NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4666 8.3044 118.1949 55.1933 32.5684 174.4808 1 V 4.2784 7.9335 120.0388 60.9508 34.6223 173.0677 2 L 4.3090 8.3113 127.2488 54.0684 43.5518 176.8568 3 S 4.5636 8.7386 117.3673 57.6106 65.4248 175.1530 4 E 4.2974 8.7881 122.3962 59.3903 29.4534 178.9006 5 G 3.6671 8.1222 105.3875 47.9069 0.0000 175.3749 6 E 3.9237 8.2132 120.9633 58.9297 29.4595 179.4311 7 W 4.3178 8.1162 118.9853 59.9005 29.0409 178.5543 8 Q 4.1794 8.5633 118.4049 59.0456 28.0126 178.8966 9 L 4.0873 7.9223 119.5756 57.6063 41.6138 179.7883 10 V 3.7283 7.9228 118.2697 66.2324 31.6181 178.2189 11 L 4.3091 8.6821 118.8400 57.5212 41.1123 179.0484 12 H 4.2698 8.5740 119.1177 59.3125 29.9107 177.7240 13 V 3.4386 7.8161 120.9663 64.3677 31.2637 178.1274 14 W 3.9277 8.4997 128.9501 60.1120 30.2651 177.7713 15 A 3.9823 7.9613 120.1819 54.9215 18.0425 179.4931 16 K 3.9473 7.3475 116.8773 59.4139 32.1352 179.5964 17 V 2.8392 7.1740 118.4622 65.7721 31.0217 177.6471 18 E 3.8907 7.7732 116.3753 58.0835 29.2974 178.5809 19 A 4.1802 7.5282 120.6617 53.9328 20.0623 177.5939 20 D 4.6499 7.8200 116.6713 51.9814 42.4259 175.4976 21 V 3.4336 7.8814 122.9688 65.5427 32.0646 176.7456 22 A 4.0365 7.9838 120.1617 55.0871 18.2995 179.6551 23 G 3.8433 8.1908 105.5438 47.8693 0.0000 175.7235 24 H 4.2064 8.2727 118.9591 58.2605 28.6121 178.1954 25 G 3.5469 8.3226 107.9295 47.7229 0.0000 175.7812 26 Q 3.8779 8.0680 120.4592 58.8749 28.7700 178.6179 27 D 4.2764 7.9579 119.7460 57.3947 40.7544 179.1533 28 I 3.6500 7.7784 120.1408 64.4392 37.1082 178.5691 29 L 3.4697 7.8102 119.8399 57.5201 41.2271 179.7202 30 I 3.6002 7.6993 119.9915 64.1976 36.9342 178.4018 31 R 3.7729 7.9651 119.6481 59.1294 29.7950 178.2704 32 L 3.8998 7.8331 120.1715 58.3908 42.0075 179.1224 33 F 4.5342 7.8688 117.7280 60.4120 38.5177 177.9476 34 K 4.0228 8.1150 117.8028 59.5352 32.0504 179.3349 35 S 4.2656 8.1048 114.5235 60.3918 64.1744 174.5871 36 H 4.6786 8.2256 118.3492 51.8257 29.5506 171.6855 37 P 4.6184 0.0000 0.0000 64.7013 31.2806 177.5445 38 E 4.1332 8.2266 115.9387 59.3281 29.4670 179.1096 39 T 3.7544 8.2004 111.4004 64.4357 68.8168 176.3672 40 L 3.7258 8.0423 123.1833 57.7688 41.7657 178.5924 41 E 4.1108 7.8324 117.5168 58.6279 29.4359 178.6477 42 K 4.4716 8.0305 117.2939 56.9564 32.8645 177.5345 43 F 4.6174 8.2089 119.2908 55.5613 39.0204 175.7607 44 D 4.3975 8.5319 124.3083 56.9985 41.0347 178.5537 45 R 3.8438 7.8818 118.1970 58.1690 30.3547 176.5737 46 F 5.0800 7.6909 113.5555 56.6262 40.7455 176.4275 47 K 4.1037 8.3001 120.2767 58.8167 32.3689 177.6948 48 H 4.4190 8.0951 114.6221 57.3834 29.1214 175.6945 49 L 4.0626 7.4359 121.2169 55.0574 41.6076 176.9533 50 K 4.2635 9.2039 124.0234 57.6670 33.1739 177.1367 51 T 4.7431 7.3093 107.4759 58.8800 73.2789 174.2502 52 E 3.9329 8.6425 120.8266 59.1867 29.6380 178.5649 53 A 3.9760 7.9131 120.4791 55.2894 18.3213 179.3265 54 E 3.9546 7.9235 115.8237 59.6610 29.8207 179.2211 55 M 4.1715 8.0293 118.7999 58.4287 31.8352 178.9907 56 K 3.9730 8.2770 117.5668 59.1284 32.3005 178.6245 57 A 4.4288 7.7275 118.7236 52.2767 18.8963 177.7876 58 S 4.3162 7.5509 112.6645 57.3712 62.8555 174.0360 59 E 3.9787 8.7565 131.1262 59.2632 29.5057 177.9649 60 D 4.4189 8.1358 117.8673 57.2780 41.3350 177.8418 61 L 3.3838 8.1631 120.9627 57.6138 42.0050 178.8071 62 K 3.8552 8.0541 119.7371 59.3897 32.1916 178.9037 63 K 3.9785 8.3340 118.9632 59.8579 31.9210 178.8362 64 H 4.4366 8.6531 118.6525 59.1885 29.7850 177.4934 65 G 3.5533 8.4070 107.9596 47.6675 0.0000 175.8649 66 V 3.5996 7.7807 120.4243 66.0998 31.5635 178.2248 67 T 3.8735 7.8455 115.3968 66.5819 68.3114 176.7281 68 V 3.5602 7.9977 120.2716 66.2296 31.5932 178.2288 69 L 4.2487 8.1185 118.5674 57.9218 41.3885 179.7431 70 T 3.9958 8.2896 116.0242 66.4805 68.3616 176.6348 71 A 3.9905 8.0623 122.8205 55.0880 18.3452 179.4962 72 L 3.6843 8.1175 119.0527 57.9680 42.0303 179.3981 73 G 3.2243 8.5086 105.9836 47.5613 0.0000 175.5464 74 A 3.9557 7.7537 122.2445 54.8006 18.6596 179.6365 75 I 3.7451 7.3929 117.8740 64.5856 37.1916 178.5857 76 L 3.9504 7.8106 120.1307 57.7905 41.1728 179.7773 77 K 3.9141 7.8420 117.0914 58.6360 32.2536 178.8232 78 K 3.9440 7.7903 118.0400 56.1242 32.4944 176.6673 79 K 2.0000 8.3321 