NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3033 8.2516 119.7110 55.0550 33.4420 173.9646 2 V 4.1267 8.1110 120.4591 61.9366 32.7351 173.6183 3 K 4.4374 9.0574 127.9481 55.3188 34.0163 175.1156 4 Q 4.4825 8.7252 127.3886 55.6269 29.6725 174.8217 5 I 4.3149 8.3723 128.4239 59.8434 38.3377 175.9298 6 E 4.7060 8.3191 126.8346 55.1202 31.0673 176.0304 7 S 4.6163 7.4613 111.5256 56.7898 66.1602 176.6104 8 K 4.0574 8.1050 123.6157 59.8618 32.0242 179.1856 9 T 3.8723 7.9672 115.4995 66.6762 68.4400 176.2409 10 A 4.0334 7.9996 122.4121 54.8740 18.4308 179.4884 11 F 4.0554 8.0606 118.8047 61.7358 39.5786 177.4894 12 Q 3.8302 8.2721 117.6729 58.8059 28.4436 178.4383 13 E 3.8909 8.2994 120.2725 58.9754 29.6128 178.6986 14 A 3.9075 7.8450 120.9252 55.1904 18.2390 179.6312 15 L 3.7279 7.1262 115.7331 57.6901 41.8430 179.1093 16 D 4.3254 7.7387 117.5264 57.2026 41.1440 178.0831 17 A 4.0660 8.2812 120.4895 54.4924 18.7617 178.9437 18 A 4.0051 7.8593 119.3866 52.0697 18.4883 179.1662 19 G 3.8109 8.2532 105.0009 47.2617 0.0000 174.7105 20 D 4.6854 8.7978 124.1074 52.7336 39.7788 176.5346 21 K 4.2222 7.5368 119.4918 55.9663 33.0026 176.3783 22 L 4.3564 8.2461 123.7100 55.1167 43.6344 175.4926 23 V 4.7087 8.8666 125.7263 61.0154 34.4043 174.1093 24 V 4.5540 8.6058 127.9794 60.9619 34.1432 174.0805 25 V 4.8307 8.5310 127.7792 61.1455 34.2822 173.5345 26 D 4.4091 8.8115 128.3785 52.6426 42.5885 175.0188 27 F 4.9454 8.6099 126.9257 56.4597 40.3416 175.4774 28 S 4.9545 8.7786 117.7027 56.4853 67.5489 172.4896 29 A 4.7385 7.7813 119.9371 50.0187 21.4377 177.6013 30 T 3.7488 8.6660 112.2952 63.9708 68.9765 175.1660 31 W 4.4768 7.4201 116.4958 56.7761 29.1384 175.8193 32 C 4.4652 7.2271 120.9072 57.9557 31.7816 173.3539 33 G 3.9333 8.8787 115.9247 47.7041 0.0000 172.8755 34 P 4.2727 0.0000 0.0000 65.5173 30.7812 177.8135 35 C 3.9146 8.0543 116.2532 62.7618 27.8377 176.4207 36 K 4.0490 7.6192 117.6090 59.4529 31.6215 178.8749 37 M 4.1935 7.8299 118.1204 58.1707 32.5683 177.2745 38 I 4.2745 8.1608 117.0920 61.1452 38.4165 176.9931 39 K 3.9886 7.7688 119.9239 60.1390 32.0367 176.6054 40 P 4.3216 0.0000 0.0000 65.5244 31.3016 178.3814 41 F 4.2425 8.3334 119.0708 61.2414 39.1825 176.6608 42 F 4.0313 8.3197 119.2716 61.6959 39.3322 176.3160 43 H 4.0438 8.3868 118.0698 58.9890 29.7032 177.3770 44 S 3.9653 7.8709 116.2875 61.3194 62.6610 176.4990 45 L 3.7599 7.1917 122.7234 57.3386 41.1643 179.5383 46 S 3.3700 6.6318 113.7250 60.4470 62.6113 175.9364 47 E 4.1306 7.3162 121.1488 57.9710 29.5542 178.2504 48 K 4.1218 7.6069 118.7607 58.1241 33.0456 176.4544 49 Y 4.5334 7.7556 119.7898 56.4194 37.0171 175.6652 50 S 4.4348 8.4791 118.4951 59.3324 63.8401 174.8826 51 N 4.9185 8.1148 118.0142 52.5540 37.4615 174.4441 52 V 4.5117 7.5306 116.8025 61.8939 35.0556 174.1406 53 I 4.4388 8.3395 127.6697 59.7613 39.3937 174.4239 54 F 5.2345 8.8156 125.2594 55.6916 41.4240 174.5431 55 L 5.4274 9.4298 123.4033 52.8608 45.8028 175.0298 56 E 4.9339 9.1330 122.7390 54.3653 33.0372 174.7928 57 V 4.4805 8.2622 125.6975 60.9531 34.8654 173.6836 58 D 4.9178 8.5975 128.6496 53.8961 41.5699 177.3214 59 V 3.7098 8.6932 120.5932 64.2946 31.5554 177.4375 60 N 4.5235 8.7732 119.1691 56.2894 39.2091 175.9888 61 D 4.5197 8.4426 117.0092 56.9055 41.5117 176.4352 62 C 4.8351 7.7479 116.9620 57.5596 28.1835 174.5231 63 Q 4.1736 8.0240 122.5049 58.5786 28.7570 177.7539 64 D 4.3322 7.9784 120.0830 56.3943 39.5589 178.7401 65 V 3.4331 7.6585 119.0584 65.3977 31.6698 177.5712 66 A 3.7586 7.8878 120.5640 55.2415 18.2731 179.4854 67 S 3.9646 8.0374 111.4720 61.7384 62.2433 176.3238 68 E 4.0584 7.8987 119.9350 59.1727 29.2926 178.1555 69 C 4.3838 7.9561 114.0141 58.8045 28.9672 173.1129 70 E 3.6814 