NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4376 0.0000 0.0000 62.2710 32.6344 175.6855 2 I 3.8271 8.1943 120.8847 60.6377 37.6616 170.7936 3 V 4.5378 8.4702 118.8497 59.7076 35.0456 175.3477 4 D 4.9101 8.5227 120.4775 53.1256 39.7761 175.3577 5 T 4.6726 7.4112 114.2975 63.5038 73.5518 176.0330 6 G 3.8044 8.6943 110.7191 46.6718 0.0000 174.2259 7 S 4.6723 8.3443 117.7347 56.5971 65.5905 173.2360 8 V 4.4542 7.9076 116.0362 58.9031 35.0195 175.8196 9 A 4.1084 8.4067 125.4865 51.4384 18.8421 175.7921 10 P 4.3870 0.0000 0.0000 62.5961 32.0347 176.0350 11 L 4.5157 8.0929 119.9814 54.1019 42.7138 177.9244 12 S 4.4960 9.2755 118.7972 57.5604 65.5847 175.2940 13 A 3.9635 8.5675 124.2876 55.3011 18.0668 180.1149 14 A 3.9380 7.8986 118.8242 55.4511 18.5528 179.5586 15 E 3.9679 8.1768 117.1600 59.5020 29.4405 179.7038 16 K 3.9598 8.2584 118.5976 59.7490 32.1582 179.5204 17 T 3.8921 7.7954 115.5025 66.5388 68.3104 176.9005 18 K 4.0107 7.9382 119.8522 59.4527 32.0162 179.2577 19 I 3.9028 7.9829 120.1333 64.8447 37.1519 178.5298 20 R 4.0754 8.3279 118.7887 59.4925 29.6291 179.4177 21 S 4.1399 7.8542 113.5133 61.7491 62.8047 176.3508 22 A 4.1283 8.4377 123.7281 54.6485 17.9254 179.6318 23 W 4.1525 8.9056 127.1802 60.9188 30.8975 178.0531 24 A 4.0201 8.1668 120.8043 54.9117 17.6105 177.7752 25 P 4.0948 0.0000 0.0000 65.5871 31.6864 178.7207 26 V 3.5355 6.8900 113.6924 66.2520 31.2249 177.5362 27 Y 3.8725 7.1324 117.5465 60.1341 38.5623 177.0891 28 S 4.1555 7.6366 113.9954 60.4153 63.4278 174.1371 29 T 4.4702 7.4788 111.2322 59.6767 68.7471 174.8669 30 Y 4.1504 7.4832 121.6686 61.3144 37.7457 177.6952 31 E 4.1987 7.3417 119.7244 59.0215 29.4906 178.9922 32 T 3.9642 7.5345 115.0040 66.0329 69.0743 176.8842 33 S 4.2137 7.9160 117.1362 61.7285 62.8724 176.8747 34 G 3.8849 8.4951 108.4658 48.1983 0.0000 175.7109 35 V 3.6438 7.3986 120.6170 65.6266 31.4381 177.8831 36 D 4.3615 8.2774 118.6562 57.4117 40.7229 178.7051 37 I 3.7818 8.1004 120.6338 64.4410 37.0621 178.3357 38 L 4.1660 8.2579 121.2320 58.1755 41.9882 179.1077 39 V 3.5800 8.3409 118.7578 65.6436 31.5033 177.9867 40 K 3.9568 8.5097 119.8491 59.4696 31.9210 178.4833 41 F 4.2079 8.1385 119.4539 61.2902 39.1071 176.5214 42 F 3.7543 8.5207 120.5557 61.4245 39.0106 177.2303 43 T 3.8095 7.8893 108.2505 64.2633 68.6616 175.6139 44 S 4.5385 7.5898 113.7336 58.0520 65.1224 174.5484 45 T 4.5095 6.9225 118.0010 60.2120 68.9434 172.2519 46 P 4.0635 0.0000 0.0000 65.8476 31.6295 177.9557 47 A 4.0348 7.9716 117.2941 54.6732 18.6966 178.4386 48 A 4.0960 7.7537 117.4355 52.9552 19.0730 179.2748 49 Q 4.2459 7.7782 117.7488 58.5909 28.5271 178.1196 50 E 4.0451 8.0656 116.1792 58.2673 29.6373 177.2500 51 F 4.5159 7.8831 116.9089 57.7675 39.6957 176.2491 52 F 4.5550 8.1585 120.7814 54.3757 38.6870 173.7352 53 P 4.2586 0.0000 0.0000 65.6831 31.6598 178.8919 54 K 4.2660 7.9707 113.9813 58.1418 32.1686 177.2531 55 F 4.9988 8.4202 118.0790 56.7636 39.3626 175.6306 56 K 4.1553 7.8617 121.1750 58.4770 32.3161 175.6178 57 G 4.2540 9.0751 111.0871 45.6000 0.0000 174.2217 58 L 4.2073 7.5587 119.2357 54.9966 42.0847 175.7784 59 T 4.6806 8.2485 112.4277 62.4315 71.8924 175.0196 60 T 4.0006 7.7446 114.0015 60.7652 70.8624 174.8432 61 A 4.0566 8.5288 124.3126 54.9045 18.2260 179.7650 62 D 4.2285 7.9179 116.0067 57.4380 41.8227 177.8024 63 Q 4.1007 8.4371 118.9930 58.9040 28.7512 178.6596 64 L 3.6735 7.5147 119.6025 57.8837 41.5474 179.8054 65 K 3.9343 7.6449 116.1841 58.7021 32.0348 178.4291 66 K 4.3031 7.4503 116.9236 56.0879 33.4099 176.9055 67 S 4.1506 7.4896 115.1138 57.8286 62.9920 174.8651 68 A 4.1529 8.6010 129.0656 54.9490 18.1804 179.5558 69 D 4.5070 7.8543 117.1238 57.5603 40.9294 179.0420 70 V 3.5774 7.6276 118.2436 66.0866 31.5158 178.1013 71 R 4.0221 7.9018 117.3945 58.9867 29.8923 178.9444 72 W 4.7125 8.4771 128.2406 60.9523 30.7833 177.5645 73 H 4.0098 8.5513 118.0795 59.2191 29.2444 177.1333 74 A 4.1114 8.3900 122.6538 55.2548 18.1731 179.5033 75 E 4.1211 8.6308 117.3268 59.4958 29.2845 179.9365 76 R 3.6590 7.5141 117.4493 59.0533 30.5429 178.7265 77 I 3.8544 7.6678 119.5586 64.5848 37.2146 178.3965 78 I 3.9420 8.0849 119.3809 64.1696 