NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3841 8.1233 123.5860 52.3161 21.5459 178.8603 10 N 4.1746 8.0089 110.7316 55.7360 38.9869 176.2106 11 S 4.3516 8.8588 117.2226 61.6083 63.2948 176.5870 12 T 3.8784 7.7901 118.2534 66.5647 68.2885 176.6602 13 V 3.3091 7.5043 119.5702 66.0340 31.5853 177.8470 14 L 3.8212 8.3360 119.0318 57.8940 41.2298 179.7589 15 S 4.0452 8.1081 112.9320 61.2503 62.1847 175.7445 16 F 4.3438 8.0074 122.0206 61.7834 39.3847 176.6620 17 C 3.8574 8.2641 115.9196 62.4358 27.6834 175.5219 18 A 3.6800 7.7503 122.7623 55.4247 17.7272 178.5723 19 F 4.5031 7.2326 110.1403 57.8375 39.3848 176.3284 20 A 4.1578 7.6259 125.0047 51.7517 18.7149 179.3845 21 V 3.6254 8.1776 113.2715 63.7471 32.0577 176.9277 22 D 4.6040 7.4779 115.5531 50.5375 42.1110 173.5014 23 P 4.1432 0.0000 0.0000 65.3815 31.5261 177.4520 24 A 3.9857 8.1494 118.6180 55.5585 18.1857 179.5380 25 K 3.9415 8.9315 117.9003 59.3684 32.1330 178.9828 26 A 4.1214 7.9922 121.4451 55.1310 18.2109 179.0139 27 Y 4.2567 8.5098 118.5093 60.7515 38.9078 177.7178 28 K 3.7390 8.3276 120.7648 59.9057 32.2408 178.2946 29 D 4.3273 8.3586 118.8347 57.4487 40.7580 177.8808 30 Y 4.1299 8.4384 120.4097 60.9530 38.7151 178.4948 31 L 3.5114 8.1099 119.7400 57.5655 41.4541 179.1449 32 A 4.0379 7.6953 119.6791 55.2083 18.2345 178.8736 33 S 4.4514 7.6310 111.0649 58.4729 62.9482 175.3599 34 G 3.7593 8.1391 110.2306 44.9483 0.0000 174.5878 35 G 2.4330 6.9765 108.1801 44.9840 0.0000 173.4717 36 Q 4.0583 8.3930 123.2449 54.6932 29.6629 174.3655 37 P 4.6034 0.0000 0.0000 62.6008 32.0469 176.0124 38 I 4.0474 8.7236 122.7337 61.6372 37.2970 176.0434 39 T 4.5429 8.9584 116.0220 60.5848 71.4555 172.6949 40 N 4.2936 8.0987 113.4028 54.5524 35.3022 174.6646 41 C 4.6767 7.7866 114.3132 58.0688 30.4123 174.6684 42 V 3.8710 8.4302 118.1658 61.4371 32.3429 174.8968 43 K 4.6015 8.5078 126.5294 54.6248 33.6234 175.4982 44 M 4.1821 8.9757 128.5361 55.1458 32.7940 176.4393 45 L 4.2266 8.4604 125.7473 53.9093 41.5620 174.5073 46 C 5.0575 7.9295 121.1039 56.3744 34.3246 173.5150 47 T 3.9188 8.6162 121.6612 65.4339 65.8445 176.1175 *49 T 4.1601 9.1197 115.7762 61.8231 70.5373 174.4104 50 G 3.9993 8.3194 112.4829 44.5374 0.0000 174.4574 51 T 3.8239 8.7259 109.4871 63.0436 68.5751 175.8185 52 G 4.4622 8.3404 109.4851 45.1171 0.0000 173.6397 53 Q 4.1249 7.6187 117.9061 55.3506 29.1162 175.7380 54 A 3.7187 8.0739 122.5939 54.4958 18.4301 176.8730 55 I 5.0596 7.2645 113.8690 59.5547 40.1701 174.6338 56 T 4.7863 8.7295 115.7764 60.2141 72.6364 174.8801 57 V 4.1006 8.5936 113.8034 62.2140 31.8663 176.3576 58 T 4.3578 7.7375 107.9546 59.5480 70.8680 171.3954 59 P 4.1349 0.0000 0.0000 63.8512 31.6892 175.9176 60 E 4.6281 10.0921 121.1869 55.6888 31.3453 175.6543 61 A 4.5221 7.7701 122.8736 52.5646 19.0961 177.0849 62 N 5.3374 8.3432 115.7652 50.5719 40.5389 175.3590 63 M 4.0725 8.5360 117.8889 57.9951 32.3055 177.3094 64 D 4.9380 9.1212 117.8347 53.8259 41.8390 174.8569 65 Q 5.2805 8.7540 119.1594 54.4099 33.7680 173.5734 66 E 4.9470 8.8044 117.0839 55.0586 34.2531 175.1466 67 S 5.3710 8.3520 117.9896 57.0106 65.4423 173.2607 68 F 5.3207 9.5104 123.0525 55.1950 43.4379 174.6829 69 G 3.7781 9.2215 108.9534 46.5962 0.0000 174.5331 70 G 3.9993 9.2027 113.4988 48.1292 0.0000 175.0323 71 A 3.9638 8.0091 122.8555 54.9411 18.1919 179.5717 72 S 4.0778 7.7036 111.5600 61.3472 63.0663 175.8118 73 C 4.6960 8.2429 117.3935 58.5374 28.7597 172.4257 74 C 4.5770 7.8756 122.2158 55.3488 40.8247 173.0949 75 L 3.5476 8.2394 130.3859 58.5609 41.4987 178.3838 76 Y 3.9109 7.0527 115.7099 61.2620 37.6533 179.0097 77 C 4.1520 8.1107 115.7567 60.2118 40.3412 176.0196 78 R 3.8163 7.8138 119.0113 59.0470 29.8102 178.2631 79 C 4.0823 8.1194 115.0184 59.7624 29.6586 172.4582 80 H 3.9283 8.4694 117.1837 55.5922 25.0593 173.3050 81 I 4.5381 6.9769 111.7338 59.0221 40.9159 174.8941 82 D 4.1606 8.3299 121.1282 54.6993 41.2462 175.4886 83 H 4.2414 7.5320 116.5694 53.1398 31.8366 172.7800 84 P 4.1641 0.0000 0.0000 66.8347 31.0627 178.3648 85 N 3.1405 6.4603 