NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4912 8.3049 120.3295 55.2436 32.2743 173.8008 2 K 4.4822 8.2007 122.6295 52.2962 33.7129 174.5519 3 D 4.4145 9.0289 125.5093 53.7761 40.1413 175.1051 4 G 3.7637 8.2409 116.0450 45.7210 0.0000 173.9472 5 T 4.8014 7.9997 122.9115 62.0436 72.8845 171.5343 6 Y 5.4019 8.8317 125.0520 56.3157 40.5212 174.5204 7 Y 5.9146 9.3993 121.3790 54.2342 41.6337 174.7118 8 A 4.3678 8.1501 121.0233 50.0913 22.9219 174.6968 9 E 4.9008 8.1665 117.7686 53.8490 32.4445 175.6969 10 A 4.0519 8.0943 123.2659 52.3626 18.4880 177.9323 11 D 4.3154 8.8370 121.4087 56.4692 41.2086 176.1099 12 D 4.7489 7.4230 115.5868 50.8646 42.6712 174.7848 13 F 4.5017 8.3104 118.1103 57.3127 40.2515 176.4548 14 D 4.8765 8.3742 125.5239 53.9469 42.5394 177.1081 15 E 3.9926 8.8640 118.8336 60.2383 29.7949 177.8149 16 S 4.4874 8.2542 112.5833 58.2163 63.4862 174.8950 17 G 3.8852 8.3119 109.2331 45.5309 0.0000 172.5847 18 W 5.3205 8.0860 119.0829 54.4083 32.1066 175.3285 19 K 4.2116 9.6516 125.4524 55.7644 32.0713 175.9592 20 D 5.0982 8.4588 124.5625 54.4533 41.6250 176.0399 21 T 5.0786 9.4061 113.3389 59.8490 72.9114 173.0193 22 V 4.6510 8.3801 121.7695 61.5871 34.4380 174.3134 23 T 4.8021 8.6464 125.3253 62.2483 70.3803 173.7961 24 I 4.5191 8.9975 129.1777 59.7523 39.2261 174.8372 25 E 4.5241 8.8601 129.8853 54.9564 30.1437 174.6643 26 V 4.7687 7.9478 127.7770 61.4273 33.2163 174.6076 27 K 4.4933 9.2528 128.1382 55.8466 36.1135 175.4321 28 N 4.0390 9.6845 122.7168 54.3717 35.8077 175.0195 29 G 4.1060 8.8435 108.8503 44.7470 0.0000 173.7050 30 K 4.6960 7.3489 116.0556 54.2699 35.6222 175.0796 31 I 4.3574 7.9688 119.8886 61.5325 37.2686 176.5905 32 V 4.4073 8.3564 117.8826 62.0372 34.1344 176.0007 33 S 4.9056 7.8214 114.3826 57.2700 67.7200 173.5087 34 V 4.9501 7.8980 119.8303 60.7220 34.2597 173.2115 35 D 4.8162 9.3247 124.0441 52.0237 44.2577 174.9204 36 W 5.1244 7.7303 119.5646 55.3030 29.4708 174.8744 37 N 5.3382 8.8387 122.1062 52.3573 43.0052 172.6675 38 A 5.1791 8.3851 119.9947 51.4102 23.5295 175.2450 39 I 4.9214 8.8711 122.7153 60.0267 39.5066 174.4070 40 N 4.3722 8.3114 125.4732 51.8172 40.0469 175.5964 41 K 2.8368 7.5364 127.8639 59.2753 32.2664 177.8053 42 D 4.2780 7.5308 116.3133 56.4100 41.6798 177.7378 43 G 3.4316 7.9318 108.0775 48.3919 0.0000 174.9217 44 G 3.9184 8.1414 107.7976 44.4121 0.0000 172.3555 45 D 4.9274 7.5744 117.9340 52.0867 44.2453 174.4335 46 D 5.1947 8.1735 119.3492 53.2303 43.8414 176.3506 47 K 4.1881 8.6460 120.7515 59.4344 31.8689 177.9539 48 D 4.3683 8.0961 118.5473 57.8912 41.1333 178.6616 49 T 3.9333 7.8496 115.4141 66.7520 68.6297 176.8339 50 L 4.1420 8.3023 120.9892 57.6384 41.3863 179.5392 51 S 4.2512 8.2886 112.8728 61.3594 62.4282 175.8751 52 R 4.0756 7.6956 120.6939 59.2828 29.9116 177.7818 53 N 4.6458 8.2957 115.5129 54.3493 38.8594 176.4952 54 G 4.0386 8.4796 106.7594 45.5277 0.0000 174.2009 55 G 4.1023 7.6947 106.8806 44.7288 0.0000 176.1378 56 Y 4.3851 7.9219 119.8761 57.3622 37.6152 174.1599 57 K 4.5918 8.1131 124.9323 55.3805 33.5375 176.5823 58 M 4.6526 8.1796 120.9740 53.6541 35.2469 176.2587 59 V 3.5431 8.1433 116.0314 62.3988 32.1394 175.9216 60 E 4.3982 7.5251 119.4753 54.6357 31.2405 174.2436 61 Y 4.5451 8.6636 124.1363 58.6881 39.3994 176.3749 62 G 4.3148 8.0106 108.3447 43.8383 0.0000 171.5638 63 G 3.8660 7.3341 105.7003 44.7453 0.0000 171.0378 64 A 4.2735 8.4021 123.1485 51.7377 19.3695 178.3984 65 Q 4.2758 8.2306 119.0057 55.0656 27.4665 176.2031 66 A 4.5235 7.8932 130.7648 51.6712 19.5748 177.3683 67 E 4.5532 7.3890 117.9268 55.3652 33.6534 176.6244 68 W 4.7760 8.3222 122.2536 56.8591 28.8706 176.1997 69 H 4.7640 8.1889 127.6302 55.4315 