NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3169 8.3149 120.1411 56.2320 33.5238 175.1810 7 L 4.5167 8.3182 122.8783 52.2899 43.1347 174.2509 8 H 5.0957 9.1672 116.8089 53.8124 32.4368 172.6900 9 K 4.5320 8.7502 120.8229 56.2924 33.0590 176.0963 10 E 5.0046 9.3717 123.7679 53.6172 33.3106 173.9257 11 P 4.9443 0.0000 0.0000 63.3711 32.3588 174.9174 12 A 4.9118 8.3534 121.2723 51.4963 22.9480 175.5853 13 T 4.6720 8.6587 115.0958 61.3314 72.3181 173.8263 14 L 4.1575 8.6468 127.7531 55.8327 42.4000 175.6442 15 I 4.3095 8.4495 126.8875 61.8133 38.1961 175.6189 16 K 4.4846 7.5018 119.7691 55.4891 35.5794 173.5284 17 A 4.5915 8.6892 130.0072 51.8568 19.5544 177.0054 18 I 4.1281 8.2943 124.0201 62.9228 38.3955 175.0259 19 D 4.6644 6.9056 116.3789 53.5651 43.9312 175.4730 20 G 3.7704 8.7814 108.9873 47.8733 0.0000 174.0022 21 D 4.8273 8.0209 116.8462 53.2137 40.7328 175.5222 22 T 5.2574 7.6778 115.7469 62.2174 72.8546 173.3374 23 V 4.8030 8.8957 117.9390 59.5042 36.6671 174.1081 24 K 5.1141 9.1700 125.5173 54.9920 34.0245 175.1523 25 L 5.3548 9.4001 126.6129 53.1683 46.6653 175.0347 26 M 4.8713 9.3891 121.6094 54.6924 33.6916 174.1749 27 Y 4.9988 9.2544 127.9138 56.0241 41.8543 175.6192 28 K 3.5136 9.2956 127.5394 57.4305 29.5946 175.7336 29 G 4.0439 8.3672 105.1331 45.2658 0.0000 172.4848 30 Q 4.7576 8.0209 117.0477 53.4920 32.5621 172.9523 31 P 4.9913 0.0000 0.0000 63.1465 32.2670 175.5826 32 M 4.8327 9.3792 122.6467 54.7013 36.4168 173.2512 33 T 5.0179 8.4289 121.0904 62.4221 70.8643 173.5711 34 F 5.0958 9.8244 125.4151 55.5815 42.6126 174.0794 35 R 5.0087 8.9516 123.3357 54.2444 32.1141 175.2049 36 L 4.3033 8.7757 127.6583 54.7464 42.3671 177.3713 37 L 3.9485 8.7413 124.0352 55.0678 43.0187 177.1182 38 L 3.7734 8.6710 118.7933 55.5647 39.5984 174.1913 39 V 4.9599 7.3296 108.5000 59.6348 35.4485 174.9990 40 D 4.9369 9.2013 123.8292 52.8746 43.5806 175.1232 41 T 4.9148 8.3789 113.9415 58.6959 71.7604 172.7831 42 P 4.3595 0.0000 0.0000 63.0707 32.1384 175.7434 43 E 4.5949 10.5173 122.2173 56.0649 30.5057 176.8976 44 T 4.4185 7.7460 107.1612 61.2729 69.3184 174.2899 45 K 4.3166 7.9337 121.6071 58.5230 34.5272 176.5228 46 H 4.1258 8.1579 115.6996 55.4348 28.9362 174.2782 47 P 4.3594 0.0000 0.0000 63.7885 31.1796 175.9786 48 K 4.3709 8.0585 118.8183 57.4250 33.4412 174.5850 49 K 4.3091 8.7343 123.5149 54.5866 31.9674 179.3286 50 G 3.6972 8.4413 107.0012 45.4691 0.0000 175.9385 51 V 4.3979 8.6097 127.4593 60.6453 33.8718 174.2029 52 E 4.2109 8.8015 128.2062 55.6541 30.7618 176.7290 53 K 3.9932 8.3512 123.8616 58.1674 32.6496 176.8822 54 Y 4.3495 8.0602 122.3565 59.3124 36.2954 171.2421 55 G 3.9900 8.1246 107.4153 47.5730 0.0000 173.9865 56 P 4.2797 0.0000 0.0000 64.9779 31.4500 178.6928 57 E 4.0307 8.1927 116.7553 59.3112 29.4624 179.0375 58 A 4.0516 8.4781 121.2740 55.1775 18.0330 179.8028 59 S 4.1437 8.3459 113.5329 61.8964 62.9062 176.9270 60 A 4.0350 8.2344 123.3994 55.0462 18.0597 179.1605 61 F 3.9197 8.7429 119.6597 61.7059 39.4739 177.1763 62 T 3.8987 8.6403 115.5093 66.6719 68.3243 176.2597 63 K 3.8354 8.2072 121.3024 59.4902 32.1998 178.5401 64 K 3.8013 8.2405 120.0855 59.6610 31.8488 178.3166 65 M 3.8203 7.4896 117.1362 58.8012 32.3451 178.2851 66 V 3.8238 7.8873 112.2365 63.9533 31.5969 178.4526 67 E 4.1161 8.3241 118.1069 58.6222 29.3984 177.9319 68 N 4.6559 7.8059 113.6142 52.2116 39.4286 175.2351 69 A 4.4731 6.9454 123.1118 51.7394 19.1898 177.9452 70 K 4.2784 8.8616 120.2566 58.1979 33.7243 177.5318 71 K 4.7036 8.5791 118.7372 54.5582 36.6549 175.4442 72 I 5.0719 8.4389 124.3815 59.6041 40.5193 174.3484 73 E 5.1842 9.3654 124.9252 54.6902 34.0294 174.9702 74 V 4.6753 9.0051 115.8266 59.4970 35.2131 174.6207 75 E 5.0555 8.9762 124.6907 54.5060 32.2632 174.9536 76 F 4.5688 8.9650 125.7514 57.5094 40.2724 175.4009 77 D 4.9924 8.5758 120.8543 53.1100 43.1921 