NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9865 8.0544 120.3092 61.6886 32.6969 174.3220 2 H 4.4368 8.7272 122.9877 54.4958 30.3450 172.5922 3 L 4.7516 7.8229 127.1399 52.7586 44.7680 176.7302 4 T 4.0149 8.5326 113.3529 61.2263 70.7488 175.3797 5 A 3.9114 8.5062 123.4154 55.4491 18.2622 179.6342 6 E 3.8249 8.0572 116.9908 59.5414 29.8426 178.7336 7 E 3.8946 8.0404 118.5160 59.3107 29.4072 179.4543 8 K 3.8344 8.2107 118.7606 59.4784 32.0179 179.3185 9 S 4.0528 8.0431 113.3003 61.3483 62.0506 176.1417 10 L 3.9635 7.8478 121.7274 57.6858 41.3089 179.7490 11 V 3.2909 7.6848 117.9927 66.1435 31.5803 178.3445 12 S 4.3327 8.3761 115.3560 61.4190 62.4080 176.8195 13 G 3.7131 8.2189 107.9933 47.8647 0.0000 175.1816 14 L 3.9053 7.7101 121.5537 57.4454 42.2345 178.7051 15 W 4.3718 8.7519 128.6061 60.4764 30.4171 178.1030 16 G 3.7803 8.1884 104.4718 46.8586 0.0000 174.8102 17 K 4.4410 7.8062 118.5173 55.6328 32.9530 177.1233 18 V 3.5663 6.8781 120.0023 62.5031 31.9716 175.1277 19 N 4.4035 8.4548 125.4637 53.3751 37.9448 175.6116 20 V 3.7270 8.0848 119.5564 63.2534 31.9565 177.3455 21 D 4.6064 8.0528 118.9107 55.4232 41.5453 177.4936 22 E 4.4889 7.9620 117.3811 57.4208 31.4766 178.1145 23 V 3.5245 7.6972 118.2980 65.8932 31.4443 178.3886 24 G 3.6852 8.0235 105.1118 47.7936 0.0000 175.8306 25 G 3.6186 8.0108 107.7922 47.4808 0.0000 175.5813 26 E 3.9483 8.3883 120.7209 58.9491 29.4284 179.2508 27 A 3.9203 8.1887 121.0532 55.1118 18.5395 179.4355 28 L 3.9907 8.2950 119.3569 58.1579 42.0763 179.3201 29 G 3.5891 8.3311 105.9598 48.0336 0.0000 175.9169 30 R 3.8916 8.1517 120.9185 58.5302 30.0287 178.7881 31 L 4.0674 8.0682 120.3095 58.4112 42.1861 179.2178 32 L 4.0297 7.8850 119.7391 56.4832 41.1954 179.3468 33 I 3.7942 6.9880 118.7795 63.7856 37.6785 178.0396 34 V 3.4880 7.8547 117.8983 64.3746 32.8104 175.7013 35 Y 3.9209 7.2462 116.1137 54.5689 37.7636 174.3127 36 P 4.9053 0.0000 0.0000 64.3011 31.8832 178.4475 37 W 4.3772 8.0242 116.7259 59.4248 27.5128 177.9415 38 T 4.3581 7.5762 110.7452 64.4999 68.0769 176.3375 39 Q 4.2254 8.1485 121.2883 58.7789 28.3854 178.3144 40 R 3.7954 7.7344 119.3119 59.4767 30.0499 177.7231 41 F 4.3681 7.6080 114.5201 57.9607 39.5784 175.4493 42 F 4.6754 8.1410 118.7603 56.6062 39.5616 176.9176 43 D 4.4237 8.3826 122.3827 57.4322 41.3201 177.3425 44 S 4.4406 8.1977 110.5217 59.3015 63.3317 174.3577 45 F 4.4414 8.5742 119.6352 57.5311 39.7667 177.7977 46 G 3.8416 7.6028 108.2847 44.8575 0.0000 172.7815 47 D 4.4094 8.7372 121.7530 54.9430 41.4137 176.6826 48 L 4.8765 8.3846 124.9388 54.4253 43.2751 177.7422 49 S 4.3437 8.6179 115.7733 60.2743 63.5509 174.7172 50 T 4.7227 7.4139 110.7617 58.3121 72.9986 172.5166 51 P 4.1980 0.0000 0.0000 66.2298 31.4484 178.6705 52 D 4.3298 8.0947 116.6464 57.2547 40.5285 178.5719 53 A 3.9860 7.9158 120.4516 55.0232 18.5525 179.5612 54 V 3.6726 7.8894 116.7368 66.5587 31.4815 178.1642 55 M 4.2156 8.0930 116.6055 57.0552 31.9415 177.7151 56 S 4.7461 7.5877 112.3359 57.1628 64.0940 174.0828 57 N 4.3843 7.5534 122.4298 53.6098 39.4588 174.9398 58 A 3.9864 8.6019 130.7681 55.1438 18.6088 179.0034 59 K 3.7295 8.0131 117.7482 59.3461 32.1919 179.0278 60 V 3.8340 8.2046 118.6470 66.0092 31.5678 178.1724 61 K 3.9493 8.0636 117.8579 59.4201 31.4275 179.2657 62 A 3.9950 8.0792 120.9620 55.5043 18.3288 179.2186 63 H 4.3644 8.9214 117.4137 59.3074 29.8863 177.5841 64 G 3.7249 8.5934 108.0463 47.7932 0.0000 175.5071 65 K 4.0018 8.0547 121.4770 59.2099 32.1856 179.1569 66 K 4.0622 7.7840 118.2046 59.3227 32.0101 179.4954 67 V 3.7153 8.0050 118.6461 66.0108 31.4852 177.8412 68 L 4.3264 8.4776 120.4976 58.3419 41.9566 178.4407 69 N 4.5001 8.5276 117.0842 56.7561 38.9839 176.8305 70 S 4.3162 8.3258 114.7596 61.3176 62.5002 176.1185 71 F 4.1394 8.6780 120.6406 60.7599 38.5747 177.7468 72 S 4.2724 8.7291 114.8160 61.7882 62.4089 176.5395 73 D 4.4443 8.1807 121.0574 57.2297 40.8256 178.7055 74 G 3.8975 8.0557 105.9538 47.8967 0.0000 175.8083 75 L 3.9228 7.7606 120.3355 57.0359 41.6442 178.9922 76 K 4.3084 7.5900 116.3540 57.0169 33.0908 176.4518 