NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.5793 8.4244 118.2192 54.2678 38.6079 172.8328 4 E 4.5313 8.1428 115.6373 55.8138 32.3084 174.3787 5 K 5.2757 9.6289 128.7560 55.3507 34.7413 175.9419 6 I 4.9591 8.0421 123.0289 59.4969 41.4566 173.6519 7 L 5.1313 9.2952 129.2019 53.5137 44.4206 174.9345 8 I 4.7093 8.8661 127.3248 59.7421 39.6973 174.8307 9 V 4.8332 8.6871 128.9525 61.5624 32.8007 173.9526 10 D 5.2151 8.7848 127.1983 53.3916 44.6719 175.5464 11 D 4.5524 8.7004 122.9853 54.2891 40.4639 177.1057 12 Q 4.3457 8.8296 121.2290 54.5863 29.0544 176.0855 13 S 4.2269 8.6390 122.3648 62.0294 63.0762 176.5158 14 G 3.8491 8.3454 107.3326 48.6620 0.0000 175.3543 15 I 3.8846 7.6545 115.2045 62.9153 37.7165 178.1898 16 R 3.9628 7.9738 120.2930 59.6357 30.1625 178.6406 17 I 3.7377 7.8704 119.5423 64.2184 36.8006 178.2593 18 L 4.0183 7.7445 120.5136 57.7690 42.2384 178.3878 19 L 3.8564 8.2479 120.7014 57.9778 42.1479 178.2850 20 N 4.4052 8.3822 117.1987 56.9149 38.9855 176.4201 21 E 4.0189 8.0591 119.9866 58.6888 29.6345 179.0926 22 V 3.4436 7.5025 118.7102 66.0731 31.5376 178.1210 23 F 4.6584 7.6256 116.8503 60.3230 38.7333 177.4364 24 N 4.5499 8.1999 116.2646 56.3581 38.1991 177.2810 25 K 3.9169 7.7217 119.0106 59.5597 32.2483 178.2776 26 E 4.2420 7.8841 117.8771 57.8670 29.4542 177.5249 27 G 4.0479 7.6585 106.5431 45.3285 0.0000 172.9763 28 Y 4.5752 8.1194 117.3033 56.5657 39.8306 175.1009 29 Q 4.3168 8.4835 124.6595 55.6495 30.0998 175.1110 30 T 4.8647 8.1700 116.4793 60.3925 71.6348 173.6366 31 F 5.1743 8.5405 118.7928 56.3031 43.7537 173.8105 32 Q 5.3038 8.9014 119.2890 54.3828 32.6130 174.5092 33 A 4.8646 9.0626 122.0047 50.6006 22.8753 176.6201 34 A 4.7818 9.0176 120.3141 51.0416 20.7177 175.4009 35 N 4.9336 7.5727 112.4866 50.4127 40.3876 175.5367 36 G 3.6041 8.6411 104.0317 47.6740 0.0000 175.3525 37 L 3.9428 7.9377 122.1432 58.3152 42.2410 178.8589 38 Q 3.9813 9.3782 118.1588 59.0322 28.6376 178.5777 39 A 3.9587 7.9282 121.3285 55.4009 18.4422 179.5622 40 L 3.9118 8.4501 116.9814 57.8492 41.6944 179.5709 41 D 4.3221 8.4184 119.1394 57.6820 40.7652 178.9436 42 I 3.5331 8.1770 120.4146 64.1565 37.0218 178.6434 43 V 3.5030 7.8608 119.1157 66.3196 31.1533 178.0383 44 T 3.8151 7.6340 113.7308 66.8943 68.4832 176.6502 45 K 4.1264 8.0040 118.4256 58.3571 32.1555 177.7240 46 E 4.3652 8.0577 115.8940 54.6620 31.9988 175.8693 47 R 3.7534 7.8984 116.7105 56.4139 27.7332 173.9884 48 P 4.5926 0.0000 0.0000 62.8678 32.7602 177.0532 49 D 4.6474 8.5539 118.4669 56.3073 42.1422 176.1752 50 L 5.1907 7.6086 119.4138 53.4576 45.9605 174.7135 51 V 4.8204 8.6140 123.8502 59.9504 34.9853 174.2959 52 L 4.8019 9.2078 124.9418 53.2529 43.3899 175.4837 53 L 4.6484 8.8007 128.7425 53.2764 43.1847 175.1217 54 D 4.8437 8.9224 128.2260 54.8465 41.2292 176.0110 55 M 4.2703 8.9800 125.1879 56.0968 32.8073 177.1565 56 K 4.3745 8.2476 118.7648 54.0340 32.1412 173.8266 57 I 4.5022 7.4919 120.9925 58.6042 39.3308 172.9680 58 P 4.1470 0.0000 0.0000 64.4209 30.7594 176.6848 59 G 3.9362 9.1925 111.7429 45.2303 0.0000 171.7806 60 M 4.5465 7.9892 118.8185 53.3705 34.5065 175.6839 61 D 4.7633 8.4049 124.9934 52.5446 41.4622 176.7056 62 G 3.7807 8.5352 114.3882 47.8746 0.0000 173.1061 63 I 3.6895 7.7291 121.3160 64.3243 37.1796 178.2381 64 E 3.9548 8.5165 119.3064 59.4525 29.2876 179.5301 65 I 3.6764 7.9404 119.9535 64.0810 37.0582 178.1186 66 L 3.8938 8.0016 121.2804 58.2560 41.8563 178.8931 67 K 3.8590 8.1856 118.3354 59.7818 31.9327 179.2594 68 R 3.8801 8.3495 118.2815 59.9393 29.9901 179.0873 69 M 4.0876 8.0343 118.2278 58.0389 32.0444 178.9564 70 K 3.9229 7.7948 118.4610 59.4551 32.0480 179.2485 71 V 3.5874 7.7145 117.4476 66.4102 31.3217 177.8700 72 I 3.9179 7.3091 118.4259 63.5612 37.3851 176.0706 73 D 4.6106 8.0508 116.0478 55.7189 42.4667 177.9479 74 E 4.1058 8.1287 117.2744 56.7618 29.2707 175.6531 75 N 4.5282 7.9495 114.4564 54.7256 39.1518 175.5220 76 I 3.6771 7.8809 117.9125 61.9516 38.5186 175.1784 77 R 4.7346 8.6901 128.1681 54.7496 32.3922 175.7430 78 V 4.8943 8.0631 121.3052 59.9549 35.2430 174.1265 79 I 4.7152 8.5896 124.5147 59.3296 40.1946 174.7523 80 I 4.6484 8.1061 120.4723 60.1471 40.0723 174.4416 81 M 5.5025 9.2340 124.0649 53.9805 34.7982 175.0810 