NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7816 8.4449 117.8254 56.2382 29.9843 172.8006 1D H 4.7294 8.7657 118.9590 55.3758 29.7384 172.1260 1E H 5.0575 7.5667 115.9462 53.6593 33.4497 172.1420 1F H 4.6354 8.8641 117.1566 55.8546 29.0691 174.3876 1G F 4.8063 8.4127 119.3695 57.8286 39.8952 174.1254 2 N 4.6282 8.5322 117.2484 52.3254 38.9423 174.4373 3 L 4.7334 8.0885 123.5113 52.1447 43.7676 174.7375 4 P 4.5296 0.0000 0.0000 61.4580 32.3479 174.2444 5 P 4.3752 0.0000 0.0000 62.6443 32.1955 174.7158 6 G 4.0878 7.8179 104.6697 43.5802 0.0000 172.2009 7 N 4.5562 8.0028 116.5545 51.3759 40.4180 173.7453 8 Y 4.9115 7.9862 112.6093 57.8772 38.5311 177.3097 9 K 4.1589 8.4491 122.6467 58.6265 32.2753 177.3921 10 K 4.7303 7.6172 115.5938 53.2922 35.5264 173.7105 11 P 4.8592 0.0000 0.0000 63.2176 32.5034 174.8273 12 K 4.7644 9.1782 118.9482 56.1993 36.5694 174.4438 13 L 5.1697 9.2434 120.4410 53.1832 44.7560 176.2304 14 L 5.2330 8.6156 121.3685 53.4615 44.2587 174.4071 15 Y 4.7213 9.1630 126.5476 56.3716 40.7250 173.6203 16 C 4.5528 8.1967 127.9276 57.2927 32.6417 174.5584 17 S 3.8963 8.2121 121.4002 59.8821 63.3657 175.6129 18 N 3.9205 7.9962 119.9570 56.2885 38.4071 175.3130 19 G 3.9547 7.3986 101.3278 44.2070 0.0000 172.1045 20 G 3.8913 7.1469 106.5982 45.0013 0.0000 173.5097 21 H 5.1287 7.4175 115.1299 53.5950 32.4972 173.8863 22 F 5.1889 9.1869 120.5132 55.8829 40.9939 175.2517 23 L 4.5130 9.0635 126.0560 55.3438 43.2282 175.6523 24 R 4.9253 9.3670 126.1088 54.6319 33.8158 174.0245 25 I 4.7713 8.2734 126.0473 59.3107 39.1954 175.6413 26 L 4.0597 8.7371 127.7708 53.4612 42.2426 176.8963 27 P 4.1436 0.0000 0.0000 65.7912 31.2576 177.2162 28 D 4.5442 7.9618 114.6121 53.4883 39.8332 177.0634 29 G 4.0450 8.4074 110.2630 45.6352 0.0000 174.0338 30 T 4.2508 8.4185 117.8981 63.4008 68.9945 173.4114 31 V 4.8473 8.1121 125.2199 61.1430 34.2221 174.2884 32 D 4.5678 8.5045 126.1465 52.9852 42.7855 174.1063 33 G 4.5631 8.6828 104.8607 45.3607 0.0000 172.3432 34 T 5.0048 8.8785 115.4371 60.4756 71.0667 174.6260 35 R 4.4940 8.9095 124.1994 56.6133 30.9761 176.3955 36 D 4.6010 8.2727 119.1587 53.3113 40.1319 176.7994 37 R 3.5210 8.5617 126.9307 58.4338 30.1835 178.0665 38 S 4.3931 7.9673 110.1790 57.9982 63.7890 173.8670 39 D 4.3507 7.8459 121.6850 55.4294 41.2300 175.8812 40 Q 4.4012 8.4207 122.7629 56.2519 29.1627 175.5828 41 H 4.9590 9.3504 115.3809 55.4314 29.8386 174.9113 42 I 4.4945 7.2229 112.3013 60.4413 38.5257 175.7210 43 Q 4.1663 7.9818 121.0521 55.8956 29.1647 175.3551 44 L 4.7829 9.1219 124.9451 52.8579 45.0361 175.4423 45 Q 4.7252 8.9353 125.8467 54.7797 29.9487 174.2829 46 L 5.1439 8.4838 126.9255 53.9055 43.4730 176.5133 47 S 4.5793 8.5745 115.3299 56.7158 66.7533 172.6589 48 A 4.7787 8.4144 123.0323 51.9717 20.7839 175.4226 49 E 4.1634 9.0272 121.4053 56.7453 28.6866 179.0198 50 S 4.5134 5.8100 112.7338 57.1666 64.4953 173.6011 51 V 3.8072 8.2211 