NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3603 8.1627 120.3227 54.8133 33.0054 172.9840 2 H 4.0231 8.2047 128.5337 55.2447 30.5080 173.0909 3 L 4.6092 10.8200 121.4939 53.9139 44.3755 177.8087 4 T 4.2193 8.3446 119.7103 62.1149 70.7477 174.1248 5 P 4.5818 0.0000 0.0000 66.0746 31.4182 178.7272 6 E 4.2470 8.0799 114.5913 58.2963 29.4341 178.4746 7 E 3.9326 7.7924 119.9543 59.1109 30.0473 178.1219 8 K 3.7369 8.7425 119.6580 60.0058 32.0870 179.1720 9 S 4.1629 8.6421 112.7625 60.8640 61.7978 176.0075 10 A 3.9990 7.6799 123.7375 54.8522 18.0822 179.7427 11 V 3.4239 7.8977 116.8712 66.3938 31.5075 178.1974 12 T 3.9178 7.8626 115.1499 66.7912 68.1577 176.2874 13 A 4.0449 7.5594 120.8368 55.2773 18.7203 179.1508 14 L 3.9303 7.8027 118.2187 57.9611 42.1777 178.9717 15 W 4.4944 8.5587 128.4038 59.9958 30.4701 177.5932 16 G 3.8845 7.9701 104.0950 45.9803 0.0000 173.9788 17 K 4.4699 7.7923 118.9108 55.9560 33.1767 176.3988 18 V 3.6651 7.1928 120.2409 62.0781 32.0073 175.8648 19 N 4.4773 8.2981 125.4589 52.2815 38.8190 175.6148 20 V 3.4104 8.0436 127.3945 66.0983 31.6706 176.7921 21 D 4.3794 8.1511 117.9384 57.8646 40.6974 179.1300 22 E 3.9110 8.8497 118.7830 59.4498 29.4328 179.7093 23 V 3.5242 7.9034 118.5465 65.8692 31.5780 178.3110 24 G 3.6813 8.6547 106.0853 47.7174 0.0000 175.9534 25 G 3.6146 7.8656 108.1480 47.4206 0.0000 175.8844 26 E 3.9216 8.2651 120.7006 58.9409 29.5776 179.0793 27 A 3.9182 8.1707 121.1753 55.2529 18.3803 179.5483 28 L 3.9916 8.0250 118.9242 58.0946 42.0734 179.3506 29 G 3.5503 8.0635 105.8694 47.8090 0.0000 175.9841 30 R 3.9048 8.1028 120.4804 58.7179 30.0677 178.7055 31 L 4.0277 7.8139 120.0358 58.4292 41.9531 179.2162 32 L 4.1069 7.6596 120.0836 56.6839 41.2452 179.5153 33 V 3.6454 7.1538 117.2341 65.5466 31.7757 177.9294 34 V 3.5979 8.0479 117.0766 64.2008 32.7725 175.5621 35 Y 3.8974 7.3603 116.5124 54.0113 37.8475 174.0976 36 P 4.6490 0.0000 0.0000 64.1886 31.5168 178.1457 37 W 4.4499 7.8789 116.4062 59.0195 28.3316 177.7091 38 T 4.2345 7.7522 110.7715 63.9582 68.2107 175.9232 39 Q 4.5333 8.1326 121.4216 57.7855 28.4777 178.0067 40 R 3.8150 7.5927 116.8706 58.2149 29.4301 177.6689 41 F 4.4054 7.1582 116.2432 57.0431 39.5408 175.5957 42 F 4.6727 7.9303 118.8269 56.7169 39.9835 177.4301 43 E 4.0075 8.5125 122.3372 59.6807 29.4313 179.4716 44 S 4.5240 8.0176 110.0859 59.6411 63.5633 174.9914 45 F 4.4730 8.0887 120.2870 59.1209 39.6642 175.9424 46 G 4.0348 7.7255 105.9697 43.7516 0.0000 173.7724 47 D 4.4864 8.5886 124.0523 54.6413 41.4772 176.2689 48 L 4.9140 8.2929 126.5430 54.4997 43.5284 177.8484 49 S 4.2829 8.6327 116.7171 60.8814 63.1688 174.6644 50 T 4.7436 7.4242 109.4755 57.9579 73.1295 172.6934 51 P 4.1919 0.0000 0.0000 65.9086 31.3287 178.5165 52 D 4.2829 8.1053 116.6779 57.4641 40.6874 178.3961 53 A 3.9932 7.8494 120.9842 55.4114 18.0833 179.9486 54 V 3.5372 7.6626 115.4237 66.4997 31.7372 177.9826 55 M 4.2761 8.4068 117.8100 58.1660 31.8337 178.6617 56 G 3.8017 8.0112 105.0613 45.7958 0.0000 173.5910 57 N 4.3160 7.5638 120.9688 53.1896 39.3168 173.8005 58 P 4.2700 0.0000 0.0000 65.7928 31.4531 178.6667 59 K 3.6721 7.9241 117.8435 58.6500 31.8027 179.4103 60 V 3.6268 8.0238 118.8187 66.0561 31.6097 178.2268 61 K 3.8818 8.0651 117.9867 59.4587 31.7216 179.2264 62 A 4.0400 8.2801 121.3746 55.1913 18.2939 179.1655 63 H 4.4830 8.5836 117.3278 59.0848 29.9269 177.8129 64 G 3.5318 8.3555 108.1587 47.5730 0.0000 175.6574 65 K 4.0103 8.0343 122.0545 58.8954 32.2867 178.9586 66 K 3.9432 7.8964 120.1406 59.4964 32.2083 178.7755 67 V 3.6460 7.8851 118.6425 66.2696 31.4024 177.7284 68 L 4.3185 8.2187 119.4298 57.4141 41.8934 179.0231 69 G 3.6999 8.1298 106.0279 47.9367 0.0000 175.6300 70 A 4.2208 8.1594 123.1116 54.5585 18.2187 179.3911 71 F 4.1902 8.3738 118.7608 61.5224 39.6609 176.9924 72 S 4.3116 9.0431 112.9961 61.8006 62.3947 175.8744 73 D 4.4896 8.3492 121.5730 57.3741 40.3939 179.1276 74 G 3.4445 7.9043 105.8235 47.4583 0.0000 175.1015 75 L 3.9076 7.6127 118.8134 55.8861 41.7134 178.1068 76 A 4.3202 