NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9239 8.3549 109.7418 45.0038 0.0000 173.2453 2 L 4.3985 7.7406 118.8613 51.0382 43.5230 175.5600 3 S 4.6086 10.1556 119.8554 57.3855 66.7151 174.9176 4 D 4.6832 8.7257 121.4364 57.7277 40.5198 179.3947 5 G 3.6790 8.1038 105.5542 47.8986 0.0000 175.4492 6 E 3.9919 7.9649 120.5056 58.8559 29.4143 179.3278 7 W 4.3462 8.2336 119.0679 59.8398 28.9686 178.6126 8 Q 4.1136 8.1869 117.9620 58.9987 28.2087 178.6864 9 L 4.0280 7.8352 119.5743 57.6848 41.6555 179.6424 10 V 3.7168 7.9635 118.0876 66.3623 31.4848 178.2569 11 L 4.2998 8.5860 118.7818 57.4722 41.1777 179.3380 12 N 4.3719 8.3758 116.5137 56.3855 38.8588 177.1915 13 V 3.7607 8.0471 119.6006 65.7780 31.6650 177.7067 14 W 4.1193 8.5865 128.2937 60.4555 30.3248 177.9790 15 G 3.6991 8.0545 105.3751 47.8121 0.0000 175.7970 16 K 3.8508 7.6009 119.8454 59.2020 32.3090 179.3222 17 V 2.8850 6.8667 118.0212 65.5752 31.0877 177.7451 18 E 3.9151 7.5033 116.9751 58.5555 29.3560 178.3191 19 A 4.2396 7.3930 119.2450 52.8290 20.1536 177.4020 20 D 4.6023 7.5316 114.1289 52.5554 43.6061 175.9737 21 V 3.5538 7.6571 123.4053 65.7718 32.2176 176.8533 22 A 4.0752 7.9872 120.2757 54.9175 18.3251 179.7494 23 G 3.4730 8.0643 104.3219 48.2527 0.0000 175.7607 24 H 4.1209 8.1075 118.6208 58.2655 28.6988 177.9652 25 G 3.6880 8.2637 107.8119 47.9347 0.0000 175.4703 26 Q 3.8482 8.0380 122.2617 58.8482 29.0596 177.9881 27 E 3.8495 7.9472 119.4951 59.3106 29.4515 179.6115 28 V 3.4910 7.7893 118.1377 66.0686 31.6667 178.1949 29 L 3.4786 7.7651 118.6592 57.5449 41.3654 179.5627 30 I 3.7066 7.8347 120.1301 64.2241 36.9071 178.7153 31 R 3.8584 8.1602 119.3210 59.0549 29.8363 178.7591 32 L 3.9053 7.6629 120.0364 58.3441 41.5554 179.1469 33 F 4.5964 7.9299 117.6624 60.3595 38.5695 177.7539 34 K 4.0698 8.0862 118.7683 59.4708 32.1507 178.8452 35 G 3.7610 8.1041 104.7383 46.5910 0.0000 174.0046 36 H 4.7404 8.4051 118.2533 52.2432 30.4829 171.9743 37 P 4.4746 0.0000 0.0000 64.9669 31.0251 178.3255 38 E 4.1324 8.2233 117.0418 59.2009 29.6139 178.9656 39 T 3.7831 8.1733 111.4451 64.4169 68.7450 176.1208 40 L 3.6111 7.9887 123.5125 58.0679 41.7837 178.6586 41 E 4.1484 7.8316 116.9432 58.7522 29.4172 178.8033 42 K 4.4390 8.0484 117.2083 56.9682 32.7253 177.2486 43 F 4.6171 8.1310 118.7336 55.6905 39.2020 175.8066 44 D 4.3774 8.4509 125.1091 57.0998 40.5880 178.4664 45 K 3.9115 7.8664 118.6950 58.4668 32.4732 176.8340 46 F 5.1860 8.0634 115.1536 57.0453 40.4545 176.7778 47 K 4.1052 7.9279 121.6181 59.2830 31.8612 177.9105 48 H 4.4432 8.2184 112.7325 56.8538 29.0473 175.1710 49 L 4.3652 7.4660 121.2092 54.2176 41.8068 176.7280 50 K 4.3823 8.7342 122.8306 56.6745 33.3028 176.3310 51 S 4.5838 7.3126 113.1183 56.0170 67.1509 174.3273 52 E 3.9309 8.6183 121.4082 59.4197 29.4039 178.2276 53 D 4.3919 7.9795 118.6530 57.3378 40.8259 178.3978 54 E 4.0092 7.8221 118.1494 59.4578 29.1763 179.3643 55 M 3.9630 7.7900 118.0935 58.3637 32.1545 178.7726 56 K 4.0465 8.3126 117.4875 58.9411 32.2154 178.7306 57 A 4.3246 7.6374 119.7122 52.8089 18.6304 177.7702 58 S 4.1057 7.3788 113.6568 58.5568 63.0833 174.5220 59 E 4.0045 9.0063 128.5630 59.4633 29.5876 178.2079 60 D 4.4898 8.1853 118.5137 57.3482 40.9012 178.3210 61 L 3.8350 8.0101 120.5838 57.9530 41.9371 178.9180 62 K 3.8805 7.7484 118.8129 59.3597 32.0490 178.9137 63 K 3.9763 8.1108 118.6778 59.6406 32.0102 179.4775 64 V 3.8055 8.2116 118.6379 65.9056 31.4105 178.2342 65 G 3.5756 8.3709 105.6353 47.7557 0.0000 174.9748 66 N 4.2662 8.3109 120.1277 56.6589 38.9919 176.7271 67 T 3.9125 8.0959 117.0015 67.1312 68.7183 176.4335 68 T 3.9260 8.1526 117.4399 66.9883 68.5708 176.6245 69 L 4.3027 8.0475 120.3317 57.5535 41.6983 179.6729 70 T 3.9619 8.2432 115.9785 66.4588 68.4152 176.3628 71 A 3.9665 7.9679 122.6000 55.1287 18.4723 179.2431 72 L 3.6669 7.8093 118.6377 58.3675 42.2457 179.5033 73 G 3.4147 8.3510 105.6044 47.4535 0.0000 175.9109 74 G 3.5968 7.8464 107.2072 47.8576 0.0000 175.6664 75 I 3.8719 7.5212 122.5887 63.8627 37.0602 178.5659 76 L 3.9661 7.7515 119.9529 57.6507 41.1626 179.6205 77 K 4.0164 7.5524 116.7516 58.6025 32.2841 178.8249 78 K 3.9652 7.7967 117.7828 56.0774 32.6386 176.5693 79 K 2.0000 8.2007 118.4313 56.4607 29.7822 175.3448 80 G 