NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3981 8.2893 118.1917 54.7808 33.1965 175.1132 2 T 4.0865 7.6725 110.1769 61.2833 70.5671 172.4755 3 R 4.6116 10.1209 123.0663 54.4280 33.2388 176.8485 4 R 4.7298 8.6432 123.9418 55.8362 32.0236 175.9644 5 V 4.7825 9.2084 123.3573 60.9712 34.2197 174.3332 6 A 4.8191 9.0365 131.0573 51.8875 19.9770 175.9653 7 I 4.9953 8.9634 122.2910 59.5199 40.6457 175.0659 8 G 4.6260 9.4108 113.8750 44.7854 0.0000 171.2779 9 T 5.8317 8.4350 110.5096 59.6658 72.4568 172.1662 10 D 5.0205 8.1426 120.7812 52.1227 42.2814 176.0785 11 H 4.1431 8.9347 112.9773 58.7164 28.7484 175.7866 12 P 4.2299 0.0000 0.0000 64.7812 31.3924 176.7966 13 A 4.3102 7.5872 120.2077 52.6616 19.3645 178.7408 14 F 4.1537 8.1013 118.2629 60.9631 39.5488 177.0837 15 A 3.9295 8.1807 122.3932 54.1654 18.3972 177.7662 16 I 4.3069 7.5083 108.3365 60.7195 38.1615 177.2564 17 H 4.0305 7.8384 120.3535 59.2073 28.0152 177.3929 18 E 3.5546 7.2661 120.6931 58.7625 29.2515 178.6083 19 N 3.6350 7.6956 116.0727 56.1899 38.6033 177.0783 20 L 3.8582 7.6052 120.0131 57.7618 41.7974 179.6294 21 I 3.6446 7.4474 119.5806 64.3289 36.9834 178.1554 22 L 3.8942 7.7062 121.0152 58.4914 41.8567 178.6674 23 Y 4.3616 7.9850 117.0481 60.9607 37.5178 178.5795 24 V 3.5500 7.6877 118.4079 66.0805 31.9481 177.8917 25 K 4.2020 8.0248 117.8893 59.6624 31.6722 179.2136 26 E 4.0945 8.4224 117.8379 59.0616 29.3964 178.9141 27 A 4.1742 7.7799 119.9274 52.3761 18.8525 177.0019 28 G 4.5799 7.0325 106.7541 44.5219 0.0000 173.8077 29 D 4.5077 8.3146 121.8118 56.5856 40.6662 177.7783 30 E 4.0012 8.0750 116.3157 57.6133 30.1361 175.7408 31 F 5.2693 7.9481 119.4858 56.2146 40.5292 175.4294 32 V 4.4973 9.0408 124.8736 60.2242 33.3751 172.9486 33 P 4.8964 0.0000 0.0000 62.9727 32.3622 176.4557 34 V 4.3326 9.2209 123.3504 61.0743 33.5908 172.8284 35 Y 4.6698 8.5204 129.0845 57.4382 39.6344 174.7993 36 C 4.7198 8.6776 123.0112 59.2599 30.2609 174.8028 37 G 3.6281 5.8702 107.8924 42.7815 0.0000 171.6820 38 P 4.3874 0.0000 0.0000 62.7987 31.5659 176.4748 39 K 4.4680 8.4118 118.0296 57.4673 32.6592 176.3306 40 T 4.0466 6.7843 106.8964 59.3251 71.8135 173.3613 41 A 3.9988 7.9171 122.3341 52.0362 18.6932 177.6122 42 E 3.8848 7.2782 114.6973 56.2497 29.8505 177.2806 43 S 3.8167 8.5291 116.0408 58.7952 62.7393 173.5824 44 V 4.5726 8.1201 119.2767 59.6683 35.7321 174.3515 45 D 4.8160 8.4612 120.7274 52.9974 41.5497 177.1387 46 Y 4.4037 8.8383 124.1747 60.1790 37.5516 176.8965 47 P 4.2455 0.0000 0.0000 65.3214 31.4373 178.1393 48 D 4.2014 7.9088 117.4874 57.3531 40.8060 178.7265 49 F 4.1778 8.1589 117.2020 59.7092 39.2089 177.6993 50 A 4.0754 8.5109 121.0755 55.2902 18.1971 179.5833 51 S 4.0095 8.4089 111.9335 61.4624 62.5821 176.2574 52 R 3.8132 7.7195 120.8635 59.4512 29.8418 178.7213 53 V 3.5871 7.7617 117.3643 65.9714 31.5994 177.7710 54 A 4.0443 8.4599 120.9688 55.2981 18.1762 179.4728 55 E 3.9511 8.6686 117.4525 59.7703 29.5265 179.4143 56 M 4.0627 7.9182 118.2815 58.3617 32.0290 179.0623 57 V 3.6983 7.9536 117.9992 66.0156 31.5579 177.9357 58 A 4.0213 8.1934 119.5469 55.1601 18.3678 179.1222 59 R 4.1069 8.2478 113.6587 56.0728 30.2616 177.2554 60 K 3.9895 7.7601 117.0154 57.2156 30.2185 176.7556 61 E 4.1115 8.2505 121.2708 58.6713 29.4728 177.5571 62 V 4.5845 7.3178 109.1635 59.2466 35.4847 174.9733 63 E 4.0303 8.7120 122.7365 58.4373 30.0717 176.5409 64 F 5.4850 8.2294 116.0000 55.6217 43.7911 174.2488 65 G 4.5933 9.5304 107.2834 44.5053 0.0000 171.8585 66 V 4.8718 9.2695 122.1507 60.7380 34.4958 174.2521 67 L 