7.5782 119.6937 52.7655 19.4048 177.2359 77 H 4.7983 7.9252 115.6832 55.0509 29.6102 176.6994 78 L 3.8585 8.0375 121.5824 58.0770 41.5937 178.7521 79 D 4.4850 7.8846 116.3306 56.1122 41.0940 176.0996 80 N 4.9242 8.1029 117.8609 50.8451 39.1533 174.3287 81 L 3.9396 7.9151 122.6327 57.0821 42.2795 178.5934 82 K 4.0130 8.0789 118.1547 59.5045 31.8268 179.3097 83 G 3.6939 8.1671 104.2549 48.2156 0.0000 175.3961 84 T 3.7908 7.1957 116.6863 65.6289 68.6759 175.7845 85 F 4.9372 7.6606 116.3492 57.0802 39.2700 177.2678 86 A 4.0707 7.5852 122.0384 55.8591 18.1968 180.3620 87 T 3.9988 7.9059 107.2233 64.4327 69.1064 176.5992 88 L 4.0513 7.8804 123.1711 57.8816 42.2200 178.4560 89 S 4.3915 8.5717 114.8018 60.9832 62.3964 175.8992 90 E 3.8212 8.1748 121.0536 59.4252 29.2101 179.2602 91 L 3.9230 8.0119 120.1033 58.4898 42.1617 178.6880 92 H 4.0730 8.3458 116.1706 58.8340 28.7985 177.4225 93 C 3.6706 7.7751 120.2746 62.3644 31.1716 175.1249 94 D 4.4982 8.2294 118.6790 55.6799 40.7994 177.5923 95 K 4.2393 7.8950 117.4973 57.3867 33.2825 177.4991 96 L 4.1885 7.6990 116.5680 54.7263 42.5955 175.9455 97 H 4.1663 7.1441 113.6717 56.6516 26.6193 175.3847 98 V 3.8242 7.8332 118.0290 60.8622 32.2987 175.2854 99 A 4.1048 8.4156 130.4916 51.6115 18.9857 176.3441 100 P 3.3874 0.0000 0.0000 64.3628 31.4473 178.8628 101 E 3.9235 7.9062 116.2971 59.0276 29.3831 178.6703 102 N 4.2887 7.6016 117.6438 56.1193 38.3249 177.1678 103 F 4.5354 7.9264 119.6923 60.2510 38.9635 178.1409 104 R 3.9828 7.9237 117.5529 59.0394 30.0374 178.4815 105 L 3.7762 7.6901 118.7446 57.9716 41.5908 179.5648 106 L 4.0933 8.0583 120.0346 57.8162 41.9343 179.2952 107 G 3.5540 7.8324 105.9798 47.8264 0.0000 175.4861 108 N 4.4111 8.2006 119.3138 55.9332 38.5791 177.6843 109 V 3.6060 7.9787 119.6291 65.8630 31.5684 177.5022 110 L 3.8535 8.4035 120.5286 58.5105 41.8260 179.2879 111 V 3.5570 7.9796 117.8142 66.1409 31.3681 177.7869 112 C 4.1336 7.9762 116.1803 62.6627 27.9398 176.2829 113 V 3.5107 7.7168 119.9039 65.8781 31.1467 178.0893 114 L 3.8307 8.0038 118.9023 57.5794 41.3112 179.4543 115 A 3.7041 7.2726 120.7159 55.2104 18.0882 179.0812 116 H 3.9714 8.0889 115.9349 59.6540 29.9239 176.8038 117 H 4.2117 7.9798 117.0191 57.7659 29.0524 176.7795 118 F 4.8367 8.3688 117.4922 55.1871 39.9253 177.9796 119 G 3.8797 8.8335 108.5083 45.9835 0.0000 175.4201 120 K 3.8937 9.3178 121.4437 59.3855 31.7813 177.4423 121 E 4.0407 8.1765 118.1229 58.7130 30.2141 177.0924 122 F 4.5800 8.4599 123.6627 57.1733 38.0592 175.0763 123 T 4.1825 7.2738 114.9387 60.5694 71.4108 173.3443 124 P 4.1906 0.0000 0.0000 65.6227 31.4155 177.1653 125 P 4.2019 0.0000 0.0000 65.5602 31.3044 178.8991 126 V 3.5661 7.3390 115.7429 65.7102 31.2701 177.9420 127 Q 3.5656 8.0409 119.6727 58.9460 29.0440 177.8967 128 A 4.0153 7.8978 121.5218 55.2379 18.4809 179.4853 129 A 3.9063 7.9116 118.9036 55.5367 18.3704 179.5455 130 Y 3.8185 7.8727 114.8882 61.1396 37.9267 178.5457 131 Q 4.1598 8.7362 119.5914 58.8340 28.8105 179.0527 132 K 3.9520 8.0058 119.1975 59.3847 32.1067 179.4708 133 V 3.5033 7.5720 118.1528 66.1396 31.4490 178.2202 134 V 3.8184 8.3789 118.0970 66.0622 31.3542 177.8593 135 A 4.1648 8.2698 120.8187 54.8776 18.1081 179.9326 136 G 3.5021 8.2268 104.4346 47.9052 0.0000 176.1617 137 V 3.5451 8.4741 121.0921 65.5455 31.6159 177.8905 138 A 3.8656 8.1280 120.4839 55.3609 18.0262 179.3701 139 N 4.3132 8.1147 113.5399 56.3953 38.8594 177.2542 140 A 4.1778 8.4058 122.6344 55.0796 18.1108 179.6949 141 L 3.8036 8.1832 117.3681 56.9138 41.4891 178.5046 142 A 4.6019 7.7387 119.0371 52.6069 19.1026 178.2290 143 H 4.2394 8.0686 117.1068 58.7826 30.0327 175.8673 144 K 4.2646 8.1415 117.3121 56.5768 32.3431 176.5090 145 Y 4.0534 8.1316 118.8990 58.0909 38.3129 175.6434 146 H 4.5392 8.3452 118.9928 55.9026 28.7438 173.0409 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 8.16 4.36 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 2 H 8.20 4.02 0.00 3.16 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 10.82 4.61 0.00 1.69 1.49 