NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 F 5.2042 8.3249 122.8255 58.3015 41.6349 176.3840 12 L 4.1917 7.3935 124.6606 51.7403 39.4476 174.6849 13 V 4.4636 8.8439 125.9058 60.3325 35.1910 174.4866 14 K 4.1019 8.5544 122.5177 56.2051 32.6704 177.7910 15 Q 3.8953 8.8507 123.9168 59.2432 28.6281 179.2487 16 R 4.0295 8.0149 118.2119 58.9555 30.5818 178.1143 17 A 4.7533 8.1388 121.5081 55.0157 17.9018 179.2749 18 F 4.0485 8.4062 118.7808 61.4681 39.3861 177.4123 19 L 4.3019 8.0826 118.4020 57.6507 41.4963 179.1774 20 K 3.8812 8.9692 119.3871 59.6668 32.1810 178.6412 21 L 3.9812 8.1513 120.0321 58.6942 42.0244 178.3842 22 Y 3.9759 7.7425 115.9922 61.7245 37.6221 179.0473 23 M 4.1476 8.3073 118.8509 58.1966 32.2540 178.7223 24 I 3.9740 7.7831 120.1247 64.9213 37.2195 178.4173 25 T 4.0598 7.6299 114.8946 67.0429 68.6879 175.5310 26 M 4.2781 8.1616 119.9130 57.2942 32.3435 178.1811 27 T 3.9305 8.1496 115.1329 65.0754 69.2997 175.4349 28 E 4.3412 8.1172 119.9592 57.4284 30.0571 177.7597 29 Q 3.5522 9.3668 115.4368 56.6791 27.8890 173.8142 30 E 3.8000 10.7800 114.9956 57.4570 27.2039 174.3181 31 R 4.6750 7.9502 112.8411 55.8880 30.5279 174.7911 32 L 4.4680 7.7505 122.9288 55.0414 43.0871 174.3979 33 Y 5.3110 8.4274 123.6080 56.1421 41.6656 177.0753 34 G 3.4677 9.4026 110.1031 49.2178 0.0000 173.9796 35 L 3.8906 7.8090 121.0715 57.2496 42.6428 176.9257 36 K 4.5914 7.6184 113.7862 56.5221 33.7814 178.7165 37 L 3.7556 7.6787 122.8571 57.6972 42.6633 178.6000 38 L 3.8097 7.9712 120.0656 58.0362 42.2118 178.4721 39 K 3.7786 8.1425 118.0446 59.7237 32.1200 178.7239 40 V 3.5017 7.5869 117.6911 66.3711 31.2393 178.0644 41 L 3.7694 8.0997 118.6011 57.6042 41.3379 179.2773 42 Q 3.9529 8.4300 119.8829 59.3650 28.7973 178.4517 43 S 4.0722 8.2654 112.8180 60.8922 62.4561 175.5623 44 E 3.8731 7.5282 120.3632 58.2369 29.2321 177.4930 45 F 4.9431 7.3962 114.8142 57.5154 41.3358 174.9173 46 K 4.1958 8.2222 121.9701 58.1232 31.9180 174.2611 47 E 5.0878 8.7003 133.7937 56.7733 26.7908 177.4226 48 I 4.2017 7.9132 118.0119 60.3649 37.5196 175.7922 49 G 3.9059 8.1818 107.6658 46.9479 0.0000 174.6038 50 F 4.8391 8.1919 119.1994 56.1097 41.4264 174.0322 51 K 4.1631 8.3586 130.3862 53.3453 31.9339 172.7054 52 P 4.1298 0.0000 0.0000 61.8266 32.2997 177.3520 53 N 4.6630 8.4530 120.1830 52.1557 39.7112 175.3031 54 H 4.0864 8.8558 119.3481 60.6114 29.6471 176.3618 55 T 3.9021 8.2896 115.5324 67.3609 68.2540 175.4654 56 E 3.9481 8.8842 119.5577 60.1412 29.7062 179.7167 57 V 3.4439 7.6178 117.3811 66.3444 31.5300 177.6678 58 Y 3.8447 8.1718 116.5571 60.7311 37.7348 178.7292 59 R 3.9663 8.8257 119.9402 59.5570 30.3283 178.9273 60 S 4.1185 8.0907 114.5345 61.7015 62.4260 176.7533 61 L 3.7725 7.9466 122.8822 58.5033 41.7347 178.7334 62 H 4.4402 8.5760 116.5975 58.8727 28.6013 177.6877 63 E 3.9770 8.4079 120.5814 59.3686 29.1990 179.2095 64 L 3.9489 7.8549 118.8243 57.5683 41.4659 179.7789 65 L 4.2992 7.4173 119.0795 57.3640 41.6301 178.9887 66 D 4.3864 8.2011 117.3666 56.9458 40.8078 177.7647 67 D 4.6966 8.0315 117.0245 53.6550 41.4348 177.5199 68 G 4.0281 8.2592 108.3681 45.4531 0.0000 175.0397 69 I 3.9666 7.7351 120.6214 64.1473 37.8564 175.9960 70 L 5.3214 8.2539 121.9016 52.9953 44.4449 175.6091 71 K 4.9273 9.5092 120.4868 55.1754 36.2692 174.6872 72 Q 4.8074 8.5444 118.3019 54.4912 31.2542 174.8766 73 I 4.5749 8.1720 121.1859 59.5044 41.2300 174.5620 74 K 4.8070 8.7037 126.8137 55.9123 32.8744 176.7399 75 V 4.5867 8.6262 123.6667 59.9396 35.1694 174.8665 76 K 4.3983 8.5493 121.7578 56.0178 33.2717 176.8109 *83 Q 4.3069 8.5307 121.4162 55.8899 30.5128 175.4739 84 E 3.9794 8.0355 115.6673 56.4739 30.1682 176.3057 85 V 4.5989 8.6991 124.3168 60.0047 35.8850 174.3898 86 V 4.5397 8.3189 121.4341 61.6462 32.7565 174.5458 87 L 4.7910 9.0181 