37.7954 177.3741 79 N 4.5484 8.1561 116.4534 55.2695 38.4186 177.3906 80 A 3.9188 7.7280 122.4419 55.0438 18.4181 179.7243 81 V 3.3076 7.7129 116.3283 66.0743 31.5272 177.4419 82 N 3.9486 7.9307 116.2579 56.7677 38.4654 176.4901 83 D 4.2194 7.7786 119.0266 57.1513 41.1349 178.3491 84 A 3.9704 7.6320 121.2265 55.1386 18.1239 179.7963 85 V 3.2492 7.6449 116.8584 65.9400 31.2997 177.6792 86 A 4.2599 8.0269 118.5677 53.5328 18.5305 177.9433 87 S 4.6252 7.6615 112.8142 58.2438 63.5626 175.8922 88 M 4.2412 7.5089 120.8429 58.1225 31.6743 177.0793 89 D 4.6418 7.8992 115.8927 54.7959 42.0482 176.1726 90 D 4.7355 8.2472 119.1830 51.4022 41.1234 175.4627 91 T 3.8767 7.8379 116.7739 64.3265 67.7356 174.5287 92 E 3.9144 8.1124 121.1612 59.1050 29.9226 178.3360 93 K 3.9322 8.0570 119.5025 59.5610 32.3400 178.3582 94 M 3.9554 7.9731 118.5786 58.7197 32.0654 178.4880 95 S 4.0162 7.8480 114.6072 61.8193 63.0722 176.1667 96 M 3.9273 7.6933 120.8485 58.5326 31.8572 178.7511 97 K 3.8521 7.7943 118.7545 59.6427 32.3879 178.8313 98 L 3.9401 7.7134 118.6589 57.7654 41.5461 179.6265 99 R 3.9202 8.4196 118.4988 59.1033 29.9095 178.5327 100 D 4.2563 7.9976 117.8269 57.3992 41.3346 178.1696 101 L 3.9949 7.7239 120.5535 57.9759 42.0024 178.8595 102 S 4.1228 8.5335 113.7378 61.3233 62.3935 176.2516 103 G 3.5545 8.0240 108.3286 47.8321 0.0000 175.6813 104 K 3.6157 7.7132 120.3934 59.3800 32.0556 179.2074 105 H 4.2732 8.1395 116.0881 58.6804 28.4228 177.7677 106 A 3.6171 7.5254 121.6289 54.6539 18.3798 179.3240 107 K 4.0685 8.1212 115.6463 57.6910 32.4101 177.5293 108 S 4.5191 7.3915 112.1673 60.1604 64.6260 175.8347 109 F 4.5078 7.3418 116.6732 58.6530 39.3812 175.3859 110 Q 3.4851 7.9267 118.2729 56.8695 25.9390 173.8123 111 V 3.9602 7.6789 109.3459 59.3598 33.6597 176.4893 112 D 4.1742 6.9107 123.3031 53.5412 41.6443 175.3710 113 P 3.3174 0.0000 0.0000 64.4326 31.3601 178.2433 114 Q 3.8459 7.5621 117.0754 58.8124 28.7692 177.5238 115 Y 4.2795 7.0022 114.5009 59.3654 37.9140 177.3055 116 F 4.4137 7.1112 118.9870 60.8380 39.1153 177.7991 117 K 4.0716 8.1084 117.4237 59.6124 32.0062 179.2809 118 V 3.6654 7.7071 119.2275 65.9900 31.6469 177.6530 119 L 3.7601 8.0606 119.9250 57.8594 41.7995 178.5659 120 A 4.0250 8.2461 120.6874 55.0982 18.1574 179.4746 121 A 4.0160 8.1575 119.2738 55.3814 18.5119 180.0166 122 V 3.6434 7.6454 116.0530 66.3126 31.6279 178.3558 123 I 3.9051 8.0437 119.4234 64.2200 36.9153 178.3468 124 A 4.3680 8.3415 121.8049 55.2704 18.0576 179.3315 125 D 4.3418 8.2760 116.5529 57.9507 41.0439 178.8868 126 T 4.0167 7.6260 114.5495 66.5848 68.5320 176.7118 127 V 3.7355 7.6353 118.4422 64.6774 33.2887 177.0628 128 A 4.5223 7.6682 120.6125 50.1645 20.1858 174.4147 129 A 4.1523 7.8522 123.2616 53.3702 19.2586 177.6107 130 G 4.1134 9.0007 111.1089 45.7773 0.0000 174.0710 131 D 4.4064 7.9820 119.5720 54.2051 42.0483 176.8116 132 A 4.1677 8.7801 129.3860 54.9428 18.6256 179.3462 133 G 3.6587 8.1583 103.9382 48.2189 0.0000 175.5308 134 F 4.0873 8.6729 123.4341 60.8370 39.4792 177.0674 135 E 4.0526 8.1429 118.1426 58.9249 29.1770 179.2309 136 K 3.9088 8.1195 120.2182 59.2834 32.2140 178.6773 137 L 3.7835 7.6487 120.5801 58.3415 41.8909 178.9115 138 M 3.8966 7.7438 118.6215 58.0887 31.7632 178.9788 139 S 4.2853 7.6566 116.6827 61.1969 63.0154 176.4126 140 M 3.9672 7.8224 121.3371 58.5299 31.6297 178.9083 141 I 3.5788 7.3564 119.3881 64.5880 37.1000 178.3956 142 C 3.9926 8.1484 117.6103 62.6679 27.7083 176.1834 143 I 3.8474 7.8737 121.0573 64.4385 36.9820 178.2128 144 L 4.0989 7.9354 119.7997 57.5939 41.2476 179.4025 145 L 3.8663 7.8554 117.9566 56.6233 41.7791 178.5484 146 R 4.8067 7.5022 117.0686 56.2010 30.3478 178.1066 147 S 4.2104 7.9482 114.7292 60.9234 63.0027 175.0014 148 A 4.2390 8.2171 124.1954 53.3718 19.1069 176.7342 149 Y 4.1570 7.8720 117.7911 58.2573 37.9285 175.4035 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 P 0.00 4.44 0.00 2.20 2.14 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 2 I 8.19 3.83 1.89 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 1.42 0.68 0.89 0.00 0.00 3 V 8.47 4.54 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 0.86 0.00 0.00 0.90 0.00 