175.7725 78 K 4.3586 9.1065 117.5476 57.5410 33.5613 177.1940 79 G 4.4696 7.8220 109.7917 43.8569 0.0000 173.2318 80 Q 4.0875 8.5785 119.3277 56.6350 29.3258 176.7297 81 R 4.5889 8.5752 119.7031 56.7054 31.1702 176.1650 82 T 5.1189 7.5538 106.9847 59.6154 71.9625 173.3916 83 D 4.8166 8.6758 123.8197 51.8351 41.3547 177.0938 84 K 3.9951 8.3361 117.1280 59.2852 32.5521 177.0791 85 Y 4.2949 7.9370 115.8081 57.8905 38.1867 176.2049 86 G 3.9459 8.1849 108.6292 45.1545 0.0000 173.8946 87 R 4.2990 8.5435 119.9072 55.3880 31.6783 176.3501 88 G 3.6304 8.5705 111.0457 46.0528 0.0000 172.5748 89 L 5.3011 8.9968 124.4364 53.2428 42.9652 175.5566 90 A 4.3715 8.3269 124.9828 50.9659 23.6415 173.8477 91 Y 4.7565 8.6421 117.2178 57.1252 39.7588 175.3231 92 I 4.7930 8.6816 124.6658 59.6989 40.1745 174.1318 93 Y 5.1100 9.3794 123.5285 56.0394 41.2112 174.5052 94 A 4.8820 9.1203 125.7204 50.1645 21.5008 176.2174 95 D 4.2945 9.8567 125.4163 55.9201 38.9475 175.5066 96 G 3.9727 8.2339 104.0486 45.6613 0.0000 173.4524 97 K 4.5049 8.0562 120.7530 54.9328 33.6450 175.5830 98 M 3.9555 8.4947 123.2603 55.0743 33.2917 177.2381 99 V 3.6455 8.6507 127.0732 65.9282 31.8174 177.6421 100 N 4.2868 8.0298 115.9077 56.4805 38.3874 176.7394 101 E 3.8594 8.0637 119.6255 59.1778 29.8554 178.3155 102 A 3.9738 8.0258 120.8477 55.2332 18.3681 179.6375 103 L 3.4378 8.0488 117.3095 57.7213 41.7364 179.9232 104 V 3.7024 7.5090 117.5883 66.1463 31.3080 178.0119 105 R 3.9016 8.4471 117.6640 59.2120 29.9623 177.3146 106 Q 4.2064 7.8296 116.5632 55.5569 29.2554 175.7390 107 G 3.8812 8.0082 106.9412 47.5039 0.0000 174.6365 108 L 4.6021 7.7843 116.8861 53.8238 42.2834 176.1400 109 A 4.6183 7.5389 118.6362 51.0429 22.0247 176.1700 110 K 4.8086 8.7725 119.4291 54.6090 35.3566 175.9056 111 V 4.3351 9.2745 123.0045 62.7004 31.9636 175.9805 112 A 4.2595 8.5925 130.2708 51.0507 19.7180 176.7335 113 Y 4.3196 7.9738 116.6183 57.5632 38.6600 176.7401 114 V 3.7996 8.4057 122.1535 63.2629 32.4564 174.8237 115 Y 4.5384 8.4413 125.6871 56.7248 41.2990 175.7586 116 K 3.7915 9.2749 128.8307 57.4404 29.4335 176.0527 117 G 4.0249 7.9440 104.1504 45.7720 0.0000 173.4745 118 N 4.8287 7.9799 118.4783 51.9728 37.1294 174.1535 119 N 5.1404 8.1350 114.9732 52.2591 38.9882 176.9613 120 T 3.8522 8.5614 117.1708 67.5251 68.6051 174.8125 121 H 4.8815 8.0722 115.8386 55.6985 29.1584 176.5511 122 E 3.9965 8.3692 123.5627 59.6395 29.2592 179.0379 123 Q 3.9937 8.0594 117.4565 59.1684 28.9974 177.9032 124 H 4.1654 8.2552 118.7147 59.4989 29.8500 177.1355 125 L 3.9541 8.2512 120.8942 57.7062 41.4268 179.6368 126 R 3.9139 8.3426 118.5427 59.1606 29.9842 179.1959 127 K 3.9342 8.2121 118.2817 59.6656 32.0638 179.5990 128 S 4.0860 7.8971 115.0684 61.4414 62.6283 176.3658 129 E 3.8914 8.5510 122.2549 59.0892 29.3079 178.5936 130 A 3.6903 7.8830 120.7863 55.1578 18.4382 179.3951 131 Q 3.7798 7.9644 117.6760 59.3308 29.1552 178.3107 132 A 4.0100 8.0135 121.7906 54.8919 18.2647 179.6068 133 K 3.2671 7.6535 118.3104 59.3500 31.9790 179.0527 134 K 3.8282 7.9491 118.9370 59.0824 32.1468 177.5991 135 E 4.2706 7.9532 116.0667 55.1260 30.2148 176.0567 136 K 4.1631 7.8662 117.3918 56.0435 30.6017 175.2459 137 L 4.3809 8.0307 117.6824 55.3870 44.6717 178.4960 138 N 3.5126 9.3190 118.0826 54.0733 38.4843 176.2111 139 I 3.0328 5.4200 125.1318 64.8307 37.8701 176.9324 140 W 4.6099 8.2042 118.1647 57.0118 29.2111 176.6685 141 S 4.3982 8.0948 119.7426 58.5115 62.6599 173.9577 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 6 K 8.31 4.32 0.00 1.79 1.85 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 7 L 8.32 4.52 0.00 1.92 1.72 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.17 5.10 0.00 3.09 3.27 0.00 5.72 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 9 K 8.75 4.53 0.00 1.60 1.69 0.00 1.38 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.27 7.81 