494 28 V 3.8461 7.8533 118.2148 64.6809 31.4930 177.5435 29 K 3.8282 8.2149 119.9172 59.2523 31.7552 176.6453 30 P 4.2934 0.0000 0.0000 65.1202 31.2064 178.5591 31 Q 4.0707 8.3804 117.8326 58.7879 28.6990 178.1115 32 L 3.6086 7.7676 120.8586 58.1743 42.0381 178.7979 33 E 4.1499 7.9909 118.9127 59.0319 29.3082 178.4847 34 E 4.2117 8.1403 115.4338 57.8657 29.6131 177.9263 35 K 4.4544 7.4144 118.3001 57.6654 34.3179 177.4818 36 T 4.2891 7.9400 107.3105 61.1623 69.2794 174.5045 37 N 4.2066 7.8310 118.4476 54.5054 38.3451 173.8189 38 E 4.3292 7.4352 116.5900 55.9337 31.5582 176.5141 39 T 4.4789 7.3462 116.3989 64.1358 70.4574 172.9152 40 Y 4.2732 9.2060 125.2424 57.1893 40.0855 177.2918 *43 G 4.4372 7.8559 109.9172 45.2316 0.0000 175.3977 44 K 4.1087 8.7292 124.2701 56.1696 33.1664 176.0909 45 L 4.5205 8.3322 122.1426 53.0956 43.6099 175.4641 46 E 4.5262 8.8414 126.7532 54.2214 30.9833 174.7309 47 A 4.1377 8.7621 129.9958 53.2504 18.2917 176.6010 48 V 4.1567 9.0469 122.8772 65.1062 33.3851 175.2598 49 Q 5.0607 7.7788 119.2953 55.9464 32.7968 171.9628 50 Y 5.4110 9.0241 118.5510 56.4548 41.7367 173.3376 51 K 4.6200 8.9658 118.5239 54.9300 36.7259 175.6878 52 T 4.9157 8.8495 119.2262 61.9450 72.1670 173.0959 53 Q 4.6241 8.1603 124.0046 54.7102 33.0026 174.0587 54 V 4.2644 8.4182 119.9066 60.6445 31.9451 175.1645 55 V 4.5724 8.4620 124.0655 60.4928 34.1273 176.7823 56 A 4.3800 8.7304 120.9601 50.3601 17.4874 177.1429 57 G 3.7100 6.7843 109.9766 44.2085 0.0000 170.3981 58 T 5.0184 8.3689 117.1426 61.7436 72.5833 173.3542 59 N 5.5044 8.8509 122.0502 51.8707 41.2312 173.4268 60 Y 4.5503 9.8110 123.8269 57.7834 39.9785 174.8400 61 Y 4.7314 9.5074 121.5103 56.3491 39.9904 173.5671 62 I 4.8270 8.8840 125.4054 59.9654 39.3908 174.9387 63 K 4.8435 9.0322 129.5070 55.4386 32.9694 174.8904 64 V 4.6331 8.7064 128.8556 61.1775 33.6134 174.5205 65 R 3.9212 9.0959 129.4514 55.3820 30.8432 175.1659 66 A 4.8357 8.9028 129.4525 50.9032 20.3700 173.0489 67 G 3.6635 9.3799 105.2823 44.3775 0.0000 173.0125 68 D 3.7076 7.0912 119.4757 56.0171 44.0625 176.6306 *92 N 5.2760 7.4566 117.3049 53.6011 40.4764 175.0972 93 K 4.8050 8.3200 118.3680 55.1197 34.6071 176.3673 94 Y 5.1187 8.9340 122.4730 56.3816 41.3999 174.5846 95 M 4.8489 9.2713 121.2930 54.1783 36.7378 174.1475 96 H 5.4438 9.0213 119.9515 54.3086 31.2060 173.1486 97 L 4.9870 9.1503 124.3656 53.4114 44.2573 176.1669 98 K 4.5993 8.9711 122.3764 54.8235 34.6552 174.8479 99 V 4.9031 8.5214 127.8900 61.0840 34.2874 173.9826 100 F 5.5759 8.9339 129.3587 55.8165 41.2712 173.9736 101 K 4.3149 9.3626 129.5631 54.8148 33.7807 176.3690 102 S 4.0168 8.1873 122.0468 58.2270 63.9393 172.3623 102A L 4.6449 8.2552 120.2084 53.1305 42.9606 177.2368 103 P 4.1246 0.0000 0.0000 65.0967 33.3548 177.6292 104 G 3.5610 8.4155 98.8326 49.1646 0.0000 175.3079 105 Q 4.0847 9.1165 118.4164 55.6740 30.1929 175.4468 105A N 4.6743 8.3642 117.8166 52.7511 38.3293 173.4400 106 E 4.6778 8.1754 124.7482 55.0951 32.7028 174.6712 107 D 4.7758 8.2771 124.5552 53.0302 43.1765 175.9651 108 L 4.3147 8.0962 119.0337 55.4253 42.7178 177.2053 109 V 4.5925 8.1678 119.3432 61.2011 35.1752 174.2483 110 L 4.7041 9.8796 131.4795 55.0357 41.4400 176.1980 111 T 4.4285 8.4664 116.7977 61.6365 69.9115 174.4842 112 G 4.3606 7.6730 108.3849 46.5067 0.0000 172.0521 113 Y 5.3705 8.2144 114.3016 56.3532 40.4575 173.4589 114 Q 4.4275 8.7264 123.4489 54.2437 31.1458 174.8547 115 V 4.5737 7.9267 121.3512 61.8734 35.2266 174.8066 115A D 4.6976 8.9479 120.0426 54.5978 37.9757 175.0042 116 K 4.2158 7.5741 119.2263 56.6041 32.4832 176.7199 117 N 4.9516 8.3978 119.4640 51.7110 40.1603 175.4717 118 K 2.8552 7.8603 119.1352 58.4008 32.2679 177.0602 119 D 4.6573 7.6161 116.2422 54.3305 42.2768 175.9161 120 D 4.3128 8.1521 118.0804 54.3658 40.9346 176.3632 121 E 4.0893 8.7070 125.2457 55.9189 30.3175 176.3599 122 L 4.2696 8.3502 125.9215 55.0583 42.4037 176.3559 123 T 4.7606 8.4541 111.3478 59.6281 71.8812 173.7005 124 G 3.9126 8.6763 111.4210 45.8987 0.0000 173.6396 125 F 4.5033 8.6369 116.1089 57.5777 37.2501 173.6676 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 M 8.29 4.33 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 7 I 7.21 3.70 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 