7.6246 118.9054 57.1771 27.1944 175.3097 71 V 3.6557 7.2621 117.2654 62.5667 32.3124 175.5184 72 K 4.6168 8.2810 121.9908 56.2392 34.3043 175.5890 73 C 4.9219 7.4386 115.6215 58.2516 32.0755 173.0872 74 M 4.6045 8.2890 120.6445 52.8644 34.9050 173.8376 75 P 4.6474 0.0000 0.0000 62.3606 33.9323 174.6679 76 T 4.7117 7.8612 116.7435 61.7145 71.8682 172.9355 77 F 5.0364 8.4752 124.9836 55.7993 41.3579 174.6663 78 Q 5.0237 8.7379 122.6865 54.0436 31.9456 174.5102 79 F 5.3314 8.8806 121.5582 55.7684 41.9335 174.6845 80 F 5.4847 9.2555 120.8220 55.7611 43.5303 174.0219 81 K 4.6504 8.9913 121.3770 54.8671 35.7092 176.7997 82 K 3.8773 9.5908 125.5567 57.5951 29.3111 176.2373 83 G 3.9187 8.0478 103.1595 45.7897 0.0000 172.4452 84 Q 4.7094 7.7651 121.2324 53.7024 31.0549 174.3523 85 K 4.0546 8.7688 125.9246 56.5766 32.3144 176.5415 86 V 4.3413 8.1070 119.1695 60.4721 32.7571 175.5524 87 G 4.0193 7.3682 106.8414 46.0945 0.0000 172.2328 88 E 5.7596 8.8117 117.9096 55.7696 32.3391 174.9039 89 F 5.1308 8.1700 119.3680 56.5060 41.6482 172.8637 90 S 5.0525 9.2147 113.6038 56.7870 65.9139 174.0072 91 G 4.1063 8.6914 108.0656 45.5168 0.0000 174.5585 92 A 4.5241 8.2867 124.8856 50.6623 17.5425 177.5830 93 N 4.7818 7.9803 119.5202 51.0957 40.6100 174.3031 94 K 3.9270 8.4086 128.6014 59.5263 32.1204 179.0570 95 E 3.9775 8.0905 118.2008 59.3732 29.4292 179.1895 96 K 3.7829 8.1506 119.3942 59.1283 32.2280 178.4418 97 L 4.3236 8.0109 120.6459 58.5065 42.2253 178.7014 98 E 4.0521 8.3951 118.4756 59.2092 29.3776 178.6256 99 A 4.0411 8.4029 121.2106 55.3800 18.4433 179.8018 100 T 3.6934 8.1828 114.4838 66.7611 68.4889 176.9881 101 I 3.6979 7.7029 121.5244 64.5339 36.8684 178.2578 102 N 4.4134 7.8479 115.9471 55.8158 38.3848 176.7306 103 E 4.0707 7.5908 120.2731 58.3775 29.8568 177.7488 104 L 4.4084 7.5407 117.1829 55.1630 42.4798 176.9103 105 V 3.7696 7.5159 122.9411 61.8636 31.2439 175.8249 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 8.25 4.30 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 V 8.11 4.13 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 1.00 0.00 0.00 0.92 0.00 0.00 3 K 9.06 4.44 0.00 1.80 1.74 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.42 7.81 4 Q 8.73 4.48 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 5 I 8.37 4.31 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.16 1.03 0.00 0.00 6 E 8.32 4.71 0.00 1.90 1.89 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 2.19 2.20 0.00 7 S 7.46 4.62 0.00 4.00 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 8 K 8.10 4.06 0.00 1.99 1.87 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.62 7.81 9 T 7.97 3.87 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 A 8.00 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.06 0.00 3.20 3.23 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 12 Q 8.27 3.83 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 13 E 8.30 3.89 0.00 2.20 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 2.27 2.29 0.00 14 A 7.84 3.91 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 15 L 7.13 3.73 0.00 1.47 1.48 0.14 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.74 4.33 0.00 2.84 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 17 A 8.28 4.07 1.31 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 0.00 0.00 18 A 7.86 4.01 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 19 G 8.25 3.81 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 0.00 0.00 0.00 20 D 8.80 4.69 0.00 2.79 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 21 K 7.54 4.22 0.00 1.90 1.74 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.36 7.81 22 L 8.25 4.36 0.00 1.76 1.46 1.06 0.79 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 