10 E 9.37 5.00 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 2.29 2.23 0.00 11 P 0.00 4.94 0.00 2.10 2.08 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 12 A 8.35 4.91 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 13 T 8.66 4.67 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 1.23 0.00 0.00 14 L 8.65 4.16 0.00 1.63 1.57 0.91 1.01 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 15 I 8.45 4.31 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.94 0.00 0.00 16 K 7.50 4.48 0.00 1.80 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.41 7.81 17 A 8.69 4.59 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 18 I 8.29 4.13 2.07 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 1.19 0.65 0.90 0.00 0.00 19 D 6.91 4.66 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.78 3.77 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 0.00 0.00 0.00 21 D 8.02 4.83 0.00 2.80 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 22 T 7.68 5.26 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 1.27 0.00 0.00 23 V 8.90 4.80 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 0.80 0.00 0.00 0.93 0.00 0.00 24 K 9.17 5.11 0.00 1.83 1.70 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 25 L 9.40 5.35 0.00 1.73 1.54 0.36 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.39 4.87 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.25 5.00 0.00 3.33 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 28 K 9.30 3.51 0.00 1.22 1.56 0.00 1.21 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 0.70 7.81 29 G 8.37 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 0.00 0.00 0.00 30 Q 8.02 4.76 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 31 P 0.00 4.99 0.00 2.01 2.07 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 32 M 9.38 4.83 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 33 T 8.43 5.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 F 9.82 5.10 0.00 2.97 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 35 R 8.95 5.01 0.00 1.84 1.74 0.00 3.32 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 36 L 8.78 4.30 0.00 1.60 1.57 nan 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.74 3.95 0.00 0.89 1.27 0.27 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.67 3.77 0.00 1.97 1.79 1.15 0.94 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 39 V 7.33 4.96 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 0.79 0.00 0.00 0.92 0.00 0.00 40 D 9.20 4.94 0.00 2.46 2.49 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 41 T 8.38 4.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 42 P 0.00 4.36 0.00 2.34 2.26 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 43 E 10.52 4.59 0.00 2.02 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 2.37 2.44 0.00 44 T 7.75 4.42 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 45 K 7.93 4.32 0.00 1.63 1.76 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.43 7.81 46 H 8.16 4.13 0.00 3.25 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.67 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 4.36 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 48 K 8.06 4.37 0.00 1.84 1.85 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.36 7.81 49 K 8.73 4.31 0.00 1.86 2.25 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.38 7.81 50 G 8.44 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 51 V 8.61 4.40 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 0.83 0.00 0.00 0.93 0.00 0.00 52 E 8.80 4.21 0.00 1.97 1.82 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 2.31 2.44 0.00 53 K 8.35 3.99 0.00 1.62 1.59 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.32 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.42 1.09 7.81 54 Y 8.06 4.35 0.00 3.19 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 55 G 8.12 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.16 2.11 0.00 3.52 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 2.08 2.16 0.00 57 E 8.19 4.03 0.00 2.33 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 0.00 2.53 2.51 0.00 58 A 8.48 4.05 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 59 S 8.35 4.14 0.00 4.