77 N 5.1162 7.9779 117.6032 52.4242 39.5915 176.4785 78 L 4.0286 8.0687 119.1773 57.6889 42.1423 178.5205 79 D 4.5958 7.9267 115.8115 55.1087 42.1225 175.6691 80 N 5.0446 7.8905 117.7556 51.6414 39.2118 175.0726 81 L 4.1869 7.8015 122.1848 57.9002 41.8767 179.3968 82 K 4.0981 8.1070 118.2215 59.4762 31.7973 179.4862 83 G 3.6342 7.9366 104.5356 48.0107 0.0000 175.5348 84 T 3.8897 7.7401 117.1213 65.4817 68.6888 175.8773 85 F 4.6507 8.0041 116.9267 57.0360 39.4250 177.3770 86 A 4.0364 7.6751 122.0303 55.3195 18.2128 180.3924 87 K 3.9702 7.9532 116.4431 59.6211 32.2283 179.5249 88 L 4.1267 7.8860 118.8473 57.5910 41.7218 179.2730 89 S 4.2474 8.8085 113.7174 61.2679 62.2534 175.7469 90 E 3.8307 8.2477 122.0399 59.0902 29.3707 178.5349 91 L 3.8905 7.8405 120.1499 58.7297 42.1737 178.8239 92 H 4.2478 8.4508 115.9433 58.6599 28.0753 177.1427 93 C 3.7895 7.8681 120.5575 62.1428 31.2172 175.3392 94 D 4.2396 8.0489 120.0686 56.6467 40.6363 177.7351 95 K 4.1360 7.7023 118.5663 58.4101 32.7961 177.3034 96 L 4.3122 7.7311 116.6359 54.9141 42.2581 176.2978 97 H 4.2092 7.4556 113.1580 56.6433 26.6137 175.1721 98 V 3.5447 8.0858 119.4679 61.7152 32.0437 175.0276 99 D 4.3233 8.7007 127.2758 53.6321 41.8149 174.9939 100 P 3.2359 0.0000 0.0000 65.3313 31.6537 177.9298 101 E 3.8504 7.9404 118.5491 59.4567 29.3232 178.7060 102 N 4.3170 7.9394 116.1758 55.8846 38.4908 177.3739 103 F 4.5068 7.4060 119.7122 60.4875 38.9525 177.7398 104 K 4.0605 8.0491 117.7333 59.3016 31.8513 179.2251 105 L 3.8211 7.5279 119.4078 57.6924 41.4509 179.3221 106 L 4.1161 8.1666 120.3859 58.0192 42.0948 179.0170 107 G 3.8476 8.2049 105.6813 48.2833 0.0000 175.4268 108 N 4.4993 8.3396 119.0757 55.6811 38.4456 177.8570 109 V 3.6323 8.1319 120.0954 65.7915 31.5570 177.6967 110 L 3.8085 8.2525 120.5610 58.1484 41.7686 179.0540 111 V 3.4418 7.6698 117.8735 66.3131 31.3804 177.7311 112 C 4.0282 8.0960 116.3060 62.7799 27.8361 176.3797 113 V 3.5210 7.9170 119.9195 65.8754 31.0737 178.0275 114 L 3.8409 7.9000 118.8123 57.6257 41.3521 179.3291 115 A 3.6677 7.2952 120.6656 55.2686 18.0751 179.0567 116 H 4.0686 8.0442 115.6187 59.8884 29.9947 176.9265 117 H 3.9892 8.2640 116.8907 58.1879 28.9006 177.0041 118 F 4.6229 8.5200 118.0341 55.8982 39.9274 177.3548 119 G 3.8696 8.8637 107.8772 46.3141 0.0000 177.8870 120 K 4.1264 8.9361 123.4207 58.9049 31.9719 177.8650 121 E 4.1245 8.0218 117.6232 59.0694 29.8108 177.7147 122 F 4.5058 8.0167 122.7748 57.0093 37.7881 175.2016 123 T 4.1343 7.3428 115.6018 60.5023 71.2649 173.4138 124 P 4.1679 0.0000 0.0000 65.8694 31.1684 179.0877 125 Q 3.9205 7.8659 116.3815 58.8570 28.7689 178.6235 126 V 3.5123 7.6079 119.2779 65.8211 31.4399 177.7325 127 Q 3.5751 7.8042 119.3679 59.0906 28.5587 177.9939 128 A 3.9682 7.9976 121.4563 55.2777 18.2191 179.4621 129 A 3.8869 7.7614 118.6295 55.6672 18.4126 179.5863 130 Y 3.8945 8.0851 115.1412 61.1233 37.9030 178.7019 131 Q 4.0944 8.6264 119.6488 58.8534 28.7681 178.9086 132 K 3.9983 7.8414 119.3312 59.2431 32.0410 179.5229 133 V 3.4853 7.4887 118.5839 66.2993 31.5307 178.6563 134 V 3.8726 8.2205 112.0560 64.2692 31.3189 178.5275 135 A 4.1214 8.2948 120.9506 54.9457 18.2081 179.9158 136 G 3.4824 8.0580 104.3139 47.9006 0.0000 176.1506 137 V 3.0071 7.8256 120.7193 65.3630 31.3250 177.9331 138 A 3.8365 7.9607 120.5508 55.1429 17.9880 179.1393 139 N 4.2461 8.0788 114.3935 56.7234 39.1930 176.7026 140 A 4.1063 7.9403 122.2331 55.1153 18.2756 179.5280 141 L 3.8150 7.5103 115.7704 56.7048 42.0047 178.4636 142 A 4.5482 7.4892 119.6776 52.7348 18.5905 178.4560 143 H 4.2251 7.9545 118.3740 59.0761 30.0564 176.8457 144 K 4.3411 8.1047 115.7790 57.3639 32.1543 177.5008 145 Y 4.0908 8.0591 117.1389 60.4534 38.1923 175.4140 146 H 4.5561 7.7726 120.2892 55.9268 28.8814 174.8921 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 V 8.05 3.99 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 0.84 0.00 0.00 0.91 0.00 0.00 2 H 8.73 4.44 0.00 3.16 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.82 4.75 0.00 1.50 1.42 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.53 