NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4559 8.3049 120.3289 55.0417 33.4688 174.4410 2 E 3.9716 8.3586 118.5620 55.4507 30.2068 175.3205 3 A 4.0642 9.2249 126.4082 52.5401 19.8238 177.8204 4 L 4.0029 8.4958 122.7559 55.9440 41.9752 177.6665 5 G 3.7325 8.8349 105.0451 45.8981 0.0000 172.7812 6 A 4.4878 7.4032 116.7870 51.1324 21.8109 176.5606 7 D 4.7325 8.5423 121.7667 53.4944 42.5700 175.8011 8 V 4.5695 8.3861 122.2961 61.4555 34.3885 175.1931 9 T 4.4482 7.8122 123.9082 61.5896 68.8433 173.9521 10 Q 3.8429 8.6793 124.6556 56.6674 29.1032 177.4587 11 G 4.1355 8.7993 109.1590 45.8947 0.0000 172.4633 12 L 5.1085 8.1227 119.8694 52.8607 46.5175 174.9888 13 E 5.2271 9.0375 119.2811 54.1072 34.6570 175.1338 14 K 4.1496 8.3195 122.4854 58.0154 32.4319 177.0122 15 G 4.0237 9.1477 115.4448 45.0912 0.0000 173.9989 16 S 4.3052 7.9841 116.4791 58.5913 64.2005 173.3393 17 L 5.1386 8.4414 123.6077 53.3398 42.8519 175.6679 18 I 4.6749 8.6885 117.3735 58.9379 41.6820 174.7030 19 T 4.4039 8.6490 119.1328 63.4229 69.8698 174.2319 20 C 4.8300 8.6103 126.2763 57.5192 31.6146 174.0877 21 A 4.5164 8.3514 134.0089 49.3503 16.1382 174.6436 22 D 4.9836 7.5450 119.6706 53.5603 42.2340 176.0559 23 N 5.0187 8.4487 115.3184 52.7593 37.6331 176.1232 24 T 3.9446 8.3326 111.2132 64.0322 69.4470 175.2697 25 G 3.9394 8.3688 108.8275 45.0293 0.0000 172.5775 26 A 4.7276 7.4349 123.4663 51.0486 20.2072 176.7612 27 R 4.3002 8.9057 123.1517 58.0912 31.6133 175.9445 28 E 5.0858 8.0256 119.3890 54.3016 32.3801 173.9628 29 L 5.2654 9.0133 125.9655 52.7481 45.7460 175.1604 30 K 4.9211 8.8468 124.3362 54.3297 34.5642 175.4401 31 V 3.9586 8.6547 128.5909 63.4586 31.9528 176.1292 32 I 4.3266 8.4276 127.7813 62.7506 39.6108 175.8325 33 S 4.6594 7.7537 114.9134 57.4348 68.0617 173.6562 34 V 4.5833 8.2172 121.2837 61.0483 33.5770 174.4171 35 H 4.1320 9.0660 128.4946 58.0534 29.9985 174.9660 36 G 3.8631 8.5865 113.0287 46.1543 0.0000 172.0822 37 Y 4.6729 7.7789 120.8308 55.4160 40.3848 174.7507 38 S 4.5268 7.3656 120.1084 56.4541 66.7886 172.2572 39 G 4.2469 7.8716 118.9146 44.1478 0.0000 176.0744 40 T 4.1481 8.6587 115.9649 60.4583 69.6017 171.2675 41 K 4.0374 8.5464 126.2053 57.7871 32.4639 176.8203 42 N 4.4994 8.9894 121.7826 53.7897 37.4372 174.4968 43 R 4.0599 8.0811 119.4683 55.9735 30.5963 175.4965 44 H 4.5078 8.7553 123.3276 54.6018 29.4504 173.3209 45 P 4.5802 0.0000 0.0000 63.5098 31.7283 175.2946 46 K 5.0153 7.9132 122.2396 55.1464 35.2739 175.2560 47 A 4.6996 8.7530 122.6973 50.8692 22.9776 176.0968 48 G 4.1097 9.2766 108.7248 44.5152 0.0000 171.6313 49 L 3.9642 8.3876 120.4802 56.4231 41.9123 178.0034 50 G 4.0917 8.8570 111.1753 45.4872 0.0000 173.1231 51 D 4.8600 7.7322 119.8452 53.3386 43.0510 175.3246 52 K 4.7871 8.6555 123.0388 54.9803 33.9363 175.0087 53 I 4.9800 8.3456 120.9336 59.3526 41.0453 174.9349 54 T 4.6237 8.7085 120.8782 63.3540 70.1201 174.0117 55 V 5.0346 9.2693 124.0502 61.6265 36.0028 173.4661 56 S 5.1680 8.8204 117.5962 56.3676 66.7094 173.2456 57 V 4.3396 8.2864 122.3784 62.8391 31.7140 176.5467 58 T 4.1626 8.6344 125.7759 65.5294 69.2622 175.6861 59 K 4.5622 8.8241 118.8947 54.5401 36.5285 177.6756 60 G 3.7813 8.5406 108.9838 44.6837 0.0000 172.4455 61 T 3.9818 8.2968 111.6805 61.0605 69.6617 173.3564 62 P 4.1810 0.0000 0.0000 66.1276 31.1888 178.5435 63 E 4.0291 8.0696 115.2844 59.5728 29.6076 178.7789 64 M 4.1916 8.4671 119.1554 56.9097 32.2569 177.1729 65 R 4.1401 6.7921 116.3871 57.7210 30.6799 177.6126 66 R 4.0015 8.5342 118.1932 56.7289 29.4996 176.9337 67 Q 4.1605 7.6264 117.7828 55.7701 30.1015 175.5298 68 V 4.3371 8.3275 123.2301 61.7232 32.5421 174.3161 69 L 4.9133 8.8617 127.8669 52.9487 