NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4673 8.3193 115.2960 58.5493 64.3852 175.0028 4 S 3.9865 7.7682 115.2352 59.1208 63.5179 173.5040 5 G 4.1901 8.9294 108.8052 46.1150 0.0000 176.4314 6 I 3.7124 7.8903 120.4671 63.8464 38.2339 177.6313 7 E 4.1671 8.4073 118.0380 58.2260 29.0303 177.7845 8 I 4.4522 7.9731 113.2335 60.4617 38.1458 177.5765 9 A 4.4079 8.2693 126.3762 55.6831 18.0533 180.0658 10 K 3.8509 7.5933 115.5505 59.4002 32.2779 177.1339 11 P 4.2691 0.0000 0.0000 65.8500 31.0438 178.3804 12 F 4.0239 7.7127 117.0641 60.0931 38.8521 177.7641 13 V 3.8707 8.1446 117.9351 66.4622 31.3531 178.1855 14 T 3.9130 8.4639 115.6593 66.5862 68.2062 176.3896 15 A 3.9847 7.9370 122.4985 55.4924 18.3860 179.7854 16 T 3.7990 8.0697 114.0902 67.1064 68.5073 176.9600 17 T 4.0835 8.4740 117.9112 66.8758 68.5179 176.4850 18 N 4.3550 8.5182 118.5988 56.2373 38.3526 177.7173 19 V 3.5659 7.8324 118.6260 66.1078 31.7675 177.7647 20 L 4.1033 7.8212 117.3263 57.7445 41.6512 179.4288 21 S 4.3652 8.3352 115.1948 62.0180 62.6602 176.7513 22 T 4.0758 7.6753 112.8805 65.1003 67.8410 175.0699 *24 A 4.1741 7.9798 125.2075 50.5106 20.4401 178.3970 25 G 4.0969 8.1429 102.9780 46.6086 0.0000 174.2959 26 I 4.1001 7.4036 111.6197 59.9870 38.4351 175.3026 27 Q 3.4317 8.1079 118.9258 56.6741 25.6549 171.9641 28 P 4.8604 0.0000 0.0000 63.1158 33.0740 177.8252 29 I 4.6120 9.1811 124.3900 58.7155 39.8901 173.1230 30 P 3.5071 0.0000 0.0000 62.3653 32.1318 177.0348 31 G 3.9660 8.1243 110.0310 45.2815 0.0000 172.7129 32 Q 4.3171 8.4740 119.0394 54.8135 29.4908 174.4041 33 P 4.7995 0.0000 0.0000 63.0492 32.2862 175.1497 34 Y 4.9136 8.5509 120.0263 55.2028 42.0738 174.2099 35 V 4.1019 8.3987 121.0670 62.1435 32.2616 175.6242 36 K 4.2649 8.7465 130.9167 56.8811 31.9696 176.6375 37 K 4.4377 8.8769 125.3124 56.8789 33.9217 176.5327 38 N 4.6929 7.9755 115.5313 52.7251 39.2561 174.6129 39 N 4.7367 8.5376 116.6624 53.4304 38.1453 175.0989 40 V 4.7936 7.3289 110.7030 59.9041 36.2608 174.1221 41 A 4.7283 8.8982 125.0381 50.2253 21.1199 175.6601 42 K 4.7901 8.2455 123.9208 54.9610 34.3192 175.7245 43 G 3.9925 7.9513 112.7767 46.8164 0.0000 171.5124 44 D 5.1851 8.8970 118.1778 54.9239 43.5836 177.6110 45 V 4.7640 7.8141 117.5485 61.3410 34.9377 174.6642 46 S 5.5631 9.4009 122.6356 56.9037 67.3424 172.6950 47 A 5.3817 9.1642 122.2686 50.6791 22.9299 175.5741 48 V 5.1095 8.7674 118.4907 60.4138 35.5154 174.3796 49 V 4.6504 8.9541 122.4776 60.4227 34.7977 174.3874 50 G 4.3207 8.8778 112.3797 45.8238 0.0000 172.2339 51 I 5.4678 8.6646 114.8278 59.1043 41.3400 174.3362 52 T 5.2720 8.7860 112.9946 58.2634 72.0775 173.8102 53 G 4.1108 8.0734 110.3810 46.2943 0.0000 174.4855 54 H 4.2363 8.6191 117.1337 57.5605 28.6864 175.8123 55 K 4.7852 7.4888 117.3559 54.3496 35.7392 174.1953 56 N 5.3158 8.3524 117.7316 52.1473 41.9177 174.7581 57 G 4.6338 8.6855 106.3276 47.8202 0.0000 172.0049 58 S 5.1815 8.1130 113.7180 57.4646 66.2637 174.5911 59 I 5.1662 8.8959 125.6441 59.5340 40.1151 174.8961 60 S 5.4309 9.4391 121.1633 56.4719 67.0632 173.1974 61 V 4.8547 8.8967 119.8279 60.3310 34.6624 174.2882 62 T 4.9614 8.8445 121.3557 61.8634 71.2722 172.9627 63 F 5.2652 9.5357 126.2079 55.6686 41.6211 176.0241 64 T 4.4765 8.6999 112.8707 61.6024 69.7398 175.3217 65 K 3.8882 9.1347 123.6030 59.8941 32.1911 178.6803 66 Q 3.9700 8.1351 119.1970 59.4245 28.9503 177.8371 67 C 4.6562 8.2215 119.9308 62.0234 31.7075 175.2769 68 A 3.4677 8.2229 122.4628 55.0848 17.8145 179.6714 69 I 3.5734 7.9465 118.0975 64.4642 37.0980 178.5305 70 A 3.8696 8.1464 121.7088 54.9590 17.9196 179.8957 71 V 3.4119 7.5859 115.9595 66.0964 31.6898 178.1144 72 V 3.6380 7.3516 116.5854 65.9521 31.5601 177.8437 73 K 4.6333 8.5650 119.6333 58.7776 31.6243 179.2447 74 A 4.1143 7.7837 116.0037 53.3114 18.0333 178.1283 *76 L 4.0908 7.8054 118.1479 54.2588 43.8432 177.2708 77 G 4.0929 8.4525 110.2826 45.0143 0.0000 175.4194 78 D 4.2982 8.7364 120.1501 55.6939 39.8658 176.9643 79 D 4.6435 7.8725 118.8423 53.1444 40.9844 175.9410 80 I 4.1411 8.1111 126.2571 59.9433 37.8309 175.7563 81 Q 3.9647 8.8545 127.2921 58.6153 29.1920 