4.01 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 1.20 0.00 0.00 5 A 8.51 3.91 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 6 E 8.06 3.82 0.00 2.02 1.92 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 2.34 2.38 0.00 7 E 8.04 3.89 0.00 2.13 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 2.27 2.30 0.00 8 K 8.21 3.83 0.00 1.90 1.80 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.51 7.81 9 S 8.04 4.05 0.00 3.88 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 10 L 7.85 3.96 0.00 1.85 1.68 0.87 0.86 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 11 V 7.68 3.29 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 0.51 0.00 0.00 0.36 0.00 0.00 12 S 8.38 4.33 0.00 3.94 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 13 G 8.22 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 0.00 0.00 0.00 14 L 7.71 3.91 0.00 1.85 1.88 0.46 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.75 4.37 0.00 3.77 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 16 G 8.19 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 17 K 7.81 4.44 0.00 2.16 2.17 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.63 7.81 18 V 6.88 3.57 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.76 0.00 0.00 19 N 8.45 4.40 0.00 2.67 2.62 0.00 0.00 7.24 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 20 V 8.08 3.73 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 0.68 0.00 0.00 0.90 0.00 0.00 21 D 8.05 4.61 0.00 2.83 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 22 E 7.96 4.49 0.00 1.89 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 2.37 2.22 0.00 23 V 7.70 3.52 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 0.89 0.00 0.00 0.60 0.00 0.00 24 G 8.02 3.69 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 0.00 0.00 0.00 25 G 8.01 3.62 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 0.00 26 E 8.39 3.95 0.00 2.15 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 2.32 2.45 0.00 27 A 8.19 3.92 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 28 L 8.30 3.99 0.00 1.86 1.68 0.82 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.33 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.15 3.89 0.00 1.90 1.93 0.00 3.08 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 31 L 8.07 4.07 0.00 1.90 1.88 0.98 0.59 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 32 L 7.89 4.03 0.00 1.79 1.60 0.57 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 I 6.99 3.79 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.51 0.82 0.00 0.00 34 V 7.85 3.49 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 -0.00 0.00 0.00 0.76 0.00 0.00 35 Y 7.25 3.92 0.00 2.53 1.43 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 36 P 0.00 4.91 0.00 2.28 2.26 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 37 W 8.02 4.38 0.00 3.61 3.58 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 38 T 7.58 4.36 4.45 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 1.08 0.00 0.00 39 Q 8.15 4.23 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 40 R 7.73 3.80 0.00 1.75 1.51 0.00 3.11 0.00 0.00 2.87 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.00 41 F 7.61 4.37 0.00 2.41 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 42 F 8.14 4.68 0.00 2.82 2.32 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 D 8.38 4.42 0.00 2.77 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 44 S 8.20 4.44 0.00 4.14 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 45 F 8.57 4.44 0.00 3.28 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 46 G 7.60 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 0.00 0.00 0.00 47 D 8.74 4.41 0.00 2.65 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 48 L 8.38 4.88 0.00 1.64 1.59 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.62 4.34 0.00 3.99 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 50 T 7.41 4.72 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.14 2.12 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 D 8.09 4.33 0.00 2.67 