28.6599 176.5979 70 E 3.5912 8.4671 122.0018 57.9353 29.8452 177.6182 71 Q 3.7154 7.5680 120.0339 57.4718 29.7868 177.1443 72 A 3.7605 7.2385 119.0874 54.4580 17.8788 178.8011 73 E 4.0667 6.9293 117.9511 59.4572 29.3420 179.2289 74 K 3.8503 7.7105 118.4396 59.2519 31.9615 179.5154 75 V 3.3545 7.2567 118.3935 65.5625 31.4687 177.8062 76 E 3.8649 8.0596 117.3369 59.3897 29.4991 179.0452 77 A 4.0782 7.6566 121.4387 54.9071 18.4617 178.9680 78 Y 4.4018 7.6664 119.2234 59.9636 38.8107 177.7126 79 L 4.1808 7.8189 121.5689 58.0369 42.0233 179.0325 80 V 3.6160 7.5972 117.4340 65.9763 31.8684 177.5817 81 E 4.0860 8.0603 116.9747 59.2319 28.7834 179.2176 82 K 3.9979 7.7005 118.0463 56.9956 31.9177 178.2804 83 Q 3.4236 7.9242 114.7998 56.3074 26.8143 172.9060 84 D 4.6508 7.5490 113.8527 51.7702 42.4837 173.6600 85 P 4.4937 0.0000 0.0000 64.4177 31.7019 176.7513 86 T 4.4356 8.0094 111.5227 61.8117 68.9791 172.8677 87 D 4.4881 7.9355 120.8335 54.0598 41.0805 175.0142 88 I 3.7295 7.1907 123.6524 60.0101 40.3958 172.8971 89 K 4.2645 8.1262 125.8086 54.6071 34.6450 174.9115 90 Y 5.0684 8.1225 123.2840 56.2429 40.3807 174.8437 91 K 4.7933 8.5353 122.0559 54.1291 32.3800 174.7970 92 D 4.5132 7.7935 123.9047 55.1871 43.8216 174.6309 93 N 4.8461 8.7201 116.9938 53.3530 38.7723 174.1482 94 D 4.5585 8.8829 116.3726 54.0066 43.5282 177.2226 95 G 4.4892 7.0537 122.0494 46.2571 0.0000 171.6222 96 H 5.0128 7.4798 117.0484 54.9270 30.1408 174.9444 97 T 4.8432 8.5477 118.1035 60.4698 69.6130 172.8723 98 D 4.6362 8.6181 125.8724 54.1668 41.8808 176.7802 99 A 4.0881 7.4912 121.1684 55.4029 18.5797 179.0905 100 I 3.0188 7.1802 116.1296 63.1142 37.5905 172.5137 101 S 3.7263 7.9835 127.8454 60.8564 60.9050 169.4244 102 G 3.5013 8.4485 115.9059 44.9817 0.0000 172.5366 103 A 4.4840 7.7175 122.7010 51.0901 19.1366 175.7607 104 T 4.3480 8.2904 117.0481 64.1413 69.0767 175.2529 105 I 4.2023 7.3977 122.0681 59.2073 39.0947 175.3017 106 K 4.1589 8.4316 125.5088 57.3266 32.7193 177.5280 107 V 4.4972 8.6186 122.9360 63.3320 31.7318 177.2450 108 K 3.8816 7.6740 120.4751 59.6371 31.9354 178.1457 109 K 4.1325 8.2697 119.3911 59.3187 32.1796 178.4625 110 F 4.1007 8.9530 120.9092 61.5815 38.9015 177.2509 111 F 4.1278 8.7130 116.6277 59.8353 38.4994 177.1882 112 D 4.4355 8.3032 118.1043 57.6019 41.1575 178.2847 113 L 4.1701 8.0201 118.4727 56.9292 41.5849 179.1924 114 A 3.8355 7.7771 121.2851 55.0061 17.9453 179.6607 115 Q 3.9323 7.5762 115.2474 58.9161 28.8744 178.5844 116 K 4.0919 7.5834 117.0982 58.6469 32.1256 179.1526 117 A 4.1435 7.5671 120.8011 54.7412 17.1908 179.1510 118 L 4.0046 7.2842 116.7350 54.5510 42.4051 179.3419 119 K 4.1538 7.9140 121.2224 59.4250 32.7054 177.4504 120 D 4.3737 8.0241 118.1049 53.7917 41.7529 177.2158 121 A 3.5190 7.1604 116.5580 52.7179 16.6561 177.0167 122 E 4.8547 7.7132 113.3374 56.9253 31.1341 176.2884 123 K 4.2878 8.3177 118.5103 56.2238 32.8567 176.5204 124 L 4.5595 8.2854 123.6587 54.1580 44.1113 174.5929 125 E 4.8285 8.2068 130.5182 55.6184 32.5220 175.5209 126 H 4.3229 8.5946 124.8928 56.9984 30.3538 176.1171 127 H 4.1895 8.5746 126.1596 55.8916 30.2275 174.5878 128 H 4.7702 8.1014 124.0162 54.9522 31.2780 174.5370 129 H 4.9194 8.1328 113.2785 54.8434 28.8909 172.7534 130 H 4.5638 8.0691 119.2805 55.5788 31.3418 174.2660 131 H 4.3100 8.1976 124.5081 56.5358 29.8544 172.6961 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 4.49 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 2 K 8.20 4.48 0.00 1.70 1.78 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 D 9.03 4.41 0.00 2.81 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 4 G 8.24 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 5 T 8.00 