5.4275 9.0934 127.4940 52.8728 45.4075 175.3637 68 A 5.5009 9.1545 124.4734 49.4173 22.4216 174.7895 69 C 5.6763 7.7255 116.7739 55.8337 33.1926 173.9755 70 G 3.7767 8.9655 104.7958 49.6556 0.0000 175.7450 71 S 4.5104 8.2717 112.2757 56.8868 64.9089 175.0961 72 G 3.9641 8.1175 109.5312 46.0168 0.0000 175.7121 73 I 3.7123 7.8043 121.0655 64.3521 37.1121 178.3032 74 G 3.0778 7.6796 105.9802 48.0167 0.0000 175.2539 75 M 4.1766 7.7619 120.7483 58.0586 32.0660 178.6199 76 S 4.0769 8.0487 113.1542 61.4265 62.3727 176.2761 77 I 3.6850 7.6823 120.7279 64.4039 37.1774 177.9715 78 A 4.1764 8.2689 121.2644 55.2508 18.2593 179.5457 79 A 4.0046 8.2666 119.3421 55.3839 18.2777 179.4581 80 N 4.4903 7.9140 112.9088 55.5493 38.6644 177.2416 81 K 4.2138 7.6430 118.9107 57.1011 32.5855 176.9246 82 V 4.0145 7.3783 120.7625 60.6808 32.1140 173.5083 83 P 4.6169 0.0000 0.0000 64.3110 31.6089 176.8244 84 G 3.9333 9.7695 111.6914 45.0928 0.0000 173.5069 85 V 4.1935 7.2378 119.3549 61.7965 32.6156 175.6248 86 R 4.6878 9.5480 125.8607 54.3877 32.1481 173.2550 87 A 5.1680 9.5372 125.8639 50.1170 20.7716 175.7605 88 A 4.6073 9.0463 125.6246 49.8370 21.3819 175.4367 89 L 4.5283 8.6449 125.6167 55.6798 42.5035 175.7918 90 C 5.1011 8.7903 124.7250 58.2573 30.4932 173.9135 91 H 4.8596 8.6381 115.6676 54.6715 29.5651 172.8530 92 D 4.5261 7.3134 119.3192 51.8816 42.9554 175.1910 93 H 4.0474 8.7043 117.9063 59.5724 29.6236 176.2265 94 Y 3.9423 8.0497 120.9280 60.9873 38.6991 178.0116 95 T 3.7946 8.7574 110.9179 64.5896 68.3562 176.1033 96 A 4.0220 7.9941 123.3916 54.8851 18.3649 179.4644 97 A 3.6700 8.1343 119.4302 55.7179 18.5160 179.8994 98 M 3.7492 7.9382 117.6776 58.1873 31.8303 179.0639 99 S 4.3043 8.2577 114.7763 61.3418 62.8828 176.9302 100 R 3.8227 7.4464 121.1152 58.9682 29.9860 178.6900 101 I 3.7416 7.8736 119.6467 64.4914 36.9160 177.8007 102 H 4.2064 8.5060 114.9831 57.5287 29.3477 176.0144 103 N 4.6182 8.1352 112.5789 52.4559 39.1452 174.1263 104 D 4.1563 8.0140 116.5128 54.2521 39.6934 173.4934 105 A 4.2842 8.1438 120.5421 52.7298 19.1493 177.8080 106 N 5.3332 9.0753 117.9612 52.8794 39.7921 174.3396 107 I 5.2745 7.9796 120.9818 59.5056 41.2454 174.3089 108 V 4.2167 8.0454 126.4678 60.0045 33.4447 174.4910 109 C 5.3628 8.8760 122.3990 58.0678 31.2807 173.4201 110 V 4.7023 8.8206 115.2892 59.5802 36.4425 174.4964 111 G 4.3194 8.2939 109.2603 43.7528 0.0000 174.4012 112 E 4.0681 9.3905 128.1096 58.9492 29.8772 177.9604 113 R 4.2552 8.1752 116.6914 57.2639 30.4740 177.0562 114 T 4.3467 7.7727 107.4934 62.1686 70.4399 174.3491 115 T 4.7384 7.7923 118.6050 60.8767 70.5501 175.1280 116 G 3.8126 8.4505 112.8397 44.7347 0.0000 174.8152 117 V 3.7189 8.2842 114.9449 64.1992 31.6695 178.8462 118 E 4.0562 8.0713 117.9881 58.9296 29.3124 179.2502 119 V 3.5684 7.6414 118.1937 65.7375 31.6080 177.8441 120 I 3.6331 7.8781 119.8040 64.2848 36.9379 178.0455 121 R 2.9508 7.9096 119.7411 59.2700 29.5953 178.0498 122 E 3.8280 7.8060 118.6675 59.2235 29.5326 178.7817 123 I 3.6514 8.0385 120.1713 64.4390 37.1588 178.5244 124 I 3.6332 7.8741 120.6758 64.4045 36.9239 178.5366 125 I 3.5582 7.7319 120.5931 64.6965 36.9652 178.6568 126 T 3.7825 8.0960 116.7269 66.4415 68.0369 176.3679 127 F 3.9118 8.2160 121.7034 61.4543 39.4815 176.9420 128 L 3.3294 7.6112 117.0607 57.4335 41.3523 179.0886 129 Q 4.3482 7.8939 116.7397 56.8933 28.8935 176.2668 130 T 4.2524 7.1212 117.6529 61.6593 69.0427 173.0660 131 P 4.5950 0.0000 0.0000 61.7244 32.4923 175.8111 132 F 5.0240 8.8334 121.6429 57.6245 39.9318 175.6190 133 S 3.9001 7.9348 