176.7951 82 D 4.3560 8.2786 121.0835 52.2028 43.5421 174.9647 83 I 3.6201 8.4166 128.3439 64.2141 37.9939 177.5690 84 I 3.6623 7.7021 119.9339 64.4769 37.0485 178.0262 85 Q 3.9491 8.1868 120.1701 59.4109 28.8518 178.0655 86 D 4.3138 8.4562 120.2725 57.3777 40.7800 178.9241 87 T 3.7441 7.9844 116.3929 66.3412 68.4944 176.3460 88 K 3.8222 8.0091 121.4520 59.7825 32.2094 178.4782 89 D 4.2904 8.2813 118.7787 57.2501 40.7568 178.7574 90 A 3.8881 8.2394 121.5659 55.3105 18.4496 179.9760 91 V 3.5458 7.9142 117.0172 65.8101 31.4918 178.4291 92 G 3.5884 8.1695 105.7261 47.6908 0.0000 175.3560 93 E 3.8990 7.9935 120.7693 58.9036 29.7676 178.4217 94 V 3.7124 7.6062 117.2166 66.6560 31.6943 177.8912 95 T 4.1198 8.1183 115.2153 66.4658 68.1697 177.0966 96 N 4.5512 8.1154 115.1934 54.0857 38.3414 176.9093 *98 I 4.0395 7.6814 123.0733 61.5747 39.4545 177.8709 99 S 4.1743 8.4618 114.6085 61.4455 62.0940 176.4800 100 G 3.6024 8.2247 108.3310 48.0242 0.0000 175.7243 101 Q 3.9612 7.9866 120.0041 58.4071 28.7571 178.4167 102 A 3.8677 8.2478 122.2431 55.2261 18.3076 179.9983 103 R 3.7887 8.1091 116.4165 59.0269 30.1548 179.1511 104 A 3.9443 8.2017 120.6804 55.0557 18.1629 179.5102 105 A 3.8953 7.7256 118.0928 55.3270 18.5212 179.5434 106 L 4.0456 7.8273 116.6740 57.9532 41.7412 179.3410 107 S 4.2852 8.2080 112.5528 61.0382 62.6902 176.4243 108 E 4.3579 7.9424 122.1666 55.3268 30.2254 178.1526 *110 G 3.5912 7.7795 105.5792 45.6012 0.0000 172.1188 *112 T 4.1099 7.5638 115.2769 63.6763 70.1034 173.7633 113 F 5.1462 8.6583 123.9292 55.8310 42.5399 174.7502 114 Q 4.5783 9.2657 121.7708 54.9329 30.9426 174.7947 115 G 4.4708 8.4783 107.6150 44.5228 0.0000 173.0656 116 A 4.6948 8.7580 127.2743 51.0724 20.4204 176.5553 117 T 4.2851 8.2481 108.3530 60.9217 69.7957 173.4694 118 P 4.8388 0.0000 0.0000 62.7081 32.7194 175.5550 119 S 4.8267 8.9960 116.4643 56.7929 66.9817 173.3533 120 V 4.7960 8.4080 122.1716 61.3407 33.6012 174.7508 121 I 4.3099 8.9176 128.2055 59.2509 41.1807 174.7162 *123 G 3.8890 8.2935 110.5096 45.2568 0.0000 172.2724 124 D 4.6665 8.7674 124.7080 55.7044 41.2258 176.5252 125 G 3.8860 9.1377 111.9731 46.3903 0.0000 173.2222 126 H 4.6424 7.8469 115.4148 55.5882 29.8293 174.0882 127 T 5.2426 8.4155 108.3570 59.9128 71.7142 172.9739 128 I 4.6702 8.7005 122.8588 59.4178 41.4252 174.1808 129 S 4.9134 8.4883 123.8255 56.9731 66.1189 173.4260 130 H 4.2500 8.9570 122.2356 55.3878 29.2089 175.2967 131 V 4.1065 8.1036 124.4844 62.0715 30.9073 174.4405 132 T 4.6526 7.8492 121.7083 61.4632 69.8716 174.4354 133 K 4.1376 8.7324 128.0875 56.5745 32.0135 178.2765 134 S 4.6939 7.6552 112.8174 56.9171 64.2787 172.1752 135 P 4.3609 0.0000 0.0000 62.6616 31.7980 176.0088 136 V 4.1916 7.9734 120.1035 61.3145 33.7569 174.2234 137 I 4.4379 7.7587 128.5444 59.4606 39.0718 174.4678 138 A 4.8774 8.2651 128.4460 49.9216 22.3411 175.1562 139 I 4.7825 8.7790 121.8932 58.8145 40.6247 173.4175 140 P 4.9721 0.0000 0.0000 62.4342 33.1006 175.1436 141 F 5.0062 8.8200 119.1964 55.7338 43.1284 174.2146 142 K 4.6823 8.6884 121.6389 55.5966 34.5133 175.6286 143 T 5.1685 7.9040 111.7273 60.4481 71.9527 173.4304 144 N 4.5237 9.3622 118.4772 54.9185 39.1225 175.6351 145 H 4.8026 8.4611 116.7937 54.7633 29.5560 172.7952 146 G 4.3335 8.3323 106.3935 44.9176 0.0000 171.3597 147 E 5.3174 8.4024 116.9154 54.9198 32.7929 175.1865 148 F 5.2652 8.0839 115.1268 56.2375 42.1437 173.1327 149 T 5.0608 8.9076 115.0451 61.8863 72.6309 173.3350 150 V 4.7418 8.7337 125.6585 61.6536 33.7107 174.4588 151 E 5.2731 9.3218 126.5209 54.7077 33.6864 174.6532 152 F 5.3160 8.3995 116.6253 55.9002 41.9553 172.7451 153 C 4.9078 8.6866 113.2583 57.1115 33.3180 172.7785 154 L 5.3679 8.3002 118.9906 53.2350 45.6760 176.0853 155 E 4.3347 9.4190 120.7538 56.6396 29.9382 175.1517 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 3 S 8.32 4.47 0.00 3.86 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 4 S 7.77 3.99 0.00 4.04 3.96 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 5 G 8.93 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 0.00 0.00 0.00 0.00 6 I 7.89 3.71 1.84 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 