3.9504 7.9570 105.8291 45.7450 0.0000 173.7303 81 H 4.6357 7.2302 119.0305 55.3813 27.5626 174.8865 82 H 5.5377 7.1846 110.3607 54.3717 29.8193 176.4467 83 E 3.9942 8.5341 122.2377 60.1840 28.9251 178.8794 84 A 3.9761 7.8517 119.0739 55.4233 18.6708 179.1796 85 E 4.0799 8.1298 116.6200 59.3338 29.5173 179.1213 86 L 4.1748 8.2207 120.4644 57.8771 42.0343 179.0553 87 T 3.8899 7.8941 116.1820 66.1255 68.4002 174.7248 88 P 4.2470 0.0000 0.0000 65.6871 31.2245 178.1608 89 L 4.0009 7.5759 119.9964 57.9502 41.9815 178.8609 90 A 4.2355 8.3567 120.9977 55.2358 18.4409 179.4726 91 Q 3.8803 8.3739 116.9837 59.2525 28.8387 179.3134 92 S 4.0258 8.4657 115.4746 61.9037 63.0061 176.2134 93 H 4.2558 8.7429 119.8919 58.9437 28.4658 176.6959 94 A 2.5800 8.0911 123.7110 54.4405 17.6479 179.5607 95 T 3.6461 7.6471 109.1130 63.0366 69.7905 175.5067 96 K 4.1852 7.6906 120.3753 58.1182 33.5120 176.7206 97 H 4.3153 8.0617 114.0072 55.9629 29.5215 175.4494 98 K 3.9743 7.3796 116.8599 56.0830 28.7575 174.9286 99 I 4.3883 8.2854 118.7974 58.7169 38.6009 175.0569 100 P 4.7148 0.0000 0.0000 62.3695 31.9778 177.8600 101 V 3.6447 8.4210 119.9530 64.5803 31.1932 178.5328 102 K 3.9949 7.8520 118.9274 59.6817 32.3713 178.5855 103 Y 4.1367 7.6819 118.0573 60.9433 37.7596 178.1772 104 L 4.1972 8.0081 120.1763 57.7676 41.7702 179.3567 105 E 4.0568 7.8732 118.2437 59.2477 29.5848 179.0157 106 F 4.5519 8.0735 118.3450 60.8619 38.9206 177.5854 107 I 3.8593 8.1165 118.1437 63.8938 37.7603 178.1236 108 S 4.1712 8.0656 115.9109 61.6095 62.6149 176.2685 109 E 4.0143 8.2596 121.2855 59.2110 29.3941 178.5972 110 A 4.4178 7.9336 121.8636 54.5889 18.3120 179.7061 111 I 3.6377 7.9631 118.3927 64.6721 37.1778 178.6506 112 I 3.7647 7.8443 120.5207 64.6274 36.8321 178.4499 113 Q 4.0157 8.4046 119.0703 58.9865 28.4203 179.3273 114 V 3.5156 7.8071 119.1688 65.9025 31.5264 178.0826 115 L 3.7089 8.0398 119.1514 57.6517 41.0874 179.1659 116 Q 4.1792 7.8609 118.5179 59.4604 29.0596 178.5495 117 S 4.2397 7.8588 114.6664 61.6440 63.0574 176.4359 118 K 4.0840 8.4965 120.0723 57.7855 33.3983 177.1271 119 H 5.0436 8.5880 115.8847 53.7225 28.9529 172.6251 120 P 4.3645 0.0000 0.0000 65.8803 31.7554 179.5216 121 G 3.6997 8.1318 106.0712 47.1677 0.0000 173.4818 122 D 4.7976 7.9779 117.8457 54.2006 42.4200 176.4393 123 F 4.9469 7.5145 121.4319 56.7412 38.6939 174.4975 124 G 3.8542 7.4417 110.8829 43.6291 0.0000 171.2742 125 A 3.9093 8.4081 120.6933 55.2991 18.1191 179.6213 126 D 4.1416 7.9174 116.3812 57.4838 41.0311 178.5953 127 A 3.9513 7.8092 120.6640 55.1769 18.3250 179.2926 128 Q 3.3837 7.8577 116.9616 59.1122 28.7984 179.7583 129 G 3.4809 7.8873 106.1387 47.4025 0.0000 175.7215 130 A 3.8197 8.0751 123.1696 55.2520 18.4156 179.3673 131 M 4.0311 8.4382 117.1847 59.0252 32.2869 178.6646 132 S 4.1991 8.3945 115.4590 61.3830 62.9220 176.7982 133 K 3.9334 8.0540 121.2299 59.1916 31.7227 179.2457 134 A 3.8376 7.9143 121.1741 55.1290 18.1938 179.7149 135 L 4.1145 8.1897 117.4980 57.5087 41.6513 179.3787 136 E 3.9216 8.3252 119.7737 59.0454 29.6401 178.3032 137 L 3.9406 8.0707 120.5436 58.2556 42.1212 178.7177 138 F 4.1364 8.2469 120.2738 61.5612 39.3692 177.3685 139 R 3.5110 8.3323 117.8109 59.0942 29.9304 178.7775 140 N 4.2689 8.7145 116.6724 56.4501 38.5053 177.2273 141 D 4.3540 8.1246 120.2522 57.3154 40.7791 178.7291 142 M 3.7169 7.6647 119.0259 58.2728 31.9016 178.5976 143 A 3.7012 7.6342 120.5372 54.9387 18.5776 179.6298 144 A 3.8966 7.8151 118.8596 55.1252 18.5193 179.7179 145 K 3.9297 8.0092 118.2188 59.9188 32.1845 178.4937 146 Y 4.2728 8.5443 117.3866 61.0703 37.8498 178.6083 147 K 3.9704 8.2242 120.4490 59.7686 32.1291 178.7805 148 E 4.0742 7.9560 117.0574 59.1476 29.4388 178.8318 149 L 4.2559 7.6275 117.3159 55.7044 41.7927 178.0601 150 G 3.9141 7.8349 106.4337 45.2277 0.0000 173.3282 151 F 4.3724 8.2602 127.2170 57.9609 39.2948 175.3767 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 G 8.35 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 2 L 7.74 4.40 0.00 0.77 0.74 0.53 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 10.16 4.61 0.00 4.01 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 4 D 8.73 4.68 0.00 2.77 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 5 G 8.10 