0.00 4 D 8.52 4.91 0.00 2.74 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 5 T 7.41 4.67 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 1.20 0.00 0.00 6 G 8.69 3.80 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 0.00 0.00 0.00 7 S 8.34 4.67 0.00 3.75 3.66 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 8 V 7.91 4.45 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 0.75 0.00 0.00 0.88 0.00 0.00 9 A 8.41 4.11 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 10 P 0.00 4.39 0.00 2.03 1.99 0.00 3.65 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 2.01 2.09 0.00 11 L 8.09 4.52 0.00 1.59 1.56 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.28 4.50 0.00 4.00 3.98 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 13 A 8.57 3.96 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 14 A 7.90 3.94 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 15 E 8.18 3.97 0.00 2.18 2.02 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 2.35 2.36 0.00 16 K 8.26 3.96 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.69 7.81 17 T 7.80 3.89 4.44 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 1.24 0.00 0.00 18 K 7.94 4.01 0.00 2.00 1.91 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.71 7.81 19 I 7.98 3.90 2.11 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 1.80 1.00 1.04 0.00 0.00 20 R 8.33 4.08 0.00 2.05 2.08 0.00 3.17 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 21 S 7.85 4.14 0.00 4.11 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 22 A 8.44 4.13 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 23 W 8.91 4.15 0.00 3.62 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 24 A 8.17 4.02 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 25 P 0.00 4.09 0.00 1.97 2.08 0.00 3.85 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 26 V 6.89 3.54 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 0.74 0.00 0.00 0.88 0.00 0.00 27 Y 7.13 3.87 0.00 1.87 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 28 S 7.64 4.16 0.00 4.09 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 29 T 7.48 4.47 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 1.10 0.00 0.00 30 Y 7.48 4.15 0.00 3.15 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 E 7.34 4.20 0.00 1.86 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 1.71 2.01 0.00 32 T 7.53 3.96 4.18 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 1.18 0.00 0.00 33 S 7.92 4.21 0.00 3.88 3.90 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 34 G 8.50 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 0.00 0.00 0.00 35 V 7.40 3.64 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 0.99 0.00 0.00 1.04 0.00 0.00 36 D 8.28 4.36 0.00 2.91 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 37 I 8.10 3.78 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.23 1.03 0.00 0.00 38 L 8.26 4.17 0.00 1.92 1.77 1.10 0.96 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 39 V 8.34 3.58 2.13 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 0.94 0.00 0.00 0.93 0.00 0.00 40 K 8.51 3.96 0.00 2.03 2.06 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 41 F 8.14 4.21 0.00 3.16 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 42 F 8.52 3.75 0.00 2.98 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 43 T 7.89 3.81 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 1.39 0.00 0.00 44 S 7.59 4.54 0.00 4.05 3.98 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 45 T 6.92 4.51 3.54 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 0.00 0.00 0.00 1.24 0.00 0.00 46 P 0.00 4.06 0.00 2.06 2.01 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 47 A 7.97 4.03 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 48 A 7.75 4.10 0.62 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 0.00 0.00 49 Q 7.78 4.25 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 50 E 8.07 4.05 0.00 1.82 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 1.51 1.47 0.00 51 F 7.88 4.52 0.00 3.09 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 52 F 8.16 4.55 0.00 3.08 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 