82 T 5.0755 8.9904 112.5540 59.4455 73.0016 173.0419 83 A 4.5224 8.4940 123.4490 51.4232 19.7363 177.5392 84 Y 4.2245 8.5236 121.7139 57.5644 36.7471 177.6048 85 G 3.6050 8.7638 115.2453 47.5214 0.0000 172.6592 86 E 3.3834 8.5765 117.2344 57.3186 26.5417 177.2242 87 L 3.2898 6.8103 126.7459 57.3314 43.3242 177.7742 88 D 4.3392 9.8177 119.4494 57.5141 41.1886 178.5803 89 M 3.9434 8.4294 118.5386 58.7671 32.3006 178.1933 90 I 3.6109 7.5365 119.6636 64.4220 37.4074 178.1569 91 Q 3.9187 8.0620 120.1464 59.2330 28.9660 177.9480 92 E 4.0825 8.5927 120.6495 59.5382 29.6636 178.9742 93 S 4.1484 8.3820 115.4587 61.5042 62.9251 176.8589 94 K 4.2616 8.1597 121.2707 59.3144 31.5495 179.2687 95 E 4.0634 7.9674 117.9600 58.6451 29.4684 178.2657 96 L 4.4035 7.3123 116.2765 54.3745 42.1334 177.2874 97 G 4.0132 7.6846 106.5858 44.8638 0.0000 174.2933 98 A 4.1636 8.1139 123.0670 52.1493 19.0034 178.0422 99 L 4.0460 8.6071 122.2819 57.9938 42.6120 176.8191 100 T 4.2796 6.7585 110.4063 62.2175 71.3442 171.1283 101 H 5.2340 8.6958 114.7185 54.2714 31.9804 172.5971 102 F 5.3862 9.1902 118.5701 55.9401 41.8876 174.6507 103 A 5.2440 8.9588 124.2933 51.0280 20.7400 176.3295 104 K 4.7894 8.8894 119.1551 53.5362 35.3347 174.6129 105 P 4.0800 0.0000 0.0000 62.2125 31.9608 176.3780 106 F 4.5114 7.8705 119.5313 58.4246 39.4938 175.0721 107 D 4.8128 8.3171 122.6952 51.5355 41.1463 176.1028 108 I 3.5367 8.2888 125.6656 64.3715 37.2362 177.1016 109 D 4.3059 7.9324 118.7332 57.2849 40.7474 178.2504 110 E 3.8873 8.3721 119.8821 59.2468 29.6086 179.0043 111 I 3.0096 7.8603 120.2787 64.1329 37.1040 178.6784 112 R 4.0967 7.9403 118.9097 59.2951 29.8353 178.7608 113 D 4.3699 8.3600 118.6481 57.3271 40.8426 178.5558 114 A 4.1242 8.1722 121.1409 55.4981 18.5273 179.7275 115 V 3.7491 8.5831 116.7558 66.0501 31.1084 178.1407 116 K 4.0821 8.7812 119.6656 59.3508 31.8491 178.5830 117 K 3.8609 8.0777 118.8663 59.9968 32.2689 178.2351 118 Y 4.3586 8.2372 115.5227 59.5391 39.1970 176.1286 119 L 4.8031 8.3035 120.8175 52.4135 42.3061 173.7411 120 P 4.6135 0.0000 0.0000 61.7807 32.4610 176.6547 121 L 4.1083 8.2380 121.6169 55.3796 42.5000 177.3368 122 K 4.2113 8.5886 120.5956 56.9614 31.6178 176.1059 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 N 8.42 4.58 0.00 2.84 2.96 0.00 0.00 5.83 6.77 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 4 E 8.14 4.53 0.00 2.19 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 2.53 2.59 0.00 5 K 9.63 5.28 0.00 1.91 1.96 0.00 1.93 0.00 0.00 1.97 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.36 7.81 6 I 8.04 4.96 1.54 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.66 0.42 0.00 0.00 7 L 9.30 5.13 0.00 1.73 1.53 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.87 4.71 1.97 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 1.31 0.70 1.03 0.00 0.00 9 V 8.69 4.83 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 1.05 0.00 0.00 0.96 0.00 0.00 10 D 8.78 5.22 0.00 2.88 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.70 4.55 0.00 2.91 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 12 Q 8.83 4.35 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 13 S 8.64 4.23 0.00 3.87 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 14 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.65 3.88 1.98 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 1.62 0.70 0.84 0.00 0.00 16 R 7.97 3.96 0.00 2.11 2.16 0.00 3.25 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 17 I 7.87 3.74 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 1.57 1.12 0.93 0.00 0.00 18 L 7.74 4.02 0.00 1.87 1.73 0.92 1.00 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 19 L 8.25 3.86 0.00 2.03 1.64 0.61 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.38 4.41 0.00 2.95 3.03 0.00 0.00 6.88 7.39 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 21 E 8.06 4.02 0.00 2.26 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 0.00 2.29 2.34 0.00 22 V 7.50 3.44 1.57 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 0.65 0.00 0.00 0.78 0.00 0.00 23 F 7.63 4.66 0.00 3.16 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 24 N 8.20 4.55 0.00 2.99 2.88 0.00 0.00 6.51 7.29 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 