122.5674 59.5025 62.8633 175.8163 134 G 3.4603 5.3800 106.4321 45.4087 0.0000 173.8715 135 E 4.0351 7.2510 119.4698 55.5406 31.3881 177.1173 136 E 3.9251 8.7273 123.2926 59.7156 29.7121 179.6485 137 R 3.9310 7.8416 115.3464 59.6355 29.4105 178.3794 138 H 4.3519 7.9246 116.4053 58.5784 28.7869 177.6329 139 V 3.7462 8.0321 120.1068 66.0778 31.3542 177.9544 140 R 3.8920 8.1369 118.2690 59.6340 29.9442 178.7083 141 R 3.9638 8.1383 117.7388 59.3703 30.0648 179.1399 142 I 3.7109 8.2547 120.0793 64.3187 37.0033 178.0666 143 E 3.9681 8.5041 120.3916 59.2682 29.4236 179.0915 144 K 4.0086 8.2095 118.5980 59.3019 32.0342 179.4278 145 I 3.7095 7.7954 120.3289 64.3326 36.9558 178.3001 146 R 4.0474 8.0771 119.3630 59.4403 29.8449 178.3890 147 A 3.9821 8.1897 120.6519 55.1247 18.1362 179.5762 148 I 3.6791 7.5238 117.3242 64.5584 37.5277 178.0638 149 E 4.1322 8.2098 119.0394 59.5732 29.1487 179.2339 150 A 4.0476 7.9808 119.5131 55.2429 18.5507 179.4316 151 S 4.2108 8.1459 110.5333 60.3856 63.1088 174.1526 152 H 4.4920 7.9799 124.8540 56.0036 28.9142 173.6075 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 8.29 4.40 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 2 T 7.67 4.09 4.37 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 1.19 0.00 0.00 3 R 10.12 4.61 0.00 1.71 2.20 0.00 2.92 0.00 0.00 2.58 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 4 R 8.64 4.73 0.00 1.83 1.92 0.00 3.09 0.00 0.00 3.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 5 V 9.21 4.78 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 1.33 0.00 0.00 6 A 9.04 4.82 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 7 I 8.96 5.00 2.15 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 1.24 0.90 1.13 0.00 0.00 8 G 9.41 4.63 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 9 T 8.44 5.83 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 10 D 8.14 5.02 0.00 2.96 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 11 H 8.93 4.14 0.00 3.46 3.79 0.00 5.46 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 12 P 0.00 4.23 0.00 2.17 2.19 0.00 3.68 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.84 0.00 13 A 7.59 4.31 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 14 F 8.10 4.15 0.00 3.09 3.25 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 15 A 8.18 3.93 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 16 I 7.51 4.31 1.80 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 1.40 0.71 0.88 0.00 0.00 17 H 7.84 4.03 0.00 3.20 3.49 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.27 3.55 0.00 1.68 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.67 0.00 19 N 7.70 3.64 0.00 2.65 2.12 0.00 0.00 7.15 6.74 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 20 L 7.61 3.86 0.00 1.76 1.71 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.45 3.64 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.09 0.86 0.00 0.00 22 L 7.71 3.89 0.00 1.59 1.58 0.92 0.83 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 23 Y 7.99 4.36 0.00 2.93 2.84 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 24 V 7.69 3.55 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 0.96 0.00 0.00 0.98 0.00 0.00 25 K 8.02 4.20 0.00 2.10 1.89 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.69 7.81 26 E 8.42 4.09 0.00 2.18 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 2.40 2.62 0.00 27 A 7.78 4.