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 6 E 7.96 3.99 0.00 2.02 1.72 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 2.21 2.27 0.00 7 W 8.23 4.35 0.00 3.54 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 8 Q 8.19 4.11 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 9 L 7.84 4.03 0.00 1.88 1.75 0.92 1.05 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 10 V 7.96 3.72 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 1.20 0.00 0.00 0.85 0.00 0.00 11 L 8.59 4.30 0.00 1.82 1.81 0.95 0.63 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 12 N 8.38 4.37 0.00 2.94 2.94 0.00 0.00 6.95 8.13 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 13 V 8.05 3.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.17 0.00 0.00 14 W 8.59 4.12 0.00 3.71 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 15 G 8.05 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 16 K 7.60 3.85 0.00 1.46 1.46 0.00 1.77 0.00 0.00 1.28 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.44 7.81 17 V 6.87 2.89 0.92 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 0.13 0.00 0.00 -0.03 0.00 0.00 18 E 7.50 3.92 0.00 2.03 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 2.38 2.30 0.00 19 A 7.39 4.24 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 20 D 7.53 4.60 0.00 2.71 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 21 V 7.66 3.55 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 1.14 0.00 0.00 0.90 0.00 0.00 22 A 7.99 4.08 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 23 G 8.06 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 0.00 0.00 0.00 24 H 8.11 4.12 0.00 3.08 3.24 0.00 5.83 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 8.26 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 26 Q 8.04 3.85 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 27 E 7.95 3.85 0.00 2.13 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 2.24 2.38 0.00 28 V 7.79 3.49 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 0.99 0.00 0.00 0.95 0.00 0.00 29 L 7.77 3.48 0.00 1.41 0.97 0.78 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.83 3.71 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.87 0.00 0.00 31 R 8.16 3.86 0.00 1.88 1.93 0.00 3.27 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 32 L 7.66 3.91 0.00 1.64 1.42 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.93 4.60 0.00 3.02 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 34 K 8.09 4.07 0.00 2.04 1.90 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.29 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 35 G 8.10 3.76 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 0.00 0.00 0.00 36 H 8.41 4.74 0.00 2.91 2.65 0.00 5.63 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 37 P 0.00 4.47 0.00 2.26 2.31 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.86 0.00 38 E 8.22 4.13 0.00 2.31 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 2.43 2.56 0.00 39 T 8.17 3.78 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 0.78 0.00 0.00 40 L 7.99 3.61 0.00 1.58 1.80 0.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.83 4.15 0.00 2.23 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 0.00 2.39 2.57 0.00 42 K 8.05 4.44 0.00 1.82 1.63 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.24 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.73 1.87 7.81 43 F 8.13 4.62 0.00 3.25 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.45 4.38 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 45 K 7.87 3.91 0.00 1.44 0.92 0.00 1.43 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.06 1.30 7.81 46 F 8.06 5.19 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.93 4.11 0.00 1.80 1.91 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.61 7.81 48 H 8.22 4.44 0.00 3.27 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.47 4.37 0.00 1.51 1.54 0.74 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.73 4.38 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.49 7.81 51 S 7.31 4.58 0.00 3.97 3.91 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 52 E 8.62 3.93 0.00 2.03 1.96 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 2.35 2.36 0.00 53 D 7.98 4.39 0.00 2.78 