46.1712 175.0037 70 E 5.0708 8.3898 119.3647 55.3511 32.4931 174.0920 71 A 4.9530 8.2381 124.5243 51.3414 23.6968 175.0286 72 V 4.6137 8.1460 118.1876 60.9695 35.1356 174.8025 73 V 4.1116 8.4030 127.8801 62.9746 31.9694 176.2661 74 V 4.0494 8.9084 128.8923 64.1367 33.3412 175.6683 75 R 4.1207 7.4236 117.6956 54.4715 34.8576 174.1184 76 Q 4.9311 8.0267 118.8684 54.8639 31.6733 175.9822 77 R 4.2791 9.1695 120.8908 58.6819 30.4100 177.7755 78 K 4.1619 7.9057 118.8729 55.5972 33.1209 175.2706 79 P 4.8780 0.0000 0.0000 63.2664 32.8315 175.0034 80 I 4.9134 8.5353 113.9790 59.3345 41.5541 173.7636 81 R 5.0078 8.8289 124.4125 55.0452 32.0401 175.4172 82 R 4.7697 8.6377 124.9434 54.0123 32.1828 175.7272 83 P 4.1828 0.0000 0.0000 65.9043 31.4524 176.8708 84 D 4.6390 8.0960 115.0656 53.0554 39.3960 177.3303 85 G 4.0312 8.6598 109.8790 46.1206 0.0000 174.7474 86 T 4.0910 7.9089 116.8916 63.8229 69.5180 173.8488 87 R 5.0707 8.4372 123.4625 54.9592 32.5040 175.9218 88 V 4.4994 8.9211 121.9790 61.0090 34.5733 174.4643 89 K 5.0486 8.4469 125.5326 55.3949 35.8027 175.1955 90 F 4.7279 8.8256 119.7007 55.6100 41.7974 176.4612 91 E 4.0231 9.0260 120.2010 58.9098 29.6347 175.0910 92 D 4.7782 7.7627 115.8228 52.5989 42.9233 173.7726 93 N 5.2499 8.6767 115.0088 51.7131 40.8290 174.3338 94 A 5.1870 8.9230 124.1006 50.6663 23.4048 174.6630 95 A 5.0108 9.2418 120.7492 50.3641 23.6449 175.2237 96 V 4.5633 8.4644 119.6092 60.6609 34.2508 175.2142 97 I 4.3064 8.3559 129.6665 61.8108 37.9572 175.5926 98 V 4.8787 8.5130 125.8335 60.1376 34.9568 174.2969 99 D 5.1307 7.8281 119.2906 51.4586 41.8398 176.1049 100 E 3.8986 8.9060 117.1538 60.1011 29.3451 177.9178 101 N 4.5701 8.9871 113.3517 53.2738 38.9646 175.2649 102 E 3.7971 8.3194 117.0184 57.0599 27.0192 173.5652 103 D 5.2454 8.2796 118.2715 51.0930 41.6395 174.3462 104 P 4.4756 0.0000 0.0000 63.3390 31.4069 177.3592 105 R 3.9276 8.6200 122.3415 58.5719 30.2529 176.5440 106 G 4.0398 7.0957 103.1274 44.7301 0.0000 172.6785 107 T 4.4434 8.5578 113.5941 63.8697 70.5445 174.9550 108 E 4.7858 8.9514 120.1842 54.4138 33.9688 174.6956 109 L 5.0095 8.5104 123.0415 53.3282 43.2925 176.0379 110 K 4.2585 8.2493 124.1898 56.3699 33.1922 178.1213 111 G 3.9675 8.9249 110.8528 44.1268 0.0000 170.6359 112 P 4.8952 0.0000 0.0000 62.7902 32.5799 175.5657 113 I 4.7929 8.3757 118.7470 59.3717 42.0741 174.7861 114 A 4.7256 8.1926 126.2822 51.6335 19.1273 178.9836 115 R 3.9078 9.0301 119.2124 59.7328 28.9535 179.0233 116 E 3.9371 8.3161 118.5293 59.2520 29.3652 179.2823 117 V 3.7578 7.9213 117.6016 65.2770 31.4663 178.0647 118 A 4.0029 8.0783 121.1041 55.2589 18.1312 179.2178 119 Q 4.0710 7.4036 111.5125 57.4024 28.6964 177.0074 120 R 4.0273 7.6803 117.4348 57.0469 32.4898 176.1411 121 F 4.8374 7.7020 120.3536 54.8473 39.3036 176.2423 122 G 3.7032 8.6281 112.2233 47.8786 0.0000 172.8731 123 S 4.4536 8.0753 118.1893 60.1093 62.7613 176.6092 124 V 3.5649 7.8391 121.5116 65.6781 31.3395 177.6439 125 A 4.1268 8.1058 120.7449 55.1604 18.2383 180.1314 126 S 4.4562 8.6825 108.7512 59.1129 62.4725 174.8794 127 A 4.6907 7.5187 121.4730 51.7858 20.1759 176.9319 128 A 4.3269 8.5670 120.3379 52.2721 19.4197 178.2667 129 T 4.2238 8.5424 118.2659 65.8612 69.4509 175.3747 130 M 4.8555 7.8132 119.7318 53.4642 35.9896 174.7066 131 I 4.6541 8.3776 122.9698 59.4275 39.9568 175.5761 132 V 3.9092 8.6301 126.5448 62.9599 31.0016 175.7300 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 1 M 8.30 4.46 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 E 8.36 3.97 0.00 1.94 1.80 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 2.27 2.33 0.00 3 A 9.22 4.06 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 4 L 8.50 4.00 0.00 1.65 1.74 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.83 3.73 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 0.00 0.00 0.00 6 A 7.40 4.49 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 7 D 8.54 4.73 0.00 2.62 2.60 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 8 V 8.39 4.57 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 0.86 0.00 0.00 1.00 0.00 0.00 9 T 7.81 4.45 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 10 Q 8.68 3.84 0.00 1.