23 V 8.87 4.71 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 0.82 0.00 0.00 0.92 0.00 0.00 24 V 8.61 4.55 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 0.95 0.00 0.00 0.71 0.00 0.00 25 V 8.53 4.83 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 0.32 0.00 0.00 1.19 0.00 0.00 26 D 8.81 4.41 0.00 1.64 1.88 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 27 F 8.61 4.95 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 28 S 8.78 4.95 0.00 3.64 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 29 A 7.78 4.74 0.37 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 0.00 0.00 30 T 8.67 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 1.19 0.00 0.00 31 W 7.42 4.48 0.00 3.51 3.22 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 32 C 7.23 4.47 0.00 1.87 2.45 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 0.00 0.00 0.00 0.00 33 G 8.88 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 34 P 0.00 4.27 0.00 2.28 2.35 0.00 3.58 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 2.05 2.08 0.00 35 C 8.05 3.91 0.00 3.10 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 36 K 7.62 4.05 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 37 M 7.83 4.19 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 38 I 8.16 4.27 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.46 1.15 0.00 0.00 39 K 7.77 3.99 0.00 2.08 1.86 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 40 P 0.00 4.32 0.00 2.30 2.14 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 41 F 8.33 4.24 0.00 3.15 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 42 F 8.32 4.03 0.00 3.23 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 43 H 8.39 4.04 0.00 3.26 3.38 0.00 5.64 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 44 S 7.87 3.97 0.00 4.00 4.15 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 45 L 7.19 3.76 0.00 1.24 0.86 0.83 0.49 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 46 S 6.63 3.37 0.00 3.71 3.02 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 47 E 7.32 4.13 0.00 1.97 1.93 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 2.18 2.05 0.00 48 K 7.61 4.12 0.00 1.53 1.70 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.58 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.43 1.15 7.81 49 Y 7.76 4.53 0.00 3.19 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 50 S 8.48 4.43 0.00 4.00 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 51 N 8.11 4.92 0.00 2.88 2.97 0.00 0.00 5.76 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 52 V 7.53 4.51 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 0.24 0.00 0.00 0.86 0.00 0.00 53 I 8.34 4.44 1.78 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 1.21 0.52 0.87 0.00 0.00 54 F 8.82 5.23 0.00 2.83 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 55 L 9.43 5.43 0.00 1.76 1.55 0.92 0.36 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 56 E 9.13 4.93 0.00 2.06 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 2.13 2.08 0.00 57 V 8.26 4.48 1.34 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 0.77 0.00 0.00 0.60 0.00 0.00 58 D 8.60 4.92 0.00 2.72 2.50 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 59 V 8.69 3.71 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 0.74 0.00 0.00 0.93 0.00 0.00 60 N 8.77 4.52 0.00 2.73 2.97 0.00 0.00 7.22 8.45 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 61 D 8.44 4.52 0.00 2.86 2.83 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 62 C 7.75 4.84 0.00 2.92 2.77 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 0.00 0.00 0.00 63 Q 8.02 4.17 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 64 D 7.98 4.33 0.00 