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.34 4.22 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 5 P 0.00 4.58 0.00 2.12 2.09 0.00 3.55 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 2.09 2.13 0.00 6 E 8.08 4.25 0.00 2.13 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 2.32 0.00 7 E 7.79 3.93 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 8 K 8.74 3.74 0.00 1.81 1.83 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.49 7.81 9 S 8.64 4.16 0.00 3.82 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 10 A 7.68 4.00 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 11 V 7.90 3.42 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 0.67 0.00 0.00 0.43 0.00 0.00 12 T 7.86 3.92 4.38 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 1.26 0.00 0.00 13 A 7.56 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 14 L 7.80 3.93 0.00 1.97 1.92 0.64 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.56 4.49 0.00 3.84 3.34 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 16 G 7.97 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 17 K 7.79 4.47 0.00 1.96 2.01 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.35 7.81 18 V 7.19 3.67 1.20 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 0.09 0.00 0.00 0.82 0.00 0.00 19 N 8.30 4.48 0.00 2.71 2.60 0.00 0.00 6.84 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 8.04 3.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.87 0.00 0.00 21 D 8.15 4.38 0.00 2.93 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 22 E 8.85 3.91 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 23 V 7.90 3.52 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 1.00 0.00 0.00 0.62 0.00 0.00 24 G 8.65 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 0.00 0.00 0.00 25 G 7.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.27 3.92 0.00 2.12 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 2.25 2.25 0.00 27 A 8.17 3.92 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 28 L 8.03 3.99 0.00 1.72 1.59 0.89 0.81 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 29 G 8.06 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 30 R 8.10 3.90 0.00 1.93 1.94 0.00 3.08 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 L 7.81 4.03 0.00 1.89 1.87 0.93 0.65 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 7.66 4.11 0.00 1.76 1.69 0.62 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.15 3.65 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 0.73 0.00 0.00 0.91 0.00 0.00 34 V 8.05 3.60 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 -0.18 0.00 0.00 0.81 0.00 0.00 35 Y 7.36 3.90 0.00 2.57 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 4.65 0.00 2.36 2.33 0.00 3.85 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 2.21 1.90 0.00 37 W 7.88 4.45 0.00 3.57 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 38 T 7.75 4.23 4.39 0.00 0.00 0.00 0.00 0.00 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 39 Q 8.13 4.53 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 40 R 7.59 3.81 0.00 1.60 1.97 0.00 2.83 0.00 0.00 2.49 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 41 F 7.16 4.41 0.00 1.92 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 0.00 0.00 0.00 0.00 42 F 7.93 4.67 0.00 2.86 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 0.00 0.00 0.00 0.00 43 E 8.51 4.01 0.00 2.00 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 2.35 2.23 0.00 44 S 8.02 4.52 0.00 4.11 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 45 F 8.09 4.47 0.00 3.08 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 46 G 7.73 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 0.00 0.00 0.00 0.00 47 D 8.59 4.49 0.00 2.65 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 48 L 8.29 4.91 0.00 1.65 1.60 1.00 1.00 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 8.63 4.28 0.00 4.00 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 7.42 4.74 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.15 