118.3757 56.3320 29.8244 175.5434 80 G 3.9608 7.8695 106.0665 45.7696 0.0000 173.9158 81 H 4.6529 7.6265 118.4158 54.6105 27.5948 174.9720 82 H 5.4257 7.5596 110.8866 54.5209 29.2121 176.5983 83 E 3.9750 8.5035 121.1653 60.4558 28.7699 178.7651 84 A 4.0690 7.9075 120.0006 54.8291 17.9108 179.0266 85 E 4.1084 8.1528 116.6498 59.4006 29.5643 179.3276 86 L 4.3655 8.3604 119.3172 57.2339 41.5615 179.4037 87 K 3.9716 7.8091 118.8818 59.1625 32.0593 177.5042 88 P 4.2991 0.0000 0.0000 65.6274 31.3048 178.1775 89 L 4.0193 7.5839 120.3771 57.9867 41.9974 178.8114 90 A 4.2572 8.4707 121.1768 55.1813 18.2537 179.3614 91 Q 3.9046 8.3703 118.3806 59.4101 29.1280 178.7092 92 S 4.0091 8.2759 115.3442 61.9029 63.0740 176.1510 93 H 4.1839 8.7014 119.6112 57.9800 28.2002 177.6493 94 A 2.7995 8.0210 122.3680 54.4720 18.4762 179.0261 95 T 3.9325 7.6337 112.6542 64.8766 69.1904 176.2114 96 K 4.0703 7.4368 120.0913 58.8748 32.8662 177.3537 97 H 4.2243 7.9939 115.0841 56.4498 29.4024 175.7054 98 K 3.2125 7.4650 116.9263 57.0715 28.6244 176.0874 99 I 4.3081 8.0516 119.1028 58.7818 37.9334 175.0170 100 P 4.5555 0.0000 0.0000 62.2715 32.0486 177.3838 101 I 3.5378 8.2470 121.2469 64.6792 36.9355 178.4673 102 K 3.7188 7.9365 119.7199 59.9334 31.8779 178.1523 103 Y 4.2669 8.0456 116.6296 60.6679 37.7824 178.0108 104 L 4.3308 7.8306 119.7687 57.4855 41.7612 179.0723 105 E 4.0234 8.2470 119.0485 59.4235 29.4139 179.2152 106 F 4.5388 7.9547 117.8525 60.8389 38.8824 177.6162 107 I 3.9403 8.2655 118.0964 63.9112 37.7531 178.1412 108 S 4.2610 8.2999 116.5382 61.5018 62.5905 176.1055 109 E 4.0367 8.6228 121.8889 59.3068 29.4073 178.7922 110 A 4.0227 8.1570 120.8415 55.1195 18.3910 179.6689 111 I 3.6930 8.1639 118.6405 64.6839 37.1531 178.7687 112 I 3.8578 8.0410 120.6576 64.5596 36.9605 177.9732 113 H 4.1414 8.5812 119.3429 59.3522 29.6782 177.5582 114 V 3.5636 7.9582 120.0083 65.9552 31.2882 178.0117 115 L 3.7885 7.9037 118.8804 57.8405 41.0417 178.9015 116 H 4.4473 8.0938 117.4770 59.4377 29.8624 177.3146 117 S 4.1641 7.8579 115.9959 61.6230 62.8330 176.4474 118 R 4.0721 8.0383 119.2717 57.5634 31.2009 176.4082 119 H 5.0132 8.2856 115.9879 53.6433 29.6509 172.9696 120 P 4.3133 0.0000 0.0000 66.0195 31.4960 179.1817 121 G 3.5864 8.2016 106.5759 47.7493 0.0000 173.6830 122 N 4.9451 8.1100 114.3881 52.8610 39.2740 174.9234 123 F 4.9337 7.7600 119.4240 56.4853 39.5569 174.2638 124 G 3.9151 7.6908 108.8827 43.7149 0.0000 172.1549 125 A 3.8922 8.4278 120.7163 55.4979 18.2495 179.6189 126 D 4.1908 7.9928 116.4518 57.4437 40.8932 178.7994 127 A 3.9282 7.7533 120.7845 55.0944 18.4128 179.3132 128 Q 2.9443 7.8835 118.5558 58.7743 28.9884 178.6265 129 G 3.5305 8.1631 106.8415 47.6995 0.0000 175.5727 130 A 3.8603 8.0183 123.2357 54.9695 18.3063 179.4386 131 M 3.9913 8.2191 116.8970 58.7787 32.3619 177.9076 132 N 4.3441 8.5878 117.7066 56.6231 39.1209 176.7293 133 K 3.9202 8.2090 120.8531 59.3404 32.2627 178.7068 134 A 3.8704 7.9794 121.2165 55.1562 18.2236 179.6846 135 L 4.2986 8.4174 117.9369 57.9576 41.6105 179.5887 136 E 3.9900 8.7927 119.2532 59.0907 29.2751 179.1028 137 L 3.9672 8.0881 120.5210 57.8491 42.1902 178.7794 138 W 4.1573 8.3894 128.2803 60.7136 30.6351 178.1718 139 R 3.0534 8.1591 118.1416 58.5760 29.3608 178.9900 140 K 3.7909 8.2326 119.8454 59.6926 32.2698 178.7228 141 D 4.3423 8.2284 119.3103 57.2964 40.6462 178.8485 142 I 3.4769 7.8206 120.6366 64.0715 36.9742 178.2958 143 A 3.6706 8.0059 121.8401 54.9643 18.1482 179.5633 144 A 3.9336 7.8835 119.3372 55.1391 18.3770 179.8399 145 K 3.9596 8.1759 118.2095 59.6530 32.2174 178.4948 146 Y 4.3962 8.4269 117.6124 61.2520 37.9702 178.7294 147 K 3.9412 8.2750 120.2200 59.7172 32.0842 178.6536 148 E 4.0413 7.9766 117.6770 59.2238 29.4666 178.7257 149 L 4.3156 7.9957 117.2101 55.4850 41.9121 177.8688 150 G 3.9840 7.9378 107.0841 45.4882 0.0000 172.8888 151 Y 4.4293 8.4617 119.6902 59.1345 40.0622 177.4387 152 Q 3.2286 8.0622 116.6412 56.5497 28.1029 173.6123 153 G 2.8124 5.8522 109.6276 44.8131 0.0000 174.3808 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 0 M 8.30 4.47 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.93 4.28 2.10 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 0.87 0.00 0.00 0.96 0.00 0.00 2 L 8.31 4.31 0.00 0.93 