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.23 4.03 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 61 F 8.74 3.92 0.00 3.18 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 62 T 8.64 3.90 4.29 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 1.27 0.00 0.00 63 K 8.21 3.84 0.00 1.89 2.01 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.57 7.81 64 K 8.24 3.80 0.00 1.81 1.76 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.55 7.81 65 M 7.49 3.82 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 66 V 7.89 3.82 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 0.87 0.00 0.00 1.00 0.00 0.00 67 E 8.32 4.12 0.00 2.00 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 2.33 2.43 0.00 68 N 7.81 4.66 0.00 2.72 2.81 0.00 0.00 7.00 7.50 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 69 A 6.95 4.47 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 70 K 8.86 4.28 0.00 1.89 1.94 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.41 7.81 71 K 8.58 4.70 0.00 1.68 1.68 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 72 I 8.44 5.07 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.21 0.85 0.00 0.00 73 E 9.37 5.18 0.00 1.91 1.78 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 2.22 2.27 0.00 74 V 9.01 4.68 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 0.02 0.00 0.00 0.65 0.00 0.00 75 E 8.98 5.06 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 2.52 2.42 0.00 76 F 8.96 4.57 0.00 3.09 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 77 D 8.58 4.99 0.00 2.73 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.11 4.36 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.35 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 79 G 7.82 4.47 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 80 Q 8.58 4.09 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 81 R 8.58 4.59 0.00 1.70 1.56 0.00 2.89 0.00 0.00 2.90 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 82 T 7.55 5.12 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 1.17 0.00 0.00 83 D 8.68 4.82 0.00 2.79 2.74 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 84 K 8.34 4.00 0.00 1.60 1.84 0.00 0.90 0.00 0.00 1.30 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.07 0.34 7.81 85 Y 7.94 4.29 0.00 3.13 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 86 G 8.18 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 87 R 8.54 4.30 0.00 2.02 1.80 0.00 3.11 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 88 G 8.57 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 89 L 9.00 5.30 0.00 1.61 1.66 1.13 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.33 4.37 0.81 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 91 Y 8.64 4.76 0.00 3.13 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 92 I 8.68 4.79 1.75 0.00 0.00 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 0.90 0.44 0.85 0.00 0.00 93 Y 9.38 5.11 0.00 2.87 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 94 A 9.12 4.88 1.18 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 0.00 0.00 95 D 9.86 4.29 0.00 2.77 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 96 G 8.23 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 0.00 0.00 0.00 97 K 8.06 4.50 0.00 2.00 1.76 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 98 M 8.49 3.96 0.00 1.91 1.65 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.42 0.00 99 V 8.65 3.65 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 1.02 0.00 0.00 0.93 0.00 0.00 100 N 