1.38 1.32 0.93 0.00 0.00 7 E 8.41 4.17 0.00 2.20 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 2.44 2.30 0.00 8 I 7.97 4.45 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 1.00 0.00 0.00 9 A 8.27 4.41 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.59 3.85 0.00 1.99 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.34 7.81 11 P 0.00 4.27 0.00 1.76 2.08 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 12 F 7.71 4.02 0.00 3.05 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 13 V 8.14 3.87 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 1.18 0.00 0.00 1.09 0.00 0.00 14 T 8.46 3.91 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 1.22 0.00 0.00 15 A 7.94 3.98 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 16 T 8.07 3.80 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 0.99 0.00 0.00 17 T 8.47 4.08 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 18 N 8.52 4.36 0.00 2.78 2.88 0.00 0.00 6.72 8.12 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 19 V 7.83 3.57 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 0.87 0.00 0.00 0.99 0.00 0.00 20 L 7.82 4.10 0.00 1.79 1.75 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.34 4.37 0.00 4.09 3.95 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 22 T 7.68 4.08 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 *24 A 7.98 4.17 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 25 G 8.14 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.40 4.10 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 1.06 0.00 0.00 27 Q 8.11 3.43 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 28 P 0.00 4.86 0.00 2.49 2.38 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 29 I 9.18 4.61 1.88 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 1.32 1.20 0.87 0.00 0.00 30 P 0.00 3.51 0.00 1.62 0.94 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 1.82 1.87 0.00 31 G 8.12 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 0.00 0.00 0.00 32 Q 8.47 4.32 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 33 P 0.00 4.80 0.00 1.95 1.99 0.00 3.64 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 2.07 2.11 0.00 34 Y 8.55 4.91 0.00 2.89 2.94 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 35 V 8.40 4.10 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 0.71 0.00 0.00 0.88 0.00 0.00 36 K 8.75 4.26 0.00 1.69 1.63 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.49 7.81 37 K 8.88 4.44 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.38 7.81 38 N 7.98 4.69 0.00 2.75 2.76 0.00 0.00 6.91 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 39 N 8.54 4.74 0.00 2.81 2.92 0.00 0.00 5.83 7.68 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 40 V 7.33 4.79 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 0.73 0.00 0.00 0.94 0.00 0.00 41 A 8.90 4.73 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.25 4.79 0.00 1.75 1.68 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.62 7.81 43 G 7.95 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 44 D 8.90 5.19 0.00 2.68 2.74 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 0.00 45 V 7.81 4.76 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 1.04 0.00 0.00 0.93 0.00 0.00 46 S 9.40 5.56 0.00 3.86 3.83 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 0.00 0.00 0.00 47 A 9.16 5.38 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 48 V 8.77 5.11 2.08 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 0.68 0.00 0.00 0.98 0.00 0.00 49 V 8.95 4.65 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 0.84 0.00 0.00 1.00 0.00 0.00 50 G 8.88 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 51 I 8.66 5.47 1.91 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.11 0.93 0.00 0.00 52 T 8.79 5.27 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 1.27 0.00 0.00 53 G 8.07 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 54 H 8.62 4.24 0.00 3.23 3.32 0.00 5.47 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.49 4.79 0.00 1.81 1.85 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.34 