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 53 A 7.92 3.99 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 54 V 7.89 3.67 2.19 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 1.03 0.00 0.00 0.99 0.00 0.00 55 M 8.09 4.22 0.00 2.01 2.09 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 2.60 2.82 0.00 56 S 7.59 4.75 0.00 4.04 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 57 N 7.55 4.38 0.00 2.98 2.89 0.00 0.00 7.02 9.28 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 58 A 8.60 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.01 3.73 0.00 1.60 1.61 0.00 1.31 0.00 0.00 1.42 0.00 0.00 2.58 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.21 7.81 60 V 8.20 3.83 2.28 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 1.05 0.00 0.00 1.05 0.00 0.00 61 K 8.06 3.95 0.00 2.05 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.62 7.81 62 A 8.08 4.00 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 63 H 8.92 4.36 0.00 3.53 3.71 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 64 G 8.59 3.72 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 0.00 0.00 0.00 65 K 8.05 4.00 0.00 2.01 2.02 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.70 7.81 66 K 7.78 4.06 0.00 2.05 1.89 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.67 7.81 67 V 8.00 3.72 2.36 0.00 0.00 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 1.02 0.00 0.00 68 L 8.48 4.33 0.00 2.00 1.90 0.99 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.53 4.50 0.00 3.08 3.04 0.00 0.00 6.86 6.96 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 70 S 8.33 4.32 0.00 4.14 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 71 F 8.68 4.14 0.00 3.60 3.15 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 72 S 8.73 4.27 0.00 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 0.00 73 D 8.18 4.44 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.06 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 0.00 0.00 0.00 75 L 7.76 3.92 0.00 1.55 1.53 0.36 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.59 4.31 0.00 1.79 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.59 7.81 77 N 7.98 5.12 0.00 2.76 2.67 0.00 0.00 6.87 6.76 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 78 L 8.07 4.03 0.00 1.59 1.69 0.82 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.93 4.60 0.00 2.65 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 80 N 7.89 5.04 0.00 2.69 2.61 0.00 0.00 7.09 6.76 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 81 L 7.80 4.19 0.00 1.75 1.78 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.11 4.10 0.00 1.74 1.76 0.00 1.53 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 83 G 7.94 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 0.00 0.00 0.00 84 T 7.74 3.89 4.06 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 0.66 0.00 0.00 85 F 8.00 4.65 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 86 A 7.68 4.04 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 87 K 7.95 3.97 0.00 1.76 1.86 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 88 L 7.89 4.13 0.00 1.96 1.82 1.01 0.91 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 89 S 8.81 4.25 0.00 3.96 4.08 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 0.00 0.00 0.00 90 E 8.25 3.83 0.00 2.20 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 0.00 2.27 2.39 0.00 91 L 7.84 3.89 0.00 1.83 1.85 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.45 4.25 0.00 3.52 3.77 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.87 3.79 0.00 1.48 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 94 D 8.05 4.24 0.00 2.69 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 95 K 7.70 4.14 0.00 1.67 1.95 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.44 7.81 96 L 7.73 4.31 0.00 1.81 1.61 0.70 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.46 4.21 0.00 3.52 3.49 0.00 5.65 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.09 3.54 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 0.21 0.00 0.00 0.18 0.00 0.00 99 D 8.70 4.32 0.00 2.72 