4.80 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 1.10 0.00 0.00 6 Y 8.83 5.40 0.00 2.85 2.90 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 0.00 0.00 0.00 7 Y 9.40 5.91 0.00 2.94 2.81 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 8 A 8.15 4.37 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 9 E 8.17 4.90 0.00 1.91 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 0.00 1.96 2.15 0.00 10 A 8.09 4.05 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 11 D 8.84 4.32 0.00 2.60 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 12 D 7.42 4.75 0.00 2.68 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 13 F 8.31 4.50 0.00 3.05 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 14 D 8.37 4.88 0.00 2.95 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 15 E 8.86 3.99 0.00 1.96 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 2.33 0.00 16 S 8.25 4.49 0.00 4.23 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 0.00 17 G 8.31 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 18 W 8.09 5.32 0.00 3.40 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 19 K 9.65 4.21 0.00 1.89 1.78 0.00 1.21 0.00 0.00 1.55 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 0.34 7.81 20 D 8.46 5.10 0.00 2.60 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 T 9.41 5.08 4.60 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 1.56 0.00 0.00 22 V 8.38 4.65 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 0.46 0.00 0.00 0.81 0.00 0.00 23 T 8.65 4.80 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 1.22 0.00 0.00 24 I 9.00 4.52 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.00 1.00 0.00 0.00 25 E 8.86 4.52 0.00 1.95 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 2.18 2.05 0.00 26 V 7.95 4.77 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 0.93 0.00 0.00 1.14 0.00 0.00 27 K 9.25 4.49 0.00 1.79 1.57 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.43 7.81 28 N 9.68 4.04 0.00 2.93 2.92 0.00 0.00 7.19 7.67 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 29 G 8.84 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 30 K 7.35 4.70 0.00 2.16 1.92 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 31 I 7.97 4.36 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.98 0.00 0.00 32 V 8.36 4.41 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 0.73 0.00 0.00 0.99 0.00 0.00 33 S 7.82 4.91 0.00 3.69 3.68 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 34 V 7.90 4.95 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 0.84 0.00 0.00 1.08 0.00 0.00 35 D 9.32 4.82 0.00 2.55 2.30 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 36 W 7.73 5.12 0.00 3.56 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 37 N 8.84 5.34 0.00 2.95 2.80 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 38 A 8.39 5.18 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 39 I 8.87 4.92 2.10 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 1.63 0.94 1.10 0.00 0.00 40 N 8.31 4.37 0.00 1.44 1.88 0.00 0.00 5.19 5.12 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 41 K 7.54 2.84 0.00 0.79 1.06 0.00 1.48 0.00 0.00 1.29 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.01 0.65 7.81 42 D 7.53 4.28 0.00 2.42 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 43 G 7.93 3.43 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 44 G 8.14 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 45 D 7.57 4.93 0.00 2.69 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 46 D 8.17 5.19 0.00 2.75 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 47 K 8.65 4.19 0.00 2.41 2.06 0.00 1.30 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.56 