1.38 0.74 0.89 0.00 0.00 8 P 0.00 4.44 0.00 2.05 2.01 0.00 3.69 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 2.01 2.05 0.00 9 G 9.00 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 10 G 7.18 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 0.00 0.00 0.00 11 L 7.96 4.88 0.00 1.32 1.30 0.35 0.22 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 12 S 8.46 4.32 0.00 3.72 3.77 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 13 E 8.42 4.24 0.00 1.94 1.85 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 2.25 2.23 0.00 14 A 8.29 4.41 1.21 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 0.00 0.00 0.00 15 K 8.67 4.72 0.00 1.56 1.68 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.19 1.33 7.81 16 P 0.00 4.93 0.00 2.02 2.05 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 17 A 8.64 4.38 1.26 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 0.00 0.00 18 T 7.84 4.64 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 19 P 0.00 4.41 0.00 2.14 2.12 0.00 3.56 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 2.10 2.13 0.00 20 E 7.83 3.85 0.00 1.94 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 2.15 2.26 0.00 21 I 7.31 3.36 1.81 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.70 0.00 0.00 22 Q 8.33 3.86 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 23 E 7.96 3.84 0.00 2.12 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 2.24 2.31 0.00 24 I 7.87 3.52 1.84 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.67 0.00 0.00 25 V 7.78 3.58 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 1.05 0.00 0.00 0.89 0.00 0.00 26 D 7.86 4.32 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 4.09 0.00 1.78 1.82 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.37 7.81 28 V 7.85 3.85 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 0.97 0.00 0.00 0.91 0.00 0.00 29 K 8.21 3.83 0.00 1.95 1.78 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 30 P 0.00 4.29 0.00 2.18 2.07 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 31 Q 8.38 4.07 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.66 2.35 0.00 32 L 7.77 3.61 0.00 1.49 1.45 0.27 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.99 4.15 0.00 2.28 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 2.65 2.56 0.00 34 E 8.14 4.21 0.00 2.12 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 2.45 2.41 0.00 35 K 7.41 4.45 0.00 1.84 1.90 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.52 7.81 36 T 7.94 4.29 4.56 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 1.15 0.00 0.00 37 N 7.83 4.21 0.00 2.84 2.89 0.00 0.00 7.13 7.10 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 38 E 7.44 4.33 0.00 1.64 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 2.01 2.12 0.00 39 T 7.35 4.48 4.14 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 0.00 0.00 0.00 1.18 0.00 0.00 40 Y 9.21 4.27 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 *43 G 7.86 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.73 4.11 0.00 1.86 1.81 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 45 L 8.33 4.52 0.00 1.45 1.54 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.84 4.53 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 47 A 8.76 4.14 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 48 V 9.05 4.16 2.37 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 0.92 0.00 0.00 1.08 0.00 0.00 49 Q 7.78 5.06 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.51 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 50 Y 9.02 5.41 0.00 3.27 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 51 K 8.97 4.62 0.00 1.64 1.48 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.32 7.81 52 T 8.85 4.92 4.08 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 1.00 0.00 0.00 53 Q 8.16 4.62 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 54 V 8.42 4.26 2.06 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 0.72 0.00 0.00 0.89 0.00 0.00 55 V 8.46 4.57 2.17 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 0.74 0.00 0.00 1.21 0.00 0.00 56 A 8.73 4.38 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 57 G 6.78 3.71 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 0.00 