7.81 56 N 8.35 5.32 0.00 2.66 2.74 0.00 0.00 7.05 7.30 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 57 G 8.69 4.63 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 0.00 0.00 0.00 58 S 8.11 5.18 0.00 3.94 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 0.00 59 I 8.90 5.17 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 1.06 0.00 0.00 60 S 9.44 5.43 0.00 3.92 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 61 V 8.90 4.85 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 1.00 0.00 0.00 0.22 0.00 0.00 62 T 8.84 4.96 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 1.24 0.00 0.00 63 F 9.54 5.27 0.00 3.04 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 64 T 8.70 4.48 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 1.34 0.00 0.00 65 K 9.13 3.89 0.00 2.00 1.89 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.52 7.81 66 Q 8.14 3.97 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 67 C 8.22 4.66 0.00 3.34 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 68 A 8.22 3.47 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.57 1.98 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 1.42 0.78 0.88 0.00 0.00 70 A 8.15 3.87 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 71 V 7.59 3.41 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 0.62 0.00 0.00 0.81 0.00 0.00 72 V 7.35 3.64 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 0.83 0.00 0.00 0.85 0.00 0.00 73 K 8.57 4.63 0.00 1.76 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 74 A 7.78 4.11 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 *76 L 7.81 4.09 0.00 1.76 1.75 0.88 0.99 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 77 G 8.45 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 0.00 0.00 0.00 78 D 8.74 4.30 0.00 2.71 2.62 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 79 D 7.87 4.64 0.00 2.64 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 80 I 8.11 4.14 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 0.94 0.00 0.00 81 Q 8.85 3.96 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 82 D 8.28 4.36 0.00 2.72 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 0.00 0.00 0.00 0.00 83 I 8.42 3.62 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.03 0.90 0.00 0.00 84 I 7.70 3.66 1.86 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 1.51 0.92 0.90 0.00 0.00 85 Q 8.19 3.95 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 86 D 8.46 4.31 0.00 2.73 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 87 T 7.98 3.74 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 1.13 0.00 0.00 88 K 8.01 3.82 0.00 1.87 1.98 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 89 D 8.28 4.29 0.00 2.69 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 90 A 8.24 3.89 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 91 V 7.91 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 1.10 0.00 0.00 0.61 0.00 0.00 92 G 8.17 3.59 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 0.00 0.00 0.00 93 E 7.99 3.90 0.00 2.02 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 0.00 2.30 2.34 0.00 94 V 7.61 3.71 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 0.87 0.00 0.00 0.93 0.00 0.00 95 T 8.12 4.12 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 1.24 0.00 0.00 96 N 8.12 4.55 0.00 2.85 2.83 0.00 0.00 7.00 6.84 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 *98 I 7.68 4.04 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.96 0.00 0.00 99 S 8.46 4.17 0.00 3.89 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 0.00 100 G 8.