1.63 7.81 48 D 8.10 4.37 0.00 2.91 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 49 T 7.85 3.93 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 1.28 0.00 0.00 50 L 8.30 4.14 0.00 1.93 1.93 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.29 4.25 0.00 4.07 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 52 R 7.70 4.08 0.00 1.95 2.14 0.00 3.32 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 53 N 8.30 4.65 0.00 2.84 2.90 0.00 0.00 7.35 7.19 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 54 G 8.48 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 55 G 7.69 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 56 Y 7.92 4.39 0.00 3.08 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 57 K 8.11 4.59 0.00 1.69 1.59 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.61 7.81 58 M 8.18 4.65 0.00 1.89 1.50 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 3.13 0.00 59 V 8.14 3.54 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 0.33 0.00 0.00 0.83 0.00 0.00 60 E 7.53 4.40 0.00 1.87 1.76 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 2.17 2.44 0.00 61 Y 8.66 4.55 0.00 3.06 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 62 G 8.01 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 0.00 0.00 0.00 0.00 63 G 7.33 3.87 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 0.00 0.00 0.00 64 A 8.40 4.27 1.24 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 0.00 0.00 0.00 65 Q 8.23 4.28 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.61 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 66 A 7.89 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 67 E 7.39 4.55 0.00 1.75 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 1.53 2.18 0.00 68 W 8.32 4.78 0.00 3.50 3.17 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 69 H 8.19 4.76 0.00 3.16 3.00 0.00 5.80 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.47 3.59 0.00 1.99 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 2.47 2.55 0.00 71 Q 7.57 3.72 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 72 A 7.24 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 6.93 4.07 0.00 2.11 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 2.40 2.61 0.00 74 K 7.71 3.85 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.58 7.81 75 V 7.26 3.35 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 0.02 0.00 0.00 0.72 0.00 0.00 76 E 8.06 3.86 0.00 2.32 2.31 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 2.69 2.55 0.00 77 A 7.66 4.08 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 78 Y 7.67 4.40 0.00 3.29 3.21 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 79 L 7.82 4.18 0.00 1.90 1.97 0.92 1.16 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 80 V 7.60 3.62 2.24 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 0.91 0.00 0.00 1.06 0.00 0.00 81 E 8.06 4.09 0.00 2.19 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 2.33 2.11 0.00 82 K 7.70 4.00 0.00 1.99 1.86 0.00 1.84 0.00 0.00 1.56 0.00 0.00 2.52 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.21 1.15 7.81 83 Q 7.92 3.42 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 84 D 7.55 4.65 0.00 2.79 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 85 P 0.00 4.49 0.00 2.20 2.09 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 86 T 8.01 4.44 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 1.26 0.00 0.00 87 D 7.94 4.49 0.00 2.77 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 88 I 7.19 3.73 0.