NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3358 8.1233 122.4742 52.1300 20.7417 175.0383 3 T 4.6587 8.1225 115.8479 61.4814 70.6666 172.1261 4 Y 4.3423 9.6192 125.5256 56.2732 40.8952 174.1876 5 Y 5.0956 8.7855 122.2726 56.8679 40.5537 174.2829 6 Y 6.1298 8.6997 119.0558 56.7563 42.1328 173.2840 7 I 4.9058 8.7115 112.9849 59.2719 41.3111 173.9135 8 L 5.4622 9.3546 125.2476 53.7825 45.6333 174.9714 9 A 4.9258 8.7177 125.7421 50.8947 23.4468 175.8470 10 S 4.7513 8.5857 113.6273 58.0973 64.0232 175.7429 11 K 4.0165 9.0656 122.6401 59.4095 31.6885 179.5529 12 K 3.8510 8.1086 119.4986 59.6247 32.1370 178.3272 13 F 4.1289 8.4268 120.7153 61.4512 39.1515 177.0964 14 L 4.0457 7.9012 117.0004 57.1670 41.4391 178.7122 15 T 4.2482 7.7226 108.8088 63.1993 69.5243 176.0251 16 E 4.3816 8.1465 119.4202 56.5092 30.5694 176.4770 17 E 4.4175 7.6724 115.8917 55.9863 30.6209 175.6896 18 E 4.6129 7.4113 117.5273 53.1354 34.1277 174.5990 19 P 4.6316 0.0000 0.0000 61.9398 29.0188 177.2268 20 L 4.0903 7.7294 122.3806 59.1663 42.4359 177.2878 21 E 4.0309 8.2353 118.5751 59.4217 29.6124 178.2749 22 E 3.9947 8.2546 118.8561 59.1079 29.8763 178.6413 23 V 3.6618 7.9841 118.3835 66.1513 31.5658 178.1154 24 F 4.0516 8.5210 117.3384 60.7026 38.8610 177.9853 25 R 4.0381 8.5666 118.1129 59.2789 29.8765 178.8104 26 E 3.9696 8.4874 119.3049 59.2045 29.5699 178.8559 27 R 3.7656 7.8234 118.4714 59.4122 30.0375 178.5334 28 Q 4.1238 8.5792 118.2954 59.0028 28.7002 179.0093 29 R 3.9613 8.1996 119.0941 59.5566 30.2533 178.5791 30 H 4.1315 8.7730 118.4254 59.5023 29.7712 176.8414 31 Y 3.9709 8.6679 118.9629 61.2724 37.2060 178.9298 32 R 4.0125 8.2944 118.7076 58.8246 29.9126 178.6242 33 E 3.9957 8.1453 119.1118 58.3387 29.7614 177.2194 34 Q 4.2321 7.6488 115.2055 55.0913 29.6465 176.1737 35 G 3.8065 7.5868 104.9556 45.9746 0.0000 173.0757 36 K 4.3692 7.8862 120.3895 53.9644 33.4319 175.9772 37 E 4.1824 8.5507 126.4527 55.8425 30.2893 176.4308 38 I 3.7607 8.3740 127.0263 61.5956 37.8074 175.5801 39 D 4.4132 8.2779 124.3726 52.2458 40.0137 174.5402 40 F 4.8143 5.7828 112.7625 55.5846 40.7989 173.6602 41 W 5.5470 9.8887 120.5721 55.2287 34.0037 173.5023 42 L 4.8319 8.7842 124.8028 54.4357 42.8971 176.5757 43 V 4.5085 9.3503 126.2540 60.1749 32.9413 172.3667 44 P 4.5252 0.0000 0.0000 62.4317 32.4054 176.1791 45 E 3.6657 8.7567 120.2029 56.4472 27.8279 173.6323 46 P 4.5264 0.0000 0.0000 62.9124 32.4447 178.0323 47 A 3.9693 8.7980 124.6607 54.8920 18.2468 179.8278 48 F 3.8900 7.8548 112.9486 59.8980 37.4585 177.1512 49 L 3.4638 5.6739 118.1402 57.1371 41.7510 178.1064 50 E 4.1328 7.6716 116.9427 57.3398 30.2195 177.0571 51 Q 4.2655 7.7537 118.9050 54.8721 29.9004 175.0909 52 P 4.2783 0.0000 0.0000 65.9072 31.4404 178.7615 53 Q 3.8927 8.0714 113.7276 58.5746 28.5782 177.5586 54 F 4.8191 8.2632 116.3309 57.1590 39.1807 176.9805 55 A 4.0445 8.0055 123.9590 55.5179 18.1096 180.0686 56 E 3.9034 8.2269 116.8230 59.8566 29.7811 179.0549 57 Q 4.1385 8.2062 117.4153 58.6097 28.6057 178.4297 58 K 3.9177 8.0999 120.0197 59.5325 32.3511 178.5441 59 A 4.1310 8.0274 119.8084 54.6139 18.3000 179.2445 60 R 4.1281 7.6082 116.7149 58.1177 30.5324 176.5396 61 C 4.2875 7.9563 119.5628 58.0900 31.9595 171.4203 62 P 4.4089 0.0000 0.0000 62.8273 31.6192 175.6192 63 Q 4.8114 8.1851 120.0165 53.1804 31.4076 173.8484 64 P 4.5210 0.0000 0.0000 63.0254 32.8970 175.1709 65 A 5.2273 8.4532 122.5430 50.6558 22.6619 174.8520 66 A 4.9629 9.0764 119.1849 50.7661 23.1698 175.4211 67 A 5.3807 9.1329 121.0492 50.2236 23.3366 175.2508 68 I 5.2052 8.7627 120.3313 59.8645 39.9477 174.9240 69 I 5.4183 9.2946 128.3597 59.9928 40.4816 174.7672 70 S 5.5889 9.7453 119.0192 58.2135 65.9306 174.7022 71 T 4.4044 8.8574 114.5308 62.4258 69.3487 174.2129 72 N 4.6991 8.3659 122.7147 52.0657 38.5494 