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.03 4.58 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 0.00 0.00 0.00 29 D 8.31 4.51 0.00 2.69 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 30 E 8.07 4.00 0.00 1.86 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 1.47 1.64 0.00 31 F 7.95 5.27 0.00 3.28 3.08 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 32 V 9.04 4.50 2.16 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 1.02 0.00 0.00 0.98 0.00 0.00 33 P 0.00 4.90 0.00 2.19 2.10 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 34 V 9.22 4.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.05 0.00 0.00 35 Y 8.52 4.67 0.00 3.16 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 36 C 8.68 4.72 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.87 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 38 P 0.00 4.39 0.00 2.12 1.71 0.00 3.46 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.56 0.00 39 K 8.41 4.47 0.00 1.78 1.98 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.41 7.81 40 T 6.78 4.05 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 1.12 0.00 0.00 41 A 7.92 4.00 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 42 E 7.28 3.88 0.00 1.98 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 2.27 2.38 0.00 43 S 8.53 3.82 0.00 3.71 3.74 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 44 V 8.12 4.57 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 1.02 0.00 0.00 0.95 0.00 0.00 45 D 8.46 4.82 0.00 2.84 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 46 Y 8.84 4.40 0.00 3.30 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 47 P 0.00 4.25 0.00 1.99 2.01 0.00 3.18 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.38 0.00 48 D 7.91 4.20 0.00 2.61 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 0.00 0.00 0.00 49 F 8.16 4.18 0.00 3.13 3.11 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 50 A 8.51 4.08 1.49 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 51 S 8.41 4.01 0.00 3.89 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 52 R 7.72 3.81 0.00 1.92 1.88 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 53 V 7.76 3.59 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 1.01 0.00 0.00 1.06 0.00 0.00 54 A 8.46 4.04 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 55 E 8.67 3.95 0.00 1.98 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 2.50 2.47 0.00 56 M 7.92 4.06 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.75 0.00 57 V 7.95 3.70 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 1.02 0.00 0.00 1.05 0.00 0.00 58 A 8.19 4.02 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 59 R 8.25 4.11 0.00 1.82 1.98 0.00 3.28 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 60 K 7.76 3.99 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.54 7.81 61 E 8.25 4.11 0.00 2.10 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 2.28 0.00 62 V 7.32 4.58 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 0.76 0.00 0.00 1.05 0.00 0.00 63 E 8.71 4.03 0.00 1.85 1.77 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 1.47 1.84 0.00 64 F 8.23 5.48 0.00 3.15 3.03 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 65 G 9.53 4.59 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 66 V 9.27 4.87 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 1.03 0.00 0.00 0.90 0.00 0.00 67 L 9.09 5.43 0.00 1.56 1.52 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 A 9.15 5.50 1.21 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 0.00 0.00 69 C 7.73 5.68 0.00 3.03 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 G 8.97 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 71 S 8.27 4.51 