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.36 0.37 0.00 0.00 89 K 8.13 4.26 0.00 1.54 1.51 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.42 7.81 90 Y 8.12 5.07 0.00 3.06 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 91 K 8.54 4.79 0.00 1.82 1.80 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.41 7.81 92 D 7.79 4.51 0.00 2.69 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 93 N 8.72 4.85 0.00 2.71 2.80 0.00 0.00 6.47 8.07 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 94 D 8.88 4.56 0.00 2.45 2.41 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 95 G 7.05 4.49 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 0.00 0.00 0.00 96 H 7.48 5.01 0.00 3.25 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.55 4.84 4.53 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 1.35 0.00 0.00 98 D 8.62 4.64 0.00 2.64 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 99 A 7.49 4.09 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 0.00 100 I 7.18 3.02 1.65 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 0.20 0.13 0.74 0.00 0.00 101 S 7.98 3.73 0.00 3.98 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 0.00 102 G 8.45 3.50 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 0.00 103 A 7.72 4.48 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 0.00 104 T 8.29 4.35 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 1.13 0.00 0.00 105 I 7.40 4.20 2.02 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 1.39 0.94 1.10 0.00 0.00 106 K 8.43 4.16 0.00 1.75 1.65 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.56 1.39 7.81 107 V 8.62 4.50 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 1.47 0.00 0.00 1.15 0.00 0.00 108 K 7.67 3.88 0.00 1.26 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.31 7.81 109 K 8.27 4.13 0.00 1.98 2.20 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.84 7.81 110 F 8.95 4.10 0.00 2.70 3.24 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 0.00 111 F 8.71 4.13 0.00 3.44 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 0.00 112 D 8.30 4.44 0.00 3.14 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 0.00 113 L 8.02 4.17 0.00 1.90 1.66 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.78 3.84 0.97 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 0.00 115 Q 7.58 3.93 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.06 0.00 0.00 0.00 0.00 0.00 2.42 2.77 0.00 116 K 7.58 4.09 0.00 1.85 1.80 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 117 A 7.57 4.14 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 0.00 118 L 7.28 4.00 0.00 1.53 1.38 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.91 4.15 0.00 1.81 2.02 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 120 D 8.02 4.37 0.00 2.70 2.72 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 0.00 0.00 0.00 0.00 121 A 7.16 3.52 1.16 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 0.00 0.00 122 E 7.71 4.85 0.00 1.84 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 2.27 2.41 0.00 123 K 8.32 4.29 0.00 2.13 2.12 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.49 7.81 124 L 8.29 4.56 0.00 1.60 1.52 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.21 4.83 0.00 1.76 1.66 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 2.43 2.59 0.00 126 H 8.59 4.32 0.00 3.02 3.07 0.00 5.75 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.57 4.19 0.00 3.05 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.10 4.77 0.00 3.06 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.13 4.92 0.00 3.05 3.18 0.00 5.89 0.00 0.00 0.00 0.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.07 4.56 0.00 3.28 3.14 0.00 5.70 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 0.00 131 H 8.20 4.31 0.00 3.05 3.04 0.00 6.01 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