2.12 0.00 3.59 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 2.09 2.16 0.00 52 D 8.11 4.28 0.00 2.67 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 53 A 7.85 3.99 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 54 V 7.66 3.54 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 0.90 0.00 0.00 0.95 0.00 0.00 55 M 8.41 4.28 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 56 G 8.01 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 57 N 7.56 4.32 0.00 2.83 2.88 0.00 0.00 6.80 8.21 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 58 P 0.00 4.27 0.00 2.30 2.24 0.00 3.43 0.00 0.00 3.82 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 59 K 7.92 3.67 0.00 1.49 0.74 0.00 1.32 0.00 0.00 1.40 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.25 7.81 60 V 8.02 3.63 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 1.05 0.00 0.00 1.05 0.00 0.00 61 K 8.07 3.88 0.00 1.94 1.81 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.57 7.81 62 A 8.28 4.04 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 63 H 8.58 4.48 0.00 3.51 3.50 0.00 5.79 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 8.36 3.53 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 0.00 65 K 8.03 4.01 0.00 1.87 2.00 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.56 7.81 66 K 7.90 3.94 0.00 2.02 2.11 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.53 7.81 67 V 7.89 3.65 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 1.02 0.00 0.00 0.90 0.00 0.00 68 L 8.22 4.32 0.00 2.05 1.82 0.86 1.46 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 69 G 8.13 3.70 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 0.00 0.00 0.00 70 A 8.16 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.37 4.19 0.00 3.12 3.36 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 72 S 9.04 4.31 0.00 4.62 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 0.00 73 D 8.35 4.49 0.00 2.76 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 74 G 7.90 3.44 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 0.00 75 L 7.61 3.91 0.00 1.43 1.44 -0.47 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.58 4.32 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 77 H 7.93 4.80 0.00 3.00 3.14 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.04 3.86 0.00 1.53 1.64 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.88 4.48 0.00 2.62 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 80 N 8.10 4.92 0.00 2.68 2.58 0.00 0.00 7.04 7.49 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 81 L 7.92 3.94 0.00 1.72 1.75 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.08 4.01 0.00 1.77 1.79 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.37 7.81 83 G 8.17 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 84 T 7.20 3.79 3.47 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 0.00 0.00 0.00 0.56 0.00 0.00 85 F 7.66 4.94 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.59 4.07 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 87 T 7.91 4.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 88 L 7.88 4.05 0.00 2.07 1.78 1.04 1.13 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 89 S 8.57 4.39 0.00 3.96 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 90 E 8.17 3.82 0.00 2.22 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 2.28 2.31 0.00 91 L 8.01 3.92 0.00 1.78 1.68 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.35 4.07 0.00 3.75 3.75 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.78 3.67 0.00 1.23 2.25 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 94 D 8.23 4.50 0.00 2.64 2.66 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 95 K 7.90 4.24 0.00 1.76 1.79 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 96 L 7.70 4.19 0.00 1.69 1.61 0.69 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.14 4.17 0.00 3.49 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.83 3.82 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 0.13 0.00 0.00 0.41 0.00 0.00 99 A 8.42 