130.7779 54.1377 44.2214 174.4841 88 Y 5.0135 8.0749 120.9240 56.4202 40.3279 175.1694 89 Q 4.4456 8.7845 120.7673 53.7894 34.1094 174.2570 90 F 4.8739 8.5197 119.6847 58.0210 38.8968 175.3461 91 K 4.3653 9.4213 124.7839 57.4777 34.1045 176.3163 92 D 4.7441 8.0071 118.9120 51.4797 42.1315 174.0221 93 Y 3.8707 8.5594 124.8986 60.2728 38.9813 176.8840 94 E 3.7336 8.3285 118.5797 59.6509 29.5838 179.2489 95 A 3.9785 8.1803 119.9753 54.7950 18.3253 179.5905 96 A 3.8940 7.6361 119.1643 55.2351 18.6165 179.6182 97 K 3.4888 7.8588 118.5023 59.4829 32.0903 178.6779 98 L 3.8947 7.8237 120.4763 58.1704 42.0136 178.3319 99 Y 3.9992 8.0002 119.4443 60.6786 38.6477 177.7370 100 K 3.7317 8.4033 119.8681 59.8253 32.2951 179.2832 101 K 3.9318 7.7683 117.8192 59.4970 31.8985 179.5303 102 Q 3.9348 7.8572 118.4118 58.8414 28.6258 178.6228 103 L 3.8723 7.7180 119.5799 56.7374 41.5419 179.3584 104 K 3.8092 7.4975 120.3423 59.4799 32.2295 178.7101 105 V 3.5544 7.5276 117.9454 66.1070 31.3387 177.9335 106 E 3.8726 8.2380 118.0291 59.5489 29.3153 179.2279 107 L 4.0577 7.9329 118.9197 57.9620 41.6096 179.5255 108 D 4.2961 8.1897 118.7829 57.2331 40.6941 178.7527 109 R 3.8464 7.9641 119.1759 59.5469 30.1086 178.1624 110 C 3.9403 8.3752 116.9202 62.7012 28.1647 175.8466 111 K 3.7793 8.1892 121.2237 59.6350 31.7999 178.3931 112 K 3.8516 8.1108 119.6468 59.6041 32.1391 178.4235 113 L 3.9889 8.1119 120.6394 58.2145 41.9969 178.9928 114 I 3.7684 8.2271 120.2377 64.2494 36.8589 178.3669 115 E 3.9476 8.3502 119.5740 59.3679 29.2402 178.6857 116 K 4.0517 7.9383 118.8322 59.5999 32.2117 178.0642 117 A 4.1016 8.0354 120.2182 55.4896 18.1226 179.6094 118 L 4.1504 7.8138 115.5858 58.1783 42.1787 179.4962 119 S 4.3084 8.9927 114.1638 61.6123 62.1369 175.9467 120 D 4.4597 8.9086 121.3111 56.5803 40.6671 177.4485 121 N 4.5593 7.7577 113.4204 52.9677 39.0995 175.0815 122 F 4.4329 7.6444 124.0976 57.8446 40.3776 174.0982 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 11 F 8.32 5.20 0.00 2.86 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 0.00 0.00 0.00 0.00 12 L 7.39 4.19 0.00 1.11 0.31 0.53 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.84 4.46 2.11 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 0.71 0.00 0.00 1.00 0.00 0.00 14 K 8.55 4.10 0.00 1.89 1.82 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.45 7.81 15 Q 8.85 3.90 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 16 R 8.01 4.03 0.00 1.96 2.01 0.00 3.30 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 17 A 8.14 4.75 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 18 F 8.41 4.05 0.00 3.26 3.17 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 0.00 19 L 8.08 4.30 0.00 1.94 1.80 1.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.97 3.88 0.00 2.22 1.97 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 21 L 8.15 3.98 0.00 1.70 1.71 0.79 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.74 3.98 0.00 3.31 3.06 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 0.00 0.00 0.00 0.00 23 M 8.31 4.15 0.00 1.88 2.36 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.48 0.00 24 I 7.78 3.97 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.06 1.18 0.00 0.00 25 T 7.63 4.06 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 1.22 0.00 0.00 26 M 8.16 4.28 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.55 0.00 27 T 8.15 3.93 3.74 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 0.40 0.00 0.00 28 E 8.12 4.34 0.00 2.30 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 2.73 2.94 0.00 29 Q 9.37 3.55 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 30 E 10.78 3.80 0.00 2.13 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 2.20 2.19 0.00 31 R 7.95 4.68 0.00 1.86 2.00 0.00 3.08 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 