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 11 G 8.80 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 0.00 0.00 0.00 0.00 12 L 8.12 5.11 0.00 1.67 1.48 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.04 5.23 0.00 1.83 1.80 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 2.21 2.23 0.00 14 K 8.32 4.15 0.00 1.74 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 15 G 9.15 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 0.00 0.00 0.00 16 S 7.98 4.31 0.00 3.79 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 17 L 8.44 5.14 0.00 1.50 1.60 0.95 0.76 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 18 I 8.69 4.67 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 1.33 1.25 0.88 0.00 0.00 19 T 8.65 4.40 4.31 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 1.20 0.00 0.00 20 C 8.61 4.83 0.00 3.00 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 21 A 8.35 4.52 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 22 D 7.55 4.98 0.00 2.77 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 23 N 8.45 5.02 0.00 2.82 2.91 0.00 0.00 5.99 7.71 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 24 T 8.33 3.94 4.22 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 1.25 0.00 0.00 25 G 8.37 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 0.00 0.00 0.00 26 A 7.43 4.73 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 27 R 8.91 4.30 0.00 1.75 1.96 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 28 E 8.03 5.09 0.00 2.01 1.84 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 2.26 2.29 0.00 29 L 9.01 5.27 0.00 1.53 1.47 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.85 4.92 0.00 1.76 1.63 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.65 3.96 2.21 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.43 4.33 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 1.22 0.96 0.91 0.00 0.00 33 S 7.75 4.66 0.00 3.75 3.73 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 34 V 8.22 4.58 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 0.99 0.00 0.00 0.82 0.00 0.00 35 H 9.07 4.13 0.00 3.17 3.40 0.00 6.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.59 3.86 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 0.00 0.00 0.00 37 Y 7.78 4.67 0.00 3.09 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 38 S 7.37 4.53 0.00 3.79 3.61 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 39 G 7.87 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 0.00 0.00 0.00 0.00 40 T 8.66 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 1.23 0.00 0.00 41 K 8.55 4.04 0.00 1.76 1.73 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 42 N 8.99 4.50 0.00 2.94 3.00 0.00 0.00 7.06 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 43 R 8.08 4.06 0.00 1.75 2.06 0.00 3.37 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.76 4.51 0.00 3.30 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.58 0.00 2.14 2.43 0.00 3.70 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 2.10 2.05 0.00 46 K 7.91 5.02 0.00 1.64 1.73 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.07 1.11 7.81 47 A 8.75 4.70 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 