109.3865 54.6942 39.7507 174.0693 *89 F 4.5842 7.7225 120.2567 57.1148 40.8758 174.9213 90 C 3.8744 7.8992 118.5229 59.1966 29.4435 173.2321 91 D 4.8955 8.6124 120.1697 53.3583 39.6569 176.8402 92 L 4.4579 7.7071 121.7256 56.1078 43.5264 176.9468 93 K 3.8454 7.9911 118.8620 58.1102 32.1794 176.7412 94 G 3.8193 8.8601 113.2161 45.4850 0.0000 172.1941 95 K 4.5958 8.0026 119.1337 54.4382 36.4686 174.0940 96 Y 5.0459 9.0302 117.7414 56.5682 41.2929 175.3316 97 V 4.7718 8.9800 124.7840 61.9975 33.4973 174.3851 98 Q 5.3066 9.1785 127.3737 54.5399 30.6215 175.2077 99 I 4.1393 8.5929 124.2419 58.3475 41.3453 173.1110 100 P 4.5600 0.0000 0.0000 63.5163 31.6507 177.2716 101 T 3.7491 8.9777 121.5533 67.1044 68.6151 176.2044 102 T 4.0740 7.9050 109.2690 63.6446 69.2271 174.4596 103 C 4.7654 8.6570 118.8861 59.1771 29.4213 175.3027 104 A 4.1766 7.6173 123.9356 54.1313 17.9619 178.8710 105 N 4.5514 7.9984 112.2426 54.5827 38.7742 174.9025 106 D 4.7954 7.9450 118.3064 51.0234 41.4967 173.4621 107 P 3.9949 0.0000 0.0000 65.6112 31.6965 178.3508 108 V 3.9775 7.1526 117.7195 65.5455 31.3577 178.2088 109 G 4.1068 8.3013 106.0137 46.8149 0.0000 175.3850 110 F 3.6937 8.3122 123.4742 61.4288 39.2421 177.3724 111 T 3.9053 7.6778 107.7258 64.5579 68.3765 176.1548 112 L 4.1390 7.0634 120.7604 57.9800 41.8997 179.3152 113 R 4.0033 7.8375 116.4128 57.4367 30.1627 176.6941 114 N 4.8447 6.8859 114.6476 51.7915 40.8597 173.9424 115 T 4.9588 8.2781 115.3453 61.9677 72.3614 173.2618 116 V 4.3537 8.2879 124.4936 61.3399 32.7978 175.1594 117 C 4.2654 9.1414 129.5305 60.3347 31.8920 174.5603 118 T 4.1524 8.6469 115.1589 63.2791 69.3971 176.0723 119 V 3.8462 7.8645 121.6248 64.7859 31.8611 176.0668 120 C 4.4843 8.0129 111.1557 57.2473 31.0479 174.4598 121 G 3.7871 8.1614 108.6282 46.0998 0.0000 172.7364 122 M 4.7853 7.3636 118.1004 52.1638 35.2992 175.0732 123 W 4.9614 8.4547 120.0039 56.6068 29.3615 176.0312 124 K 4.0600 8.9705 125.9609 58.3657 31.8122 176.7358 125 G 3.9295 10.6685 113.6562 45.9522 0.0000 173.6221 126 Y 4.8082 8.0191 116.8570 54.4177 39.5671 175.1671 127 G 3.9961 8.9790 117.0760 46.2805 0.0000 173.9261 128 C 3.7634 7.8723 119.8808 60.5398 32.0049 173.6329 129 S 4.1108 8.6881 119.8882 59.2472 62.5469 172.0981 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 9 A 8.12 4.38 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 N 8.01 4.17 0.00 2.83 2.86 0.00 0.00 6.89 6.68 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 11 S 8.86 4.35 0.00 3.87 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 12 T 7.79 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 1.21 0.00 0.00 13 V 7.50 3.31 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 0.79 0.00 0.00 0.73 0.00 0.00 14 L 8.34 3.82 0.00 1.68 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 15 S 8.11 4.05 0.00 4.11 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 16 F 8.01 4.34 0.00 2.97 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 17 C 8.26 3.86 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.75 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.23 4.50 0.00 3.03 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 20 A 7.63 4.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 3.63 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.48 4.60 0.00 2.72 2.49 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 23 P 0.00 4.14 0.00 2.19 1.95 0.00 3.78 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 2.20 2.26 0.00 24 A 8.15 3.99 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 25 K 8.93 3.94 0.00 2.01 2.03 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.64 1.49 7.81 26 A 7.99 4.12 1.10 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 27 Y 8.51 4.26 0.00 2.98 3.16 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 0.00 0.00 0.00 28 K 8.33 3.74 0.00 1.89 2.10 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 29 D 8.36 4.33 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.44 4.13 0.00 3.18 3.14 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 0.00 31 L 8.11 3.51 0.00 1.60 1.46 0.