0.00 3.91 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 72 G 8.12 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 0.00 0.00 0.00 73 I 7.80 3.71 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 1.42 0.56 0.87 0.00 0.00 74 G 7.68 3.08 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 0.00 0.00 0.00 75 M 7.76 4.18 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 76 S 8.05 4.08 0.00 3.94 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 77 I 7.68 3.69 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.96 0.00 0.00 78 A 8.27 4.18 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 79 A 8.27 4.00 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 80 N 7.91 4.49 0.00 2.98 2.91 0.00 0.00 7.10 7.72 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 81 K 7.64 4.21 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.75 1.60 7.81 82 V 7.38 4.01 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 1.08 0.00 0.00 0.98 0.00 0.00 83 P 0.00 4.62 0.00 2.08 1.98 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 84 G 9.77 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 85 V 7.24 4.19 2.37 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 0.86 0.00 0.00 0.95 0.00 0.00 86 R 9.55 4.69 0.00 1.72 1.84 0.00 3.21 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 87 A 9.54 5.17 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 88 A 9.05 4.61 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 89 L 8.64 4.53 0.00 1.64 1.62 0.97 0.97 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 90 C 8.79 5.10 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.64 4.86 0.00 3.23 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 7.31 4.53 0.00 2.86 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 93 H 8.70 4.05 0.00 3.44 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.05 3.94 0.00 3.15 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.76 3.79 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 1.32 0.00 0.00 96 A 7.99 4.02 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 97 A 8.13 3.67 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 98 M 7.94 3.75 0.00 1.68 1.78 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 99 S 8.26 4.30 0.00 4.18 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 0.00 100 R 7.45 3.82 0.00 1.83 1.98 0.00 2.70 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 101 I 7.87 3.74 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.95 0.00 0.00 102 H 8.51 4.21 0.00 3.17 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.14 4.62 0.00 2.92 2.85 0.00 0.00 7.06 8.06 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 0.00 104 D 8.01 4.16 0.00 1.58 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 0.00 0.00 0.00 105 A 8.14 4.28 1.53 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 0.00 0.00 106 N 9.08 5.33 0.00 2.91 3.05 0.00 0.00 6.60 7.66 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 0.00 107 I 7.98 5.27 1.92 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 1.49 0.73 0.90 0.00 0.00 108 V 8.05 4.22 0.67 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 0.35 0.00 0.00 0.52 0.00 0.00 109 C 8.88 5.36 0.00 2.79 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 0.00 110 V 8.82 4.70 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 0.77 0.00 0.00 0.91 0.00 0.00 111 G 8.29 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 0.00 0.00 0.00 0.00 112 E 9.39 4.07 0.00 1.88 1.98 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 2.32 2.42 0.00 113 R 