0.00 0.00 0.00 0.00 0.00 48 G 9.28 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 49 L 8.39 3.96 0.00 1.64 1.64 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.86 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 51 D 7.73 4.86 0.00 2.69 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 52 K 8.66 4.79 0.00 1.85 1.69 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 1.45 7.81 53 I 8.35 4.98 1.97 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 1.17 0.58 0.88 0.00 0.00 54 T 8.71 4.62 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 1.26 0.00 0.00 55 V 9.27 5.03 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 1.11 0.00 0.00 0.95 0.00 0.00 56 S 8.82 5.17 0.00 3.88 3.88 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 57 V 8.29 4.34 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.63 4.16 4.28 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 1.32 0.00 0.00 59 K 8.82 4.56 0.00 1.72 1.63 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.54 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 61 T 8.30 3.98 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 1.24 0.00 0.00 62 P 0.00 4.18 0.00 2.17 2.17 0.00 3.59 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 2.12 2.22 0.00 63 E 8.07 4.03 0.00 1.93 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 2.31 2.34 0.00 64 M 8.47 4.19 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 65 R 6.79 4.14 0.00 2.11 1.87 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 66 R 8.53 4.00 0.00 1.99 2.09 0.00 3.16 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.63 4.16 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 68 V 8.33 4.34 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.86 4.91 0.00 1.55 1.50 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.39 5.07 0.00 1.99 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 2.22 2.26 0.00 71 A 8.24 4.95 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 72 V 8.15 4.61 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 0.86 0.00 0.00 -0.31 0.00 0.00 73 V 8.40 4.11 2.20 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 0.84 0.00 0.00 0.90 0.00 0.00 74 V 8.91 4.05 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 0.80 0.00 0.00 0.94 0.00 0.00 75 R 7.42 4.12 0.00 1.49 1.36 0.00 3.19 0.00 0.00 3.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 76 Q 8.03 4.93 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 77 R 9.17 4.28 0.00 1.85 2.07 0.00 3.15 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 78 K 7.91 4.16 0.00 1.76 1.74 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.56 7.81 79 P 0.00 4.88 0.00 2.12 1.98 0.00 3.61 0.00 0.00 3.95 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 80 I 8.54 4.91 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.99 0.00 0.00 81 R 8.83 5.01 0.00 1.91 1.82 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 82 R 8.64 4.77 0.00 1.81 1.82 0.00 3.22 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 83 P 0.00 4.18 0.00 2.03 2.16 0.00 3.67 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 2.04 2.12 0.00 84 D 8.10 4.64 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.66 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 86 T 7.91 4.09 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 1.19 0.00 0.00 87 R 8.44 5.07 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.92 4.50 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 0.77 0.00 0.00 0.90 0.00 0.00 89 K 8.45 5.05 0.00 1.99 1.72 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.40 7.81 90 F 8.83 4.73 0.00 3.27 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 91 E 9.03 4.02 