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 54 E 7.82 4.01 0.00 2.23 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 2.31 2.32 0.00 55 M 7.79 3.96 0.00 1.92 2.24 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.46 0.00 56 K 8.31 4.05 0.00 1.80 1.84 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.55 7.81 57 A 7.64 4.32 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 58 S 7.38 4.11 0.00 3.92 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 59 E 9.01 4.00 0.00 2.11 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 2.41 0.00 60 D 8.19 4.49 0.00 3.03 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 8.01 3.84 0.00 1.20 1.60 0.55 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.75 3.88 0.00 1.98 2.00 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.11 3.98 0.00 2.06 1.90 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.69 7.81 64 V 8.21 3.81 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 1.37 0.00 0.00 1.20 0.00 0.00 65 G 8.37 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 0.00 0.00 0.00 66 N 8.31 4.27 0.00 2.95 3.00 0.00 0.00 7.28 7.05 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 67 T 8.10 3.91 4.52 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 1.29 0.00 0.00 68 T 8.15 3.93 4.46 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 1.29 0.00 0.00 69 L 8.05 4.30 0.00 1.81 1.96 0.90 0.92 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 8.24 3.96 4.51 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 1.26 0.00 0.00 71 A 7.97 3.97 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 72 L 7.81 3.67 0.00 1.63 1.76 0.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.35 3.41 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 0.00 74 G 7.85 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.87 1.86 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 1.54 1.37 0.87 0.00 0.00 76 L 7.75 3.97 0.00 1.15 1.47 -0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.55 4.02 0.00 1.77 1.81 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.47 7.81 78 K 7.80 3.97 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.58 1.73 7.81 79 K 8.20 2.00 0.00 1.23 0.74 0.00 1.39 0.00 0.00 1.36 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.66 7.81 80 G 7.96 3.95 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 0.00 0.00 0.00 81 H 7.23 4.64 0.00 3.22 3.21 0.00 5.62 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 82 H 7.18 5.54 0.00 3.27 3.44 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.53 3.99 0.00 2.09 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 0.00 2.41 2.47 0.00 84 A 7.85 3.98 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 85 E 8.13 4.08 0.00 2.10 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 0.00 2.40 2.43 0.00 86 L 8.22 4.17 0.00 1.93 1.70 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.89 3.89 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 1.23 0.00 0.00 88 P 0.00 4.25 0.00 2.29 2.33 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 89 L 7.58 4.00 0.00 1.94 1.89 1.00 1.23 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 90 A 8.36 4.24 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 0.00 0.00 0.00 91 Q 8.37 3.88 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 92 S 8.47 4.03 0.00 3.93 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 0.00 93 H 8.74 4.26 0.00 3.50 3.55 0.00 5.81 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 8.09 2.58 0.38 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 95 T 7.65 3.65 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 1.09 0.00 0.00 96 K 7.69 4.19 0.00 1.53 1.54 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.25 7.81 97 H 8.06 4.32 0.00 3.00 3.16 0.00 5.86 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 98 K 7.38 3.97 0.00 1.89 1.86 0.00 1.76 0.00 0.00 2.35 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.31 7.81 99 I 8.29 4.39 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 1.18 0.00 0.00 100 P 0.00 4.71 0.00 1.87 1.96 0.00 3.44 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.20 0.00 101 V 8.42 3.64 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 0.85 0.00 0.00 0.80 0.00 0.00 102 K 7.85 3.99 0.00 1.51 1.94 