32 L 7.75 4.47 0.00 1.76 1.52 0.75 0.73 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 33 Y 8.43 5.31 0.00 3.04 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 34 G 9.40 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.81 3.89 0.00 1.61 1.65 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.62 4.59 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 37 L 7.68 3.76 0.00 2.08 1.72 0.82 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.97 3.81 0.00 1.83 1.72 0.90 0.79 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 39 K 8.14 3.78 0.00 2.07 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.54 7.81 40 V 7.59 3.50 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 0.99 0.00 0.00 0.94 0.00 0.00 41 L 8.10 3.77 0.00 1.76 1.68 0.86 1.06 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 42 Q 8.43 3.95 0.00 2.35 2.10 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 2.32 2.35 0.00 43 S 8.27 4.07 0.00 3.81 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 44 E 7.53 3.87 0.00 1.39 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 2.11 2.17 0.00 45 F 7.40 4.94 0.00 3.18 3.12 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 46 K 8.22 4.20 0.00 1.95 1.75 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 47 E 8.70 5.09 0.00 2.09 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 0.00 2.11 2.09 0.00 48 I 7.91 4.20 2.01 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 1.62 1.17 0.97 0.00 0.00 49 G 8.18 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 50 F 8.19 4.84 0.00 2.67 2.87 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 0.00 0.00 0.00 51 K 8.36 4.16 0.00 1.67 1.64 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.30 7.81 52 P 0.00 4.13 0.00 2.05 1.60 0.00 3.50 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 53 N 8.45 4.66 0.00 3.04 3.01 0.00 0.00 5.87 7.90 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 54 H 8.86 4.09 0.00 3.36 3.42 0.00 5.91 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 55 T 8.29 3.90 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 1.27 0.00 0.00 56 E 8.88 3.95 0.00 2.15 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 2.53 2.72 0.00 57 V 7.62 3.44 1.86 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 0.57 0.00 0.00 0.89 0.00 0.00 58 Y 8.17 3.84 0.00 3.05 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 59 R 8.83 3.97 0.00 2.05 2.03 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 60 S 8.09 4.12 0.00 4.12 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 61 L 7.95 3.77 0.00 1.47 1.46 -0.26 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.58 4.44 0.00 3.27 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.41 3.98 0.00 2.25 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 2.34 2.46 0.00 64 L 7.85 3.95 0.00 1.83 1.68 0.85 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.42 4.30 0.00 2.00 1.78 1.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.20 4.39 0.00 2.78 2.76 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 0.00 0.00 0.00 67 D 8.03 4.70 0.00 2.64 2.63 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 68 G 8.26 4.03 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 0.00 0.00 0.00 69 I 7.74 3.97 1.95 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 1.01 0.00 0.00 70 L 8.25 5.32 0.00 1.65 1.72 0.73 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.51 4.93 0.00 1.75 1.91 0.00 1.28 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.34 7.81 72 Q 8.54 4.81 0.00 1.51 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 73 I 8.17 4.57 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.10 0.88 0.00 0.00 74 K 8.70 4.81 0.00 1.62 1.73 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 75 V 8.63 4.59 2.11 