174.6313 73 Q 3.4727 8.3117 127.8217 58.8474 28.9515 177.8266 74 Q 4.1145 8.0584 118.2180 59.2998 28.5103 178.3557 75 F 4.3307 7.9485 121.5577 61.1795 39.4041 177.2553 76 I 3.5267 7.7173 118.9399 64.4515 37.0419 178.3069 77 Q 3.9538 8.4669 119.3052 58.4050 28.3743 178.8074 78 W 4.0796 8.1957 129.6084 60.4396 30.7661 178.0315 79 L 3.3471 7.7621 118.9711 57.3284 40.8930 179.4401 80 K 3.7784 7.9690 119.4420 59.5499 31.9684 178.8583 81 L 3.8372 7.4626 117.6539 57.8352 41.5890 179.4430 82 R 3.8911 7.4327 116.8653 58.7745 30.1162 178.5754 83 L 4.1013 7.8892 118.2001 55.3125 41.8302 177.5603 84 E 3.8731 8.0482 122.2101 57.7754 28.7354 175.8767 85 Y 4.4452 7.0384 114.1337 57.6792 37.4872 175.1891 86 V 4.4309 7.0119 110.8787 59.8335 36.5580 175.5994 87 L 4.4984 8.6275 121.9647 53.7202 44.9324 174.9066 *89 G 3.6227 8.4627 105.5240 47.4452 0.0000 171.4878 90 Q 5.2506 8.4985 115.9329 55.7024 31.5030 173.0600 91 F 5.2193 8.4469 114.1554 56.6613 41.7750 172.7770 92 T 5.3085 9.1688 109.8108 59.6555 71.2027 175.6928 93 S 4.2888 9.1026 117.3179 61.2607 63.1017 176.2877 94 E 4.1068 7.8390 116.5367 57.9685 29.7747 177.3859 95 E 4.2682 8.3148 118.8510 57.1058 30.3574 176.1906 96 V 4.3509 7.1776 117.8393 60.2266 33.2240 172.8874 97 P 4.3944 0.0000 0.0000 65.3907 31.4018 177.1264 98 N 4.8092 7.5375 118.1048 49.7378 39.1410 172.9386 99 P 4.0125 0.0000 0.0000 65.3601 31.5235 177.4596 100 L 4.4027 7.4366 113.5326 54.2479 41.8694 176.3568 101 A 4.0659 7.8764 122.7665 52.3366 19.1824 177.0585 102 S 4.9274 8.6055 116.6486 56.3633 64.8559 173.4769 103 L 4.6436 8.6150 125.2585 54.3595 42.1213 176.8278 104 A 4.2687 7.8849 122.9026 52.4214 18.7218 178.2009 105 S 4.6197 8.5293 113.5984 57.6821 64.9829 174.1932 106 V 4.2456 7.5885 120.7039 60.7940 32.9924 174.1516 107 L 4.3781 8.2539 128.7343 53.4041 42.9084 175.7796 108 E 4.1002 8.7827 125.6866 56.5966 29.5160 176.1494 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 8.12 4.34 1.15 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 0.00 0.00 3 T 8.12 4.66 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 0.65 0.00 0.00 4 Y 9.62 4.34 0.00 1.43 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 0.00 0.00 0.00 0.00 5 Y 8.79 5.10 0.00 3.02 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 6 Y 8.70 6.13 0.00 3.35 3.13 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 0.00 0.00 0.00 0.00 7 I 8.71 4.91 1.94 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 1.33 0.91 0.88 0.00 0.00 8 L 9.35 5.46 0.00 2.09 1.75 0.96 1.48 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 9 A 8.72 4.93 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 10 S 8.59 4.75 0.00 4.06 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 11 K 9.07 4.02 0.00 1.79 1.93 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.67 7.81 12 K 8.11 3.85 0.00 1.85 1.88 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.53 7.81 13 F 8.43 4.13 0.00 3.13 3.22 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 14 L 7.90 4.05 0.00 1.72 1.80 1.08 1.59 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 15 T 7.72 4.25 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 1.30 0.00 0.00 16 E 8.15 4.38 0.00 1.91 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 2.25 2.56 0.00 17 E 7.67 4.42 0.00 1.18 1.66 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 2.11 2.35 0.00 18 E 7.41 4.61 0.00 1.77 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 1.56 2.03 0.00 19 P 0.00 4.63 0.00 2.31 2.25 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 20 L 7.73 4.09 0.00 1.86 1.80 1.12 1.12 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 21 E 8.24 4.03 0.00 2.12 1.99 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 2.44 2.42 0.00 22 E 8.25 3.99 0.00 2.18 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 