0.00 0.00 0.00 53 P 0.00 4.26 0.00 2.16 2.13 0.00 3.49 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 2.11 2.11 0.00 54 K 7.97 4.27 0.00 1.79 2.18 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.44 7.81 55 F 8.42 5.00 0.00 3.04 2.70 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 56 K 7.86 4.16 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.72 7.81 57 G 9.08 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 58 L 7.56 4.21 0.00 1.78 1.49 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.25 4.68 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 1.30 0.00 0.00 60 T 7.74 4.00 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 61 A 8.53 4.06 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 62 D 7.92 4.23 0.00 2.67 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 63 Q 8.44 4.10 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 L 7.51 3.67 0.00 1.67 1.43 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.64 3.93 0.00 1.72 1.85 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 66 K 7.45 4.30 0.00 1.87 1.82 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.50 7.81 67 S 7.49 4.15 0.00 3.74 3.63 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 68 A 8.60 4.15 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 69 D 7.85 4.51 0.00 2.92 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 70 V 7.63 3.58 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 0.74 0.00 0.00 -0.27 0.00 0.00 71 R 7.90 4.02 0.00 2.15 2.25 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 72 W 8.48 4.71 0.00 3.49 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 73 H 8.55 4.01 0.00 3.59 3.66 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.39 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.12 0.00 2.50 2.29 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 2.83 2.63 0.00 76 R 7.51 3.66 0.00 1.54 1.69 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 77 I 7.67 3.85 1.95 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 1.49 1.42 0.97 0.00 0.00 78 I 8.08 3.94 2.26 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 1.15 0.00 0.00 79 N 8.16 4.55 0.00 2.92 2.80 0.00 0.00 6.80 8.47 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 80 A 7.73 3.92 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 81 V 7.71 3.31 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 0.51 0.00 0.00 0.98 0.00 0.00 82 N 7.93 3.95 0.00 2.88 2.79 0.00 0.00 7.25 9.15 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 83 D 7.78 4.22 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.63 3.97 1.11 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 85 V 7.64 3.25 1.69 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 0.83 0.00 0.00 -0.01 0.00 0.00 86 A 8.03 4.26 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 87 S 7.66 4.63 0.00 3.88 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 88 M 7.51 4.24 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.41 0.00 89 D 7.90 4.64 0.00 2.64 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 90 D 8.25 4.74 0.00 2.56 2.44 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 91 T 7.84 3.88 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 92 E 8.11 3.91 0.00 2.05 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 2.35 2.33 0.00 93 K 8.06 3.93 0.00 1.93 1.89 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.41 7.81 94 M 7.97 3.96 0.00 2.20 1.97 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 2.48 2.49 0.00 95 S 7.85 4.02 0.00 4.03 3.84 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 0.00 0.00 0.00 96 M 7.69 3.93 0.00 2.04 2.21 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 2.83 2.54 0.00 97 K 7.79 3.85 0.00 1.97 1.75 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 98 L 7.71 3.94 0.00 1.75 1.58 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.42 3.92 0.00 1.76 1.93 0.00 3.09 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 100 D 8.00 4.26 0.00 2.91 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 0.00 101 L 7.72 3.99 0.00 1.97 1.81 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.53 4.12 0.00 3.96 