25 K 7.72 3.92 0.00 1.87 2.01 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 26 E 7.88 4.24 0.00 2.53 2.17 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 2.44 2.60 0.00 27 G 7.66 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 0.00 0.00 0.00 28 Y 8.12 4.58 0.00 2.97 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 29 Q 8.48 4.32 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 1.71 2.08 0.00 30 T 8.17 4.86 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 1.31 0.00 0.00 31 F 8.54 5.17 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.90 5.30 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 33 A 9.06 4.86 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 34 A 9.02 4.78 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 35 N 7.57 4.93 0.00 2.91 2.92 0.00 0.00 6.12 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 36 G 8.64 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 37 L 7.94 3.94 0.00 1.72 1.86 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 9.38 3.98 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 39 A 7.93 3.96 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 40 L 8.45 3.91 0.00 1.66 1.72 0.91 0.95 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 41 D 8.42 4.32 0.00 2.90 2.68 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 0.00 0.00 0.00 0.00 42 I 8.18 3.53 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.61 0.00 0.00 43 V 7.86 3.50 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 1.00 0.00 0.00 0.93 0.00 0.00 44 T 7.63 3.82 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 45 K 8.00 4.13 0.00 1.60 1.79 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.56 7.81 46 E 8.06 4.37 0.00 1.29 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 1.90 1.47 0.00 47 R 7.90 3.75 0.00 1.90 1.92 0.00 3.48 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 48 P 0.00 4.59 0.00 2.39 2.24 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 49 D 8.55 4.65 0.00 2.79 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 50 L 7.61 5.19 0.00 1.61 1.27 0.79 0.61 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 51 V 8.61 4.82 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 0.82 0.00 0.00 0.97 0.00 0.00 52 L 9.21 4.80 0.00 1.62 1.73 1.16 0.32 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 53 L 8.80 4.65 0.00 1.66 1.54 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.92 4.84 0.00 2.94 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 55 M 8.98 4.27 0.00 1.96 2.11 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 2.60 2.92 0.00 56 K 8.25 4.37 0.00 1.74 1.74 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 57 I 7.49 4.50 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 0.92 0.00 0.00 58 P 0.00 4.15 0.00 2.06 2.04 0.00 4.19 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 59 G 9.19 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 60 M 7.99 4.55 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 61 D 8.40 4.76 0.00 2.74 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 62 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 63 I 7.73 3.69 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.98 0.90 0.00 0.00 64 E 8.52 3.95 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 2.46 2.49 0.00 65 I 7.94 3.68 2.03 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 1.67 1.20 0.90 0.00 0.00 66 L 8.00 3.89 0.00 1.80 1.87 0.88 0.34 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 67 K 8.19 3.86 0.00 2.00 1.82 0.00 1.99 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.69 7.81 68 R 8.35 3.88 0.00 1.95 2.00 0.00 3.11 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 69 M 8.03 4.09 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 70 K 7.79 3.92 0.00 1.90 1.83 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.57 7.81 71 V 7.71 3.59 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 0.82 0.00 0.00 0.97 0.00 0.00 72 I 7.31 3.92 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.89 0.00 0.00 73 D 8.05 4.61 0.00 2.68 2.58 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 74 E 8.13 4.11 0.00 2.21 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 0.00 2.45 2.40 0.00 75 N 7.95 