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.70 4.04 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 33 S 7.63 4.45 0.00 3.82 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 34 G 8.14 3.76 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 0.00 0.00 0.00 35 G 6.98 2.43 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 0.00 36 Q 8.39 4.06 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 37 P 0.00 4.60 0.00 2.13 2.23 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 38 I 8.72 4.05 1.81 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.82 0.00 0.00 39 T 8.96 4.54 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 1.32 0.00 0.00 40 N 8.10 4.29 0.00 3.00 3.06 0.00 0.00 6.97 7.54 0.00 0.00 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 C 7.79 4.68 0.00 3.03 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 42 V 8.43 3.87 2.15 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 0.79 0.00 0.00 1.06 0.00 0.00 43 K 8.51 4.60 0.00 1.62 1.54 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.89 0.21 7.81 44 M 8.98 4.18 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.71 0.00 45 L 8.46 4.23 0.00 1.53 1.57 0.88 0.85 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 46 C 7.93 5.06 0.00 2.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.62 3.92 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 1.19 0.00 0.00 *49 T 9.12 4.16 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 1.27 0.00 0.00 50 G 8.32 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 0.00 0.00 0.00 0.00 51 T 8.73 3.82 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 1.32 0.00 0.00 52 G 8.34 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.62 4.12 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 54 A 8.07 3.72 -0.04 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 0.00 0.00 0.00 0.00 0.00 55 I 7.26 5.06 1.79 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 1.44 0.48 0.95 0.00 0.00 56 T 8.73 4.79 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 1.21 0.00 0.00 57 V 8.59 4.10 2.15 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 0.77 0.00 0.00 0.98 0.00 0.00 58 T 7.74 4.36 4.13 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 1.25 0.00 0.00 59 P 0.00 4.13 0.00 1.83 1.87 0.00 3.15 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.29 0.00 60 E 10.09 4.63 0.00 1.91 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 2.52 2.37 0.00 61 A 7.77 4.52 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 62 N 8.34 5.34 0.00 2.92 2.92 0.00 0.00 5.97 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 63 M 8.54 4.07 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 64 D 9.12 4.94 0.00 2.77 2.66 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 65 Q 8.75 5.28 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 66 E 8.80 4.95 0.00 1.84 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 2.22 2.45 0.00 67 S 8.35 5.37 0.00 3.67 3.76 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 68 F 9.51 5.32 0.00 2.95 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 69 G 9.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.20 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 0.00 0.00 0.00 0.00 71 A 8.01 3.96 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.70 4.08 0.00 4.12 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 0.00 73 C 8.24 4.70 0.00 2.88 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 74 C 7.88 4.58 0.00 2.97 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 75 L 8.24 3.55 0.00 1.33 0.94 0.38 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.05 3.91 0.00 3.10 3.30 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 0.00 0.00 0.00 0.00 77 C 8.11 4.15 0.00 2.98 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 78 R 7.81 3.82 0.00 1.80 1.80 0.00 3.22 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 79 C 8.12 4.08 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.47 3.93 0.00 3.25 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 