0.00 2.42 2.48 0.00 23 V 7.98 3.66 2.48 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 1.18 0.00 0.00 1.19 0.00 0.00 24 F 8.52 4.05 0.00 3.43 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 25 R 8.57 4.04 0.00 1.97 2.05 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 26 E 8.49 3.97 0.00 2.07 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 2.44 0.00 27 R 7.82 3.77 0.00 1.55 1.35 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 28 Q 8.58 4.12 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.92 0.00 29 R 8.20 3.96 0.00 2.09 2.02 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 30 H 8.77 4.13 0.00 3.47 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.67 3.97 0.00 3.30 3.22 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 32 R 8.29 4.01 0.00 2.05 2.01 0.00 3.27 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 33 E 8.15 4.00 0.00 2.03 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 2.27 2.25 0.00 34 Q 7.65 4.23 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 35 G 7.59 3.81 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 0.00 0.00 0.00 36 K 7.89 4.37 0.00 1.44 1.25 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.14 1.24 7.81 37 E 8.55 4.18 0.00 2.03 1.91 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 2.41 2.42 0.00 38 I 8.37 3.76 1.72 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 1.12 0.63 -0.22 0.00 0.00 39 D 8.28 4.41 0.00 2.70 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 40 F 5.78 4.81 0.00 2.87 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 41 W 9.89 5.55 0.00 3.41 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 42 L 8.78 4.83 0.00 0.94 1.38 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.35 4.51 2.24 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 1.03 0.00 0.00 1.11 0.00 0.00 44 P 0.00 4.53 0.00 2.10 2.03 0.00 3.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 45 E 8.76 3.67 0.00 2.08 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 2.21 2.19 0.00 46 P 0.00 4.53 0.00 1.48 2.14 0.00 3.55 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 47 A 8.80 3.97 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 48 F 7.85 3.89 0.00 2.38 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 49 L 5.67 3.46 0.00 0.65 1.37 0.81 0.77 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 50 E 7.67 4.13 0.00 2.06 1.94 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 2.20 2.40 0.00 51 Q 7.75 4.27 0.00 2.57 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 52 P 0.00 4.28 0.00 2.16 2.13 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 Q 8.07 3.89 0.00 1.61 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.28 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 54 F 8.26 4.82 0.00 3.15 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 55 A 8.01 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 3.90 0.00 2.06 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 2.41 2.39 0.00 57 Q 8.21 4.14 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 58 K 8.10 3.92 0.00 1.89 2.07 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.50 7.81 59 A 8.03 4.13 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 60 R 7.61 4.13 0.00 1.99 2.11 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 61 C 7.96 4.29 0.00 2.97 2.91 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 62 P 0.00 4.41 0.00 2.09 1.97 0.00 3.69 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 2.01 2.10 0.00 63 Q 8.19 4.81 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 64 P 0.00 4.52 0.00 2.10 2.16 0.00 3.66 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 2.08 1.97 0.00 65 A 8.45 5.23 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 66 A 9.08 4.96 