4.53 0.00 3.00 2.87 0.00 0.00 6.90 7.44 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 76 I 7.88 3.68 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.94 0.00 0.00 77 R 8.69 4.73 0.00 1.86 1.73 0.00 3.20 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 78 V 8.06 4.89 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 0.87 0.00 0.00 0.85 0.00 0.00 79 I 8.59 4.72 1.51 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.33 -0.24 0.00 0.00 80 I 8.11 4.65 1.85 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 1.28 1.22 0.85 0.00 0.00 81 M 9.23 5.50 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 82 T 8.99 5.08 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 1.23 0.00 0.00 83 A 8.49 4.52 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 84 Y 8.52 4.22 0.00 3.17 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 85 G 8.76 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 86 E 8.58 3.38 0.00 2.04 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 2.30 2.23 0.00 87 L 6.81 3.29 0.00 1.74 1.43 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 88 D 9.82 4.34 0.00 2.89 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 89 M 8.43 3.94 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 90 I 7.54 3.61 1.93 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.86 0.00 0.00 91 Q 8.06 3.92 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 E 8.59 4.08 0.00 2.06 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 0.00 2.29 2.34 0.00 93 S 8.38 4.15 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.16 4.26 0.00 1.94 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.61 7.81 95 E 7.97 4.06 0.00 2.08 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 2.68 0.00 96 L 7.31 4.40 0.00 1.73 1.68 0.90 1.07 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 97 G 7.68 4.01 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 0.00 0.00 0.00 98 A 8.11 4.16 1.18 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 0.00 0.00 99 L 8.61 4.05 0.00 1.02 1.16 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 100 T 6.76 4.28 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 0.78 0.00 0.00 101 H 8.70 5.23 0.00 3.17 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.19 5.39 0.00 3.05 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 0.00 103 A 8.96 5.24 1.50 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 0.00 0.00 0.00 104 K 8.89 4.79 0.00 1.63 1.44 0.00 1.59 0.00 0.00 1.37 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.88 1.54 7.81 105 P 0.00 4.08 0.00 2.06 1.90 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 106 F 7.87 4.51 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 0.00 107 D 8.32 4.81 0.00 2.65 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 0.00 0.00 0.00 0.00 108 I 8.29 3.54 1.82 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 1.65 0.94 0.79 0.00 0.00 109 D 7.93 4.31 0.00 2.66 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 0.00 110 E 8.37 3.89 0.00 2.22 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 2.31 2.51 0.00 111 I 7.86 3.01 1.69 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.02 0.69 0.00 0.00 112 R 7.94 4.10 0.00 1.99 2.23 0.00 3.27 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 113 D 8.36 4.37 0.00 2.84 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 0.00 114 A 8.17 4.12 1.79 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 0.00 115 V 8.58 3.75 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 0.37 0.00 0.00 1.13 0.00 0.00 116 K 8.78 4.08 0.00 2.08 2.09 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.54 7.81 117 K 8.08 3.86 0.00 1.65 1.96 0.00 1.64 0.00 0.00 1.30 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 1.20 7.81 118 Y 8.24 4.36 0.00 2.95 2.98 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 0.00 0.00 0.00 119 L 8.30 4.80 0.00 1.49 1.66 0.99 0.89 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 0.00 120 P 0.00 4.61 0.00 2.11 2.00 0.00 3.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.38 0.00 121 L 8.24 4.11 0.00 1.55 1.48 0.70 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.59 4.21 0.00 1.91 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.37 7.81