0.00 1.97 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 2.31 2.26 0.00 92 D 7.76 4.78 0.00 2.68 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 N 8.68 5.25 0.00 2.63 2.72 0.00 0.00 6.47 7.26 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 94 A 8.92 5.19 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 0.00 0.00 0.00 0.00 0.00 95 A 9.24 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.46 4.56 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 0.98 0.00 0.00 0.93 0.00 0.00 97 I 8.36 4.31 1.83 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 1.24 0.72 0.91 0.00 0.00 98 V 8.51 4.88 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 0.60 0.00 0.00 0.80 0.00 0.00 99 D 7.83 5.13 0.00 2.92 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 0.00 100 E 8.91 3.90 0.00 1.97 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 2.32 2.35 0.00 101 N 8.99 4.57 0.00 2.94 2.86 0.00 0.00 7.18 8.30 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 0.00 102 E 8.32 3.80 0.00 2.23 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 2.21 2.30 0.00 103 D 8.28 5.25 0.00 2.88 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 0.00 104 P 0.00 4.48 0.00 2.19 2.18 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 2.07 1.98 0.00 105 R 8.62 3.93 0.00 1.78 1.97 0.00 3.22 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.10 4.04 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 0.00 107 T 8.56 4.44 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 0.00 108 E 8.95 4.79 0.00 1.81 1.77 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 2.21 2.26 0.00 109 L 8.51 5.01 0.00 1.52 1.59 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.25 4.26 0.00 1.60 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.38 7.81 111 G 8.92 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 0.00 0.00 0.00 112 P 0.00 4.90 0.00 2.27 2.16 0.00 3.78 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 2.16 2.11 0.00 113 I 8.38 4.79 1.90 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 1.14 0.70 0.92 0.00 0.00 114 A 8.19 4.73 1.39 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 0.00 0.00 0.00 115 R 9.03 3.91 0.00 2.07 2.26 0.00 3.00 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 116 E 8.32 3.94 0.00 2.11 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 2.42 2.60 0.00 117 V 7.92 3.76 2.23 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 1.31 0.00 0.00 1.00 0.00 0.00 118 A 8.08 4.00 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 0.00 119 Q 7.40 4.07 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.68 4.03 0.00 1.13 0.66 0.00 2.89 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.30 0.00 121 F 7.70 4.84 0.00 3.14 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 0.00 122 G 8.63 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 0.00 0.00 0.00 123 S 8.08 4.45 0.00 4.08 4.17 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 0.00 124 V 7.84 3.56 2.39 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 1.04 0.00 0.00 0.91 0.00 0.00 125 A 8.11 4.13 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 0.00 126 S 8.68 4.46 0.00 4.03 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 0.00 127 A 7.52 4.69 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 0.00 128 A 8.57 4.33 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 0.00 129 T 8.54 4.22 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 0.00 130 M 7.81 4.86 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 131 I 8.38 4.65 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.63 3.91 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 0.64 0.00 0.00 0.97 0.00 0.00