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.99 3.96 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 102 A 8.25 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.11 3.79 0.00 1.94 2.05 0.00 3.35 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 104 A 8.20 3.94 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.73 3.90 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 0.00 106 L 7.83 4.05 0.00 1.79 1.94 0.30 1.08 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 0.00 107 S 8.21 4.29 0.00 3.95 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 0.00 108 E 7.94 4.36 0.00 2.15 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 2.33 2.49 0.00 *110 G 7.78 3.59 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 0.00 0.00 0.00 *112 T 7.56 4.11 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 1.19 0.00 0.00 113 F 8.66 5.15 0.00 2.85 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 0.00 114 Q 9.27 4.58 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 115 G 8.48 4.47 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 0.00 116 A 8.76 4.69 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 0.00 117 T 8.25 4.29 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 1.22 0.00 0.00 118 P 0.00 4.84 0.00 1.97 2.04 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 119 S 9.00 4.83 0.00 3.72 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 0.00 120 V 8.41 4.80 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 0.84 0.00 0.00 0.93 0.00 0.00 121 I 8.92 4.31 1.77 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 1.10 0.41 0.61 0.00 0.00 *123 G 8.29 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 0.00 124 D 8.77 4.67 0.00 2.68 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 0.00 125 G 9.14 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 0.00 126 H 7.85 4.64 0.00 3.24 3.48 0.00 5.21 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.42 5.24 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 1.22 0.00 0.00 128 I 8.70 4.67 1.91 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 1.13 1.67 0.94 0.00 0.00 129 S 8.49 4.91 0.00 3.72 3.70 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 0.00 130 H 8.96 4.25 0.00 3.11 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.10 4.11 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 0.78 0.00 0.00 0.93 0.00 0.00 132 T 7.85 4.65 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 1.22 0.00 0.00 133 K 8.73 4.14 0.00 1.84 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.28 7.81 134 S 7.66 4.69 0.00 3.83 3.79 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 0.00 0.00 0.00 135 P 0.00 4.36 0.00 1.93 1.91 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 136 V 7.97 4.19 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 0.88 0.00 0.00 0.83 0.00 0.00 137 I 7.76 4.44 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.30 0.62 0.00 0.00 138 A 8.27 4.88 0.33 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 0.00 139 I 8.78 4.78 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.73 0.00 0.00 140 P 0.00 4.97 0.00 2.11 2.28 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 141 F 8.82 5.01 0.00 1.62 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 0.00 142 K 8.69 4.68 0.00 1.73 1.73 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.34 7.81 143 T 7.90 5.17 4.58 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 0.00 0.00 0.00 1.59 0.00 0.00 144 N 9.36 4.52 0.00 2.58 2.78 0.00 0.00 6.79 7.83 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 0.00 145 H 8.46 4.80 0.00 3.19 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.33 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 0.00 0.00 0.00 0.00 147 E 8.40 5.32 0.00 1.97 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 2.45 2.31 0.00 148 F 8.08 5.27 0.00 2.59 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 0.00 149 T 8.91 5.06 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 1.29 0.00 0.00 150 V 8.73 4.74 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 1.08 0.00 0.00 1.04 0.00 0.00 151 E 9.32 5.27 0.00 1.86 1.59 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 2.07 2.18 0.00 152 F 8.40 5.32 0.00 2.52 2.52 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 0.00 0.00 0.00 0.00 153 C 8.69 4.91 0.00 2.89 2.79 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 0.00 0.00 0.00 154 L 8.30 5.37 0.00 1.59 1.64 1.10 0.88 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 0.00 155 E 9.42 4.33 0.00 1.96 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 2.37 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.