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 0.00 103 G 8.02 3.55 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 0.00 0.00 0.00 104 K 7.71 3.62 0.00 1.75 1.03 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.27 1.54 7.81 105 H 8.14 4.27 0.00 3.66 3.85 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.53 3.62 0.30 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 0.00 107 K 8.12 4.07 0.00 1.59 1.75 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.30 7.81 108 S 7.39 4.52 0.00 3.24 3.71 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 0.00 109 F 7.34 4.51 0.00 2.99 2.95 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 0.00 0.00 0.00 110 Q 7.93 3.49 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 111 V 7.68 3.96 1.78 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 0.75 0.00 0.00 1.04 0.00 0.00 112 D 6.91 4.17 0.00 2.29 2.35 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 0.00 113 P 0.00 3.32 0.00 1.71 0.49 0.00 3.47 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.43 0.00 114 Q 7.56 3.85 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 115 Y 7.00 4.28 0.00 3.07 3.28 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 0.00 116 F 7.11 4.41 0.00 3.12 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 0.00 117 K 8.11 4.07 0.00 2.00 2.08 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.49 7.81 118 V 7.71 3.67 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 1.05 0.00 0.00 119 L 8.06 3.76 0.00 0.46 1.33 0.74 0.85 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 0.00 120 A 8.25 4.02 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 0.00 121 A 8.16 4.02 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 0.00 122 V 7.65 3.64 2.34 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 1.21 0.00 0.00 1.23 0.00 0.00 123 I 8.04 3.91 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 1.27 0.00 0.00 124 A 8.34 4.37 1.62 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 0.00 0.00 125 D 8.28 4.34 0.00 2.85 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 0.00 126 T 7.63 4.02 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 1.23 0.00 0.00 127 V 7.64 3.74 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 0.50 0.00 0.00 1.22 0.00 0.00 128 A 7.67 4.52 1.03 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 0.00 129 A 7.85 4.15 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 0.00 130 G 9.00 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 0.00 131 D 7.98 4.41 0.00 2.86 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 0.00 132 A 8.78 4.17 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 0.00 133 G 8.16 3.66 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 0.00 0.00 0.00 134 F 8.67 4.09 0.00 3.32 3.12 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 0.00 135 E 8.14 4.05 0.00 2.25 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 2.42 2.63 0.00 136 K 8.12 3.91 0.00 1.90 1.95 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.40 7.81 137 L 7.65 3.78 0.00 1.48 1.28 0.39 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 138 M 7.74 3.90 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 139 S 7.66 4.29 0.00 4.03 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 0.00 140 M 7.82 3.97 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.51 0.00 141 I 7.36 3.58 1.85 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 1.34 0.61 0.73 0.00 0.00 142 C 8.15 3.99 0.00 2.92 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 0.00 143 I 7.87 3.85 1.94 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 1.47 0.58 0.88 0.00 0.00 144 L 7.94 4.10 0.00 1.72 1.61 0.87 0.34 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 0.00 145 L 7.86 3.87 0.00 1.15 0.32 0.24 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 146 R 7.50 4.81 0.00 1.84 2.00 0.00 3.30 0.00 0.00 3.47 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 147 S 7.95 4.21 0.00 4.03 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 0.00 148 A 8.22 4.24 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 0.00 149 Y 7.87 4.16 0.00 3.18 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