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 67 A 9.13 5.38 1.44 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 68 I 8.76 5.21 2.09 0.00 0.00 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 1.74 0.95 1.26 0.00 0.00 69 I 9.29 5.42 2.37 0.00 0.00 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 1.45 1.20 1.34 0.00 0.00 70 S 9.75 5.59 0.00 4.17 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 71 T 8.86 4.40 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 1.05 0.00 0.00 72 N 8.37 4.70 0.00 3.04 2.84 0.00 0.00 6.73 6.58 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 73 Q 8.31 3.47 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.67 0.00 0.00 0.00 0.00 0.00 2.32 1.76 0.00 74 Q 8.06 4.11 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.69 2.32 0.00 75 F 7.95 4.33 0.00 2.99 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 76 I 7.72 3.53 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.94 0.88 0.00 0.00 77 Q 8.47 3.95 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 78 W 8.20 4.08 0.00 3.42 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 79 L 7.76 3.35 0.00 1.67 1.50 0.37 0.71 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 80 K 7.97 3.78 0.00 1.78 1.89 0.00 1.44 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.43 7.81 81 L 7.46 3.84 0.00 1.53 1.61 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.43 3.89 0.00 1.00 1.53 0.00 3.33 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.00 83 L 7.89 4.10 0.00 1.72 1.89 0.70 0.90 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 84 E 8.05 3.87 0.00 1.40 1.42 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 2.03 2.10 0.00 85 Y 7.04 4.45 0.00 2.40 2.56 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 86 V 7.01 4.43 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 0.74 0.00 0.00 0.90 0.00 0.00 87 L 8.63 4.50 0.00 1.68 1.74 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *89 G 8.46 3.62 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 0.00 0.00 0.00 90 Q 8.50 5.25 0.00 1.74 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 91 F 8.45 5.22 0.00 3.40 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 92 T 9.17 5.31 4.50 0.00 0.00 0.00 0.00 0.00 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 93 S 9.10 4.29 0.00 4.16 4.45 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 94 E 7.84 4.11 0.00 2.20 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 2.37 2.47 0.00 95 E 8.31 4.27 0.00 2.28 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 2.34 2.32 0.00 96 V 7.18 4.35 1.72 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 0.51 0.00 0.00 0.37 0.00 0.00 97 P 0.00 4.39 0.00 2.03 2.10 0.00 3.62 0.00 0.00 3.78 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 98 N 7.54 4.81 0.00 2.69 2.62 0.00 0.00 6.99 8.03 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 99 P 0.00 4.01 0.00 1.26 1.09 0.00 3.47 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.09 0.00 100 L 7.44 4.40 0.00 1.36 1.48 -0.50 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.88 4.07 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 0.00 102 S 8.61 4.93 0.00 3.84 3.69 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 0.00 103 L 8.61 4.64 0.00 1.47 1.61 0.84 0.61 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 0.00 104 A 7.88 4.27 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 0.00 105 S 8.53 4.62 0.00 3.93 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 0.00 106 V 7.59 4.25 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 0.80 0.00 0.00 0.92 0.00 0.00 107 L 8.25 4.38 0.00 1.61 1.55 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.78 4.10 0.00 1.95 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 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.