58 T 8.37 5.02 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 0.91 0.00 0.00 59 N 8.85 5.50 0.00 2.86 3.12 0.00 0.00 7.07 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 60 Y 9.81 4.55 0.00 2.91 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 61 Y 9.51 4.73 0.00 2.84 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.88 4.83 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.97 0.00 0.00 63 K 9.03 4.84 0.00 1.94 1.93 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.63 7.81 64 V 8.71 4.63 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 0.85 0.00 0.00 0.87 0.00 0.00 65 R 9.10 3.92 0.00 1.46 1.54 0.00 3.07 0.00 0.00 2.87 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 66 A 8.90 4.84 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 67 G 9.38 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 68 D 7.09 3.71 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 N 7.46 5.28 0.00 2.88 3.02 0.00 0.00 7.14 7.61 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 93 K 8.32 4.80 0.00 1.72 1.78 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 94 Y 8.93 5.12 0.00 3.03 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 95 M 9.27 4.85 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 96 H 9.02 5.44 0.00 3.09 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.15 4.99 0.00 1.69 1.64 0.94 0.50 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 98 K 8.97 4.60 0.00 0.82 1.31 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.80 0.21 7.81 99 V 8.52 4.90 2.17 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 0.97 0.00 0.00 0.94 0.00 0.00 100 F 8.93 5.58 0.00 3.28 2.93 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 0.00 101 K 9.36 4.31 0.00 1.89 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.28 7.81 102 S 8.19 4.02 0.00 4.08 3.72 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 102A L 8.26 4.64 0.00 1.76 1.56 0.95 1.00 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 0.00 103 P 0.00 4.12 0.00 2.05 2.06 0.00 3.71 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 2.02 2.13 0.00 104 G 8.42 3.56 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 0.00 105 Q 9.12 4.08 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 105A N 8.36 4.67 0.00 2.66 2.76 0.00 0.00 6.67 7.65 0.00 0.00 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 E 8.18 4.68 0.00 1.96 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 2.26 2.39 0.00 107 D 8.28 4.78 0.00 2.71 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 0.00 108 L 8.10 4.31 0.00 1.49 1.55 0.80 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.17 4.59 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.06 0.00 0.00 110 L 9.88 4.70 0.00 1.64 1.62 1.03 0.93 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 0.00 111 T 8.47 4.43 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 1.21 0.00 0.00 112 G 7.67 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 0.00 0.00 0.00 0.00 113 Y 8.21 5.37 0.00 2.99 2.96 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 0.00 114 Q 8.73 4.43 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 1.76 1.23 0.00 115 V 7.93 4.57 2.17 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 0.94 0.00 0.00 1.20 0.00 0.00 115A D 8.95 4.70 0.00 2.90 2.84 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 0.00 0.00 0.00 116 K 7.57 4.22 0.00 1.85 1.62 0.00 1.09 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.13 7.81 117 N 8.40 4.95 0.00 2.76 2.63 0.00 0.00 6.91 6.89 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 0.00 118 K 7.86 2.86 0.00 0.91 1.50 0.00 1.91 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.29 7.81 119 D 7.62 4.66 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.31 0.00 2.66 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 0.00 121 E 8.71 4.09 0.00 1.92 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 2.30 2.42 0.00 122 L 8.35 4.27 0.00 1.71 1.70 1.09 0.74 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 0.00 123 T 8.45 4.76 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 1.34 0.00 0.00 124 G 8.68 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 0.00 125 F 8.64 4.50 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.