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 0.00 100 P 0.00 3.24 0.00 1.92 1.73 0.00 3.39 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.45 0.00 101 E 7.94 3.85 0.00 1.97 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 2.26 2.37 0.00 102 N 7.94 4.32 0.00 2.60 2.79 0.00 0.00 6.96 7.92 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 0.00 103 F 7.41 4.51 0.00 3.10 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 0.00 104 K 8.05 4.06 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 105 L 7.53 3.82 0.00 1.58 1.07 0.54 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.17 4.12 0.00 1.88 1.84 1.01 1.13 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 0.00 107 G 8.20 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 0.00 108 N 8.34 4.50 0.00 2.95 2.95 0.00 0.00 6.71 7.38 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 0.00 109 V 8.13 3.63 2.28 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 1.14 0.00 0.00 1.15 0.00 0.00 110 L 8.25 3.81 0.00 1.65 1.68 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.67 3.44 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 1.35 0.00 0.00 1.14 0.00 0.00 112 C 8.10 4.03 0.00 3.19 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 0.00 113 V 7.92 3.52 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 0.95 0.00 0.00 114 L 7.90 3.84 0.00 0.99 1.08 0.45 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.30 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.04 4.07 0.00 3.17 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.26 3.99 0.00 2.89 2.60 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.52 4.62 0.00 3.23 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 0.00 119 G 8.86 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 0.00 120 K 8.94 4.13 0.00 1.81 1.94 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 121 E 8.02 4.12 0.00 2.39 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 0.00 2.42 2.35 0.00 122 F 8.02 4.51 0.00 3.04 3.18 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 0.00 123 T 7.34 4.13 4.33 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 1.30 0.00 0.00 124 P 0.00 4.17 0.00 2.14 2.13 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 125 Q 7.87 3.92 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 126 V 7.61 3.51 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 1.00 0.00 0.00 0.88 0.00 0.00 127 Q 7.80 3.58 0.00 1.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 128 A 8.00 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.89 1.26 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 0.00 0.00 0.00 130 Y 8.09 3.89 0.00 3.29 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 0.00 131 Q 8.63 4.09 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 132 K 7.84 4.00 0.00 1.93 1.82 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.60 7.81 133 V 7.49 3.49 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 0.71 0.00 0.00 134 V 8.22 3.87 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 0.97 0.00 0.00 1.13 0.00 0.00 135 A 8.29 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.06 3.48 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 0.00 0.00 0.00 137 V 7.83 3.01 1.86 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 -0.22 0.00 0.00 0.77 0.00 0.00 138 A 7.96 3.84 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 0.00 139 N 8.08 4.25 0.00 2.78 2.97 0.00 0.00 7.23 7.48 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 0.00 140 A 7.94 4.11 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 0.00 141 L 7.51 3.82 0.00 0.82 0.38 0.17 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.49 4.55 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 0.00 143 H 7.95 4.23 0.00 3.27 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.10 4.34 0.00 1.77 1.78 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.69 7.81 145 Y 8.06 4.09 0.00 2.98 2.94 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 0.00 146 H 7.77 4.56 0.00 3.13 3.22 0.00 5.88 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