6.98 4.54 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.63 0.79 0.00 0.00 82 D 8.33 4.16 0.00 2.53 2.49 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 83 H 7.53 4.24 0.00 2.80 2.68 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.16 0.00 2.06 1.95 0.00 2.55 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 85 N 6.46 3.14 0.00 2.73 2.68 0.00 0.00 6.88 7.45 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 *89 F 7.72 4.58 0.00 2.97 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 90 C 7.90 3.87 0.00 3.02 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 91 D 8.61 4.90 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.46 0.00 1.70 1.73 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.99 3.85 0.00 1.71 1.79 0.00 1.92 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.47 7.81 94 G 8.86 3.82 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 0.00 0.00 0.00 95 K 8.00 4.60 0.00 1.70 1.84 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.65 7.81 96 Y 9.03 5.05 0.00 2.94 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 97 V 8.98 4.77 2.27 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 1.33 0.00 0.00 1.04 0.00 0.00 98 Q 9.18 5.31 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.36 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 99 I 8.59 4.14 1.81 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.18 -0.00 0.00 0.00 100 P 0.00 4.56 0.00 1.92 2.10 0.00 2.29 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.16 0.00 101 T 8.98 3.75 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 0.00 102 T 7.90 4.07 4.30 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 0.00 0.00 0.00 1.26 0.00 0.00 103 C 8.66 4.77 0.00 2.60 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 0.00 104 A 7.62 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.00 4.55 0.00 2.86 2.98 0.00 0.00 5.75 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 0.00 106 D 7.95 4.80 0.00 2.76 2.55 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 0.00 107 P 0.00 3.99 0.00 1.75 1.29 0.00 3.47 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.00 108 V 7.15 3.98 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 0.90 0.00 0.00 0.75 0.00 0.00 109 G 8.30 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 0.00 110 F 8.31 3.69 0.00 3.08 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 0.00 111 T 7.68 3.91 4.42 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 1.40 0.00 0.00 112 L 7.06 4.14 0.00 1.99 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.84 4.00 0.00 1.50 1.83 0.00 3.04 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 114 N 6.89 4.84 0.00 1.52 2.44 0.00 0.00 6.82 6.99 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 0.00 115 T 8.28 4.96 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 1.28 0.00 0.00 116 V 8.29 4.35 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 0.49 0.00 0.00 0.08 0.00 0.00 117 C 9.14 4.27 0.00 3.04 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 0.00 118 T 8.65 4.15 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 1.21 0.00 0.00 119 V 7.86 3.85 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 0.93 0.00 0.00 120 C 8.01 4.48 0.00 3.10 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 0.00 121 G 8.16 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 0.00 0.00 0.00 122 M 7.36 4.79 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 123 W 8.45 4.96 0.00 3.63 3.32 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 0.00 124 K 8.97 4.06 0.00 2.11 1.91 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.53 7.81 125 G 10.67 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 0.00 126 Y 8.02 4.81 0.00 3.28 3.11 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 0.00 127 G 8.98 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 0.00 0.00 0.00 0.00 128 C 7.87 3.76 0.00 3.03 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 0.00 129 S 8.69 4.11 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.