8.18 4.26 0.00 1.94 1.95 0.00 3.34 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 114 T 7.77 4.35 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 1.19 0.00 0.00 115 T 7.79 4.74 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 116 G 8.45 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 0.00 117 V 8.28 3.72 2.26 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 0.82 0.00 0.00 0.99 0.00 0.00 118 E 8.07 4.06 0.00 1.92 1.91 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 2.38 2.27 0.00 119 V 7.64 3.57 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 1.13 0.00 0.00 0.91 0.00 0.00 120 I 7.88 3.63 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 1.01 0.00 0.00 121 R 7.91 2.95 0.00 0.67 1.58 0.00 2.73 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.00 122 E 7.81 3.83 0.00 2.11 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 0.00 2.33 2.34 0.00 123 I 8.04 3.65 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.58 0.83 0.00 0.00 124 I 7.87 3.63 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 1.46 0.62 0.89 0.00 0.00 125 I 7.73 3.56 1.80 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 1.47 0.61 0.89 0.00 0.00 126 T 8.10 3.78 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 1.03 0.00 0.00 127 F 8.22 3.91 0.00 2.96 3.07 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 0.00 128 L 7.61 3.33 0.00 0.94 0.13 0.48 0.25 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 0.00 129 Q 7.89 4.35 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 130 T 7.12 4.25 4.12 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 1.20 0.00 0.00 131 P 0.00 4.59 0.00 2.20 2.08 0.00 3.76 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 1.98 1.96 0.00 132 F 8.83 5.02 0.00 3.03 3.04 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 0.00 133 S 7.93 3.90 0.00 4.00 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 0.00 134 G 5.38 3.46 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 0.00 0.00 0.00 0.00 135 E 7.25 4.04 0.00 1.90 1.74 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 2.24 2.18 0.00 136 E 8.73 3.93 0.00 2.00 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 2.38 2.38 0.00 137 R 7.84 3.93 0.00 2.04 2.12 0.00 2.96 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 138 H 7.92 4.35 0.00 3.55 3.87 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.03 3.75 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 1.15 0.00 0.00 1.20 0.00 0.00 140 R 8.14 3.89 0.00 1.95 2.10 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 141 R 8.14 3.96 0.00 2.11 2.01 0.00 3.35 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 142 I 8.25 3.71 1.97 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.83 0.00 0.00 143 E 8.50 3.97 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 144 K 8.21 4.01 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 145 I 7.80 3.71 2.03 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 1.42 0.73 0.92 0.00 0.00 146 R 8.08 4.05 0.00 1.89 2.14 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 147 A 8.19 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.52 3.68 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 0.97 0.00 0.00 149 E 8.21 4.13 0.00 2.24 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 2.34 2.55 0.00 150 A 7.98 4.05 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 0.00 151 S 8.15 4.21 0.00 3.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 7.98 4.49 0.00 3.16 3.20 0.00 5.69 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