0.69 0.66 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.74 4.56 0.00 4.04 3.97 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 4 E 8.79 4.30 0.00 2.20 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 2.43 2.64 0.00 5 G 8.12 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.21 3.92 0.00 1.91 1.71 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 2.21 2.25 0.00 7 W 8.12 4.32 0.00 3.58 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.56 4.18 0.00 2.32 2.21 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 2.45 2.69 0.00 9 L 7.92 4.09 0.00 1.87 1.75 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.92 3.73 2.46 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.68 4.31 0.00 1.82 1.82 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.57 4.27 0.00 3.42 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.44 2.46 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 1.08 0.00 0.00 0.85 0.00 0.00 14 W 8.50 3.93 0.00 3.64 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 15 A 7.96 3.98 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 16 K 7.35 3.95 0.00 1.57 1.65 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 17 V 7.17 2.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.41 0.00 0.00 18 E 7.77 3.89 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 19 A 7.53 4.18 1.28 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 0.00 0.00 20 D 7.82 4.65 0.00 2.70 2.51 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 21 V 7.88 3.43 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 1.03 0.00 0.00 0.82 0.00 0.00 22 A 7.98 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 23 G 8.19 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 24 H 8.27 4.21 0.00 3.22 3.21 0.00 5.82 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 25 G 8.32 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 26 Q 8.07 3.88 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 27 D 7.96 4.28 0.00 2.74 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 28 I 7.78 3.65 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.60 0.89 0.00 0.00 29 L 7.81 3.47 0.00 1.34 0.96 0.74 0.49 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 30 I 7.70 3.60 1.86 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 1.38 0.59 0.88 0.00 0.00 31 R 7.97 3.77 0.00 1.87 2.13 0.00 3.02 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 L 7.83 3.90 0.00 1.74 1.42 1.08 0.99 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 33 F 7.87 4.53 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.12 4.02 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.70 7.81 35 S 8.10 4.27 0.00 3.73 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 36 H 8.23 4.68 0.00 2.87 2.70 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.62 0.00 2.15 2.12 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 38 E 8.23 4.13 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.56 0.00 39 T 8.20 3.75 4.43 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 0.81 0.00 0.00 40 L 8.04 3.73 0.00 1.28 1.72 -0.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.83 4.11 0.00 2.23 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 0.00 2.39 2.54 0.00 42 K 8.03 4.47 0.00 2.03 1.77 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.78 1.99 7.81 43 F 8.21 4.62 0.00 3.29 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 44 D 8.53 4.40 0.00 2.63 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 45 R 7.88 3.84 0.00 1.47 1.42 0.00 2.91 0.00 0.00 2.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 46 F 7.69 5.08 0.00 2.91 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 47 K 8.30 4.10 0.00 1.87 2.23 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.41 7.81 48 H 8.10 4.42 0.00 3.31 3.48 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.44 4.06 0.00 1.58 1.59 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.20 4.26 0.00 1.71 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 51 T 7.31 4.74 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 1.20 0.00 0.00 52 E 8.64 3.93 0.00 2.04 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 0.00 2.36 2.36 0.00 53 A 7.91 3.98 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 54 E 7.92 