2.86 2.91 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 65 V 7.66 3.43 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 0.41 0.00 0.00 0.79 0.00 0.00 66 A 7.89 3.76 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 67 S 8.04 3.96 0.00 3.98 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 68 E 7.90 4.06 0.00 2.00 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 2.34 2.46 0.00 69 C 7.96 4.38 0.00 2.60 2.99 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 70 E 7.62 3.68 0.00 2.04 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 2.22 2.36 0.00 71 V 7.26 3.66 1.73 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 0.54 0.00 0.00 -0.20 0.00 0.00 72 K 8.28 4.62 0.00 1.81 1.78 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.41 7.81 73 C 7.44 4.92 0.00 2.92 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 74 M 8.29 4.60 0.00 1.65 1.69 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 75 P 0.00 4.65 0.00 1.32 1.87 0.00 3.61 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 1.94 1.97 0.00 76 T 7.86 4.71 4.07 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 1.16 0.00 0.00 77 F 8.48 5.04 0.00 2.37 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 78 Q 8.74 5.02 0.00 2.34 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 79 F 8.88 5.33 0.00 2.93 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 80 F 9.26 5.48 0.00 2.95 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 81 K 8.99 4.65 0.00 1.68 1.68 0.00 1.98 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.43 7.81 82 K 9.59 3.88 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.48 7.81 83 G 8.05 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 0.00 0.00 0.00 84 Q 7.77 4.71 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 85 K 8.77 4.05 0.00 1.69 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 0.97 7.81 86 V 8.11 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 0.77 0.00 0.00 1.01 0.00 0.00 87 G 7.37 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 88 E 8.81 5.76 0.00 1.98 1.83 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 2.13 2.21 0.00 89 F 8.17 5.13 0.00 3.22 3.19 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 90 S 9.21 5.05 0.00 4.03 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 91 G 8.69 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 92 A 8.29 4.52 1.37 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 0.00 0.00 93 N 7.98 4.78 0.00 2.83 2.79 0.00 0.00 7.06 6.04 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 94 K 8.41 3.93 0.00 1.51 0.96 0.00 1.37 0.00 0.00 0.87 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.05 1.34 7.81 95 E 8.09 3.98 0.00 2.12 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 2.38 2.32 0.00 96 K 8.15 3.78 0.00 1.64 1.51 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.54 1.02 7.81 97 L 8.01 4.32 0.00 2.05 2.05 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.40 4.05 0.00 2.41 2.12 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 2.48 2.54 0.00 99 A 8.40 4.04 1.34 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 0.00 0.00 0.00 100 T 8.18 3.69 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 0.40 0.00 0.00 101 I 7.70 3.70 1.88 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 1.69 1.07 0.40 0.00 0.00 102 N 7.85 4.41 0.00 2.88 2.90 0.00 0.00 7.02 7.24 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 0.00 103 E 7.59 4.07 0.00 2.02 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 0.00 2.27 2.42 0.00 104 L 7.54 4.41 0.00 1.60 1.66 0.55 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.52 3.77 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 0.72 0.00 0.00 0.96 0.00 0.00