8.03 4.29 0.00 2.90 2.93 0.00 0.00 6.78 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 0.00 101 E 8.06 3.86 0.00 1.92 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 2.22 2.11 0.00 102 A 8.03 3.97 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.05 3.44 0.00 1.81 1.60 1.00 0.64 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 0.00 104 V 7.51 3.70 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 1.08 0.00 0.00 0.95 0.00 0.00 105 R 8.45 3.90 0.00 2.00 1.92 0.00 3.33 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 106 Q 7.83 4.21 0.00 1.95 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.28 0.00 0.00 0.00 0.00 0.00 1.94 2.22 0.00 107 G 8.01 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 0.00 108 L 7.78 4.60 0.00 1.24 1.47 0.49 0.39 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 0.00 109 A 7.54 4.62 1.14 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 0.00 0.00 110 K 8.77 4.81 0.00 1.65 1.92 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.54 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.22 1.14 7.81 111 V 9.27 4.34 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 0.77 0.00 0.00 0.95 0.00 0.00 112 A 8.59 4.26 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 0.00 113 Y 7.97 4.32 0.00 3.01 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 0.00 114 V 8.41 3.80 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 0.84 0.00 0.00 1.04 0.00 0.00 115 Y 8.44 4.54 0.00 3.08 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 0.00 116 K 9.27 3.79 0.00 1.53 1.61 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.38 7.81 117 G 7.94 4.02 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 0.00 0.00 0.00 118 N 7.98 4.83 0.00 2.95 2.85 0.00 0.00 6.68 7.62 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 0.00 119 N 8.13 5.14 0.00 2.95 3.03 0.00 0.00 6.09 7.22 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 0.00 120 T 8.56 3.85 4.16 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 0.00 0.00 1.06 0.00 0.00 121 H 8.07 4.88 0.00 2.95 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.37 4.00 0.00 2.14 2.14 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 2.36 2.42 0.00 123 Q 8.06 3.99 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 124 H 8.26 4.17 0.00 3.22 3.46 0.00 5.87 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 0.00 125 L 8.25 3.95 0.00 1.87 1.70 1.06 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.34 3.91 0.00 1.98 1.96 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 1.95 1.83 0.00 127 K 8.21 3.93 0.00 1.97 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.63 7.81 128 S 7.90 4.09 0.00 3.94 3.86 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 0.00 129 E 8.55 3.89 0.00 2.12 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 2.10 2.53 0.00 130 A 7.88 3.69 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 Q 7.96 3.78 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 132 A 8.01 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.65 3.27 0.00 1.02 1.43 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.99 0.21 7.81 134 K 7.95 3.83 0.00 1.79 1.93 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 7.95 4.27 0.00 1.99 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 2.29 2.48 0.00 136 K 7.87 4.16 0.00 1.88 1.90 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.36 7.81 137 L 8.03 4.38 0.00 1.95 1.56 0.93 0.82 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 0.00 138 N 9.32 3.51 0.00 2.56 1.60 0.00 0.00 7.11 7.25 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 0.00 139 I 5.42 3.03 1.33 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.21 -0.48 0.00 0.00 140 W 8.20 4.61 0.00 3.44 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 0.00 141 S 8.09 4.40 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00