3.95 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 2.35 0.00 55 M 8.03 4.17 0.00 2.07 2.25 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 2.76 2.59 0.00 56 K 8.28 3.97 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.62 7.81 57 A 7.73 4.43 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 58 S 7.55 4.32 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.76 3.98 0.00 2.14 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 0.00 2.40 2.45 0.00 60 D 8.14 4.42 0.00 2.97 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 61 L 8.16 3.38 0.00 1.31 1.58 -0.14 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.05 3.86 0.00 1.85 1.96 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.33 3.98 0.00 2.05 1.92 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.79 1.66 7.81 64 H 8.65 4.44 0.00 3.61 3.53 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 65 G 8.41 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 66 V 7.78 3.60 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 1.11 0.00 0.00 0.96 0.00 0.00 67 T 7.85 3.87 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 1.29 0.00 0.00 68 V 8.00 3.56 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 1.07 0.00 0.00 0.95 0.00 0.00 69 L 8.12 4.25 0.00 1.78 1.87 0.88 0.79 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 70 T 8.29 4.00 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 1.25 0.00 0.00 71 A 8.06 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 72 L 8.12 3.68 0.00 1.51 1.67 0.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 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 0.00 0.00 0.00 74 A 7.75 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 75 I 7.39 3.75 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 0.82 0.00 0.00 76 L 7.81 3.95 0.00 1.26 1.55 -0.17 0.85 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 77 K 7.84 3.91 0.00 1.68 1.80 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.79 3.94 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.84 7.81 79 K 8.33 2.00 0.00 1.17 0.74 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.70 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.49 0.98 7.81 80 G 7.87 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 81 H 7.63 4.65 0.00 3.16 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.56 5.43 0.00 3.30 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.50 3.97 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 84 A 7.91 4.07 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 85 E 8.15 4.11 0.00 2.24 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 2.39 2.46 0.00 86 L 8.36 4.37 0.00 1.95 1.76 1.01 1.16 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 87 K 7.81 3.97 0.00 1.97 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.70 7.81 88 P 0.00 4.30 0.00 2.31 2.34 0.00 3.98 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 89 L 7.58 4.02 0.00 2.06 1.94 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.47 4.26 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 91 Q 8.37 3.90 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.28 4.01 0.00 4.01 4.13 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 0.00 0.00 0.00 93 H 8.70 4.18 0.00 3.64 3.65 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 94 A 8.02 2.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.63 3.93 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 1.11 0.00 0.00 96 K 7.44 4.07 0.00 1.53 1.64 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 7.99 4.22 0.00 3.01 3.14 0.00 5.86 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 98 K 7.47 3.21 0.00 1.76 1.74 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.25 7.81 99 I 8.05 4.31 2.12 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 1.53 0.94 1.19 0.00 0.00 100 P 0.00 4.56 0.00 1.95 1.99 0.00 3.32 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 0.89 1.29 0.00 101 I 8.25 3.54 1.76 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.74 0.00 0.00 102 K 7.94 3.72 0.00 1.69 1.61 0.00 1.36 0.00 0.00 1.40 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 0.83 7.81 103 Y 8.05 4.27 0.00 3.25 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 0.00 104 L 7.83 4.33 0.00 1.65 1.50 