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 0.80 0.00 0.00 0.96 0.00 0.00 76 K 8.55 4.40 0.00 1.74 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.51 7.81 *83 Q 8.53 4.31 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 84 E 8.04 3.98 0.00 1.91 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 2.30 2.34 0.00 85 V 8.70 4.60 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 0.75 0.00 0.00 0.96 0.00 0.00 86 V 8.32 4.54 2.11 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 0.55 0.00 0.00 0.90 0.00 0.00 87 L 9.02 4.79 0.00 1.82 1.55 0.35 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.07 5.01 0.00 2.77 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 89 Q 8.78 4.45 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 90 F 8.52 4.87 0.00 3.06 3.09 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 91 K 9.42 4.37 0.00 1.76 2.20 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.40 7.81 92 D 8.01 4.74 0.00 2.73 2.63 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 93 Y 8.56 3.87 0.00 2.80 2.87 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 0.00 0.00 0.00 94 E 8.33 3.73 0.00 2.15 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 2.42 2.34 0.00 95 A 8.18 3.98 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 0.00 0.00 0.00 0.00 0.00 96 A 7.64 3.89 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 97 K 7.86 3.49 0.00 1.13 1.65 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.25 7.81 98 L 7.82 3.89 0.00 1.88 1.80 0.91 0.68 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 99 Y 8.00 4.00 0.00 3.19 3.07 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 0.00 100 K 8.40 3.73 0.00 1.90 1.80 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.52 7.81 101 K 7.77 3.93 0.00 2.03 1.79 0.00 1.50 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.47 7.81 102 Q 7.86 3.93 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 103 L 7.72 3.87 0.00 1.44 1.50 0.85 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.50 3.81 0.00 1.89 1.79 0.00 1.74 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.53 7.81 105 V 7.53 3.55 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 0.94 0.00 0.00 0.89 0.00 0.00 106 E 8.24 3.87 0.00 2.11 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 2.28 2.44 0.00 107 L 7.93 4.06 0.00 1.86 1.71 0.83 1.09 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 0.00 108 D 8.19 4.30 0.00 2.88 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 R 7.96 3.85 0.00 2.06 2.00 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 110 C 8.38 3.94 0.00 3.07 2.88 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 0.00 0.00 0.00 111 K 8.19 3.78 0.00 1.89 1.96 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.45 7.81 112 K 8.11 3.85 0.00 2.02 1.79 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 113 L 8.11 3.99 0.00 1.83 1.85 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.23 3.77 1.95 0.00 0.00 0.78 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 0.45 0.89 0.00 0.00 115 E 8.35 3.95 0.00 2.18 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 2.33 2.31 0.00 116 K 7.94 4.05 0.00 1.97 1.96 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.49 7.81 117 A 8.04 4.10 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 0.00 0.00 0.00 0.00 0.00 118 L 7.81 4.15 0.00 1.90 1.79 0.90 0.61 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 0.00 119 S 8.99 4.31 0.00 3.83 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 0.00 120 D 8.91 4.46 0.00 2.65 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 0.00 121 N 7.76 4.56 0.00 2.40 1.95 0.00 0.00 6.81 7.67 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 0.00 122 F 7.64 4.43 0.00 3.36 2.87 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.