4.10 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 0.00 100 P 0.00 3.39 0.00 1.97 1.86 0.00 3.36 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 1.78 1.24 0.00 101 E 7.91 3.92 0.00 2.12 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 0.00 2.34 2.36 0.00 102 N 7.60 4.29 0.00 2.44 2.69 0.00 0.00 6.85 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 0.00 103 F 7.93 4.54 0.00 3.07 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 0.00 104 R 7.92 3.98 0.00 2.00 1.97 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 105 L 7.69 3.78 0.00 1.71 1.35 0.59 -0.09 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 8.06 4.09 0.00 1.79 1.70 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.83 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 0.00 108 N 8.20 4.41 0.00 3.03 2.95 0.00 0.00 6.70 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.98 3.61 2.23 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 1.01 0.00 0.00 1.12 0.00 0.00 110 L 8.40 3.85 0.00 1.70 1.77 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.98 3.56 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 1.27 0.00 0.00 1.18 0.00 0.00 112 C 7.98 4.13 0.00 3.19 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 0.00 113 V 7.72 3.51 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 114 L 8.00 3.83 0.00 0.91 1.25 0.72 0.79 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 0.00 115 A 7.27 3.70 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 0.00 116 H 8.09 3.97 0.00 3.20 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.98 4.21 0.00 2.67 2.57 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.37 4.84 0.00 3.31 3.10 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 0.00 119 G 8.83 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 0.00 120 K 9.32 3.89 0.00 1.81 1.96 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.44 7.81 121 E 8.18 4.04 0.00 2.20 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 0.00 2.33 2.29 0.00 122 F 8.46 4.58 0.00 3.01 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 0.00 123 T 7.27 4.18 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 1.33 0.00 0.00 124 P 0.00 4.19 0.00 2.16 2.16 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.48 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 126 V 7.34 3.57 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 127 Q 8.04 3.57 0.00 1.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 128 A 7.90 4.02 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 0.00 129 A 7.91 3.91 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 0.00 130 Y 7.87 3.82 0.00 3.32 3.29 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 0.00 131 Q 8.74 4.16 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 132 K 8.01 3.95 0.00 1.97 1.83 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 133 V 7.57 3.50 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 0.85 0.00 0.00 0.75 0.00 0.00 134 V 8.38 3.82 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 1.05 0.00 0.00 1.13 0.00 0.00 135 A 8.27 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 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 0.00 137 V 8.47 3.55 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 0.85 0.00 0.00 0.74 0.00 0.00 138 A 8.13 3.87 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 0.00 139 N 8.11 4.31 0.00 2.84 2.91 0.00 0.00 7.06 6.95 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 0.00 140 A 8.41 4.18 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 0.00 141 L 8.18 3.80 0.00 1.14 0.58 -0.19 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.74 4.60 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 0.00 143 H 8.07 4.24 0.00 3.34 3.59 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.14 4.26 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.71 7.81 145 Y 8.13 4.05 0.00 3.04 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 8.35 4.54 0.00 3.16 3.23 0.00 5.75 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