0.51 1.26 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 0.00 105 E 8.25 4.02 0.00 2.04 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 2.30 2.38 0.00 106 F 7.95 4.54 0.00 3.23 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 0.00 107 I 8.27 3.94 2.08 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 1.61 1.68 1.21 0.00 0.00 108 S 8.30 4.26 0.00 4.28 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 0.00 109 E 8.62 4.04 0.00 2.19 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 2.40 2.43 0.00 110 A 8.16 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 0.00 111 I 8.16 3.69 2.13 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 1.60 0.74 1.03 0.00 0.00 112 I 8.04 3.86 2.15 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 1.75 0.87 1.15 0.00 0.00 113 H 8.58 4.14 0.00 3.35 3.49 0.00 5.78 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 0.00 114 V 7.96 3.56 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 0.97 0.00 0.00 0.95 0.00 0.00 115 L 7.90 3.79 0.00 0.29 0.57 0.70 0.65 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 0.00 116 H 8.09 4.45 0.00 3.48 3.66 0.00 5.95 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 S 7.86 4.16 0.00 3.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.04 4.07 0.00 1.58 1.62 0.00 3.11 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 119 H 8.29 5.01 0.00 3.21 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.21 2.28 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.20 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 0.00 122 N 8.11 4.95 0.00 2.81 2.90 0.00 0.00 6.71 6.94 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 0.00 123 F 7.76 4.93 0.00 2.97 3.01 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 0.00 124 G 7.69 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.43 3.89 1.28 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 0.00 0.00 126 D 7.99 4.19 0.00 2.65 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 0.00 127 A 7.75 3.93 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 0.00 128 Q 7.88 2.94 0.00 1.18 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 129 G 8.16 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 0.00 130 A 8.02 3.86 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 0.00 131 M 8.22 3.99 0.00 2.53 2.42 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 132 N 8.59 4.34 0.00 2.87 2.93 0.00 0.00 6.88 6.33 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 0.00 133 K 8.21 3.92 0.00 1.90 1.75 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.38 7.81 134 A 7.98 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.42 4.30 0.00 1.82 1.99 1.03 0.74 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 0.00 136 E 8.79 3.99 0.00 2.12 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 2.35 2.65 0.00 137 L 8.09 3.97 0.00 1.90 2.00 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 W 8.39 4.16 0.00 3.42 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 0.00 139 R 8.16 3.05 0.00 1.84 1.64 0.00 2.99 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.78 0.00 140 K 8.23 3.79 0.00 1.85 1.96 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 D 8.23 4.34 0.00 2.73 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 0.00 142 I 7.82 3.48 1.13 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 1.12 0.13 0.00 0.00 0.00 143 A 8.01 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.88 3.93 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 0.00 145 K 8.18 3.96 0.00 1.99 1.98 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.62 7.81 146 Y 8.43 4.40 0.00 3.14 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 0.00 147 K 8.27 3.94 0.00 2.17 2.02 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 7.98 4.04 0.00 2.23 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 2.36 2.51 0.00 149 L 8.00 4.32 0.00 1.82 1.72 1.01 1.01 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 0.00 150 G 7.94 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 0.00 0.00 0.00 151 Y 8.46 4.43 0.00 2.73 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 0.00 152 Q 8.06 3.23 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 153 G 5.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00