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.42 7.81 103 Y 7.68 4.14 0.00 3.26 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 0.00 104 L 8.01 4.20 0.00 1.79 1.78 0.61 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.87 4.06 0.00 1.97 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 0.00 2.36 2.45 0.00 106 F 8.07 4.55 0.00 3.21 2.80 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 0.00 107 I 8.12 3.86 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 1.13 0.00 0.00 108 S 8.07 4.17 0.00 4.17 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 0.00 109 E 8.26 4.01 0.00 2.16 2.33 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 2.39 2.40 0.00 110 A 7.93 4.42 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 0.00 111 I 7.96 3.64 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 1.05 0.00 0.00 112 I 7.84 3.76 2.10 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 1.76 0.80 1.16 0.00 0.00 113 Q 8.40 4.02 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 114 V 7.81 3.52 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 0.94 0.00 0.00 0.89 0.00 0.00 115 L 8.04 3.71 0.00 0.66 0.58 0.75 0.47 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 0.00 116 Q 7.86 4.18 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 117 S 7.86 4.24 0.00 3.82 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 0.00 118 K 8.50 4.08 0.00 1.23 1.50 0.00 1.38 0.00 0.00 1.34 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.50 7.81 119 H 8.59 5.04 0.00 3.16 3.19 0.00 5.63 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 0.00 120 P 0.00 4.36 0.00 2.25 2.36 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 121 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 0.00 122 D 7.98 4.80 0.00 2.89 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 0.00 123 F 7.51 4.95 0.00 3.01 3.05 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 0.00 124 G 7.44 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 0.00 125 A 8.41 3.91 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 0.00 126 D 7.92 4.14 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 7.81 3.95 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 0.00 128 Q 7.86 3.38 0.00 2.05 1.94 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 1.88 1.30 0.00 129 G 7.89 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 0.00 130 A 8.08 3.82 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 0.00 131 M 8.44 4.03 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 S 8.39 4.20 0.00 3.89 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 0.00 133 K 8.05 3.93 0.00 1.76 1.71 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 A 7.91 3.84 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.19 4.11 0.00 1.76 1.81 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.33 3.92 0.00 2.15 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 2.47 2.31 0.00 137 L 8.07 3.94 0.00 1.84 1.93 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.25 4.14 0.00 3.15 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 0.00 139 R 8.33 3.51 0.00 1.82 1.84 0.00 3.15 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 140 N 8.71 4.27 0.00 2.81 2.83 0.00 0.00 7.02 8.08 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 0.00 141 D 8.12 4.35 0.00 2.65 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 0.00 142 M 7.66 3.72 0.00 1.41 1.59 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.89 0.00 143 A 7.63 3.70 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 0.00 144 A 7.82 3.90 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 0.00 145 K 8.01 3.93 0.00 2.11 1.94 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 146 Y 8.54 4.27 0.00 3.23 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 0.00 147 K 8.22 3.97 0.00 1.85 2.18 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.64 7.81 148 E 7.96 4.07 0.00 2.20 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 2.36 2.55 0.00 149 L 7.63 4.26 0.00 1.81 1.71 0.92 1.19 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 0.00 150 G 7.83 3.91 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 0.00 0.00 0.00 151 F 8.26 4.37 0.00 2.77 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