121.6810 64.8857 31.5631 176.4517 52 G 3.9394 9.2469 114.8997 45.0773 0.0000 171.9630 53 E 5.1565 8.2442 119.8204 54.6946 32.1983 175.6160 54 V 4.8869 8.8128 116.0681 59.9544 36.7449 173.9631 55 Y 5.0525 8.9919 120.0055 56.5145 41.2268 175.3823 56 I 4.3564 8.5509 121.9213 59.6416 40.5295 173.8928 57 K 4.6274 8.7148 129.7475 54.4206 33.8554 176.6669 58 S 4.7226 8.6779 122.9877 57.4753 63.9879 174.5059 59 T 3.8068 8.1740 110.4816 64.4491 68.4858 175.3759 58 T 4.6026 8.5179 120.8877 60.9753 69.9879 174.6059 59 G 3.4168 8.3540 105.6816 47.7491 0.0000 175.5759 63 Q 4.5849 7.2411 117.6945 55.2507 30.5265 174.4925 64 Y 4.8666 8.7029 118.3947 55.7772 41.3782 175.4082 65 L 4.3515 8.9922 126.1467 55.4784 43.4659 175.6358 66 A 5.2328 8.7761 126.0831 50.6317 23.2504 174.3379 67 M 5.4590 8.6219 119.4690 53.8325 34.7584 175.6674 68 D 5.2408 9.7184 126.3562 51.9338 41.0397 176.9749 69 T 4.1621 8.5426 108.2925 63.8758 68.6744 174.4661 70 D 4.6923 8.4641 120.7464 54.0594 41.5487 176.8923 71 G 3.3306 8.6684 108.5479 45.3344 0.0000 172.9232 72 L 4.7685 8.0995 119.5163 53.0397 43.1061 176.0134 73 L 5.2261 8.2627 122.3848 54.8539 43.0787 175.4526 74 Y 4.7325 8.5118 118.0194 56.2761 41.8107 173.3764 75 G 4.2015 9.0960 109.4428 45.4340 0.0000 173.5303 76 S 4.8846 9.2441 122.2872 57.6185 63.4835 175.3233 77 Q 4.1890 8.9972 124.5204 58.0299 29.0013 176.3486 78 T 4.6523 7.5812 106.4313 58.7921 71.7113 172.0383 79 P 4.0277 0.0000 0.0000 61.7390 31.1441 174.4380 80 N 5.1084 8.1145 121.5874 50.6383 40.3392 174.3139 81 E 3.9825 8.8807 114.8288 59.7271 29.2176 177.7340 82 E 4.1122 8.8182 117.9295 57.7003 29.7396 177.3877 83 C 5.1665 7.9621 115.4053 58.8673 29.1116 173.4181 84 L 4.2578 7.2152 121.2125 53.7878 42.7943 175.6970 85 F 5.1340 8.7399 121.4547 55.5502 43.4554 174.2800 86 L 4.7124 9.2675 123.0824 53.9548 42.6357 175.5520 87 E 4.4950 8.8663 126.9408 55.1412 30.1635 175.6266 88 R 4.8202 8.5647 125.6781 53.9881 34.6678 174.7494 89 L 4.7094 8.7060 124.1848 55.1845 43.1135 175.8291 90 E 4.7076 9.0716 125.2912 55.1203 33.5036 175.0599 91 E 3.9803 9.7305 123.8509 57.9417 27.3143 174.3168 92 N 4.3211 8.5463 110.2624 54.1809 36.6533 174.1047 93 H 4.8135 8.4308 116.2316 57.7810 36.6844 173.5438 94 Y 4.6753 7.8268 115.9993 57.6367 39.9452 173.4897 95 N 5.5727 9.6226 118.1251 51.8816 41.4112 174.4725 96 T 5.3070 8.8363 112.8345 60.1359 72.9233 172.5063 97 Y 4.9823 8.6993 119.3976 56.5688 41.5738 174.1883 98 I 4.6346 8.5473 125.8433 59.0169 39.7102 175.3702 99 S 3.9250 8.7774 122.1812 58.7269 62.3269 174.1246 100 K 3.9709 8.7282 129.2126 59.3464 32.3304 178.7045 101 K 3.8222 7.9052 117.8939 58.9503 32.2141 177.5210 102 H 4.8656 8.2123 116.6925 54.4945 30.0361 176.7509 103 A 3.9481 7.6360 125.6962 55.2578 17.8466 179.8887 104 E 3.9002 8.0753 114.3904 58.5063 29.8858 178.2849 105 K 4.0923 7.6740 117.6645 55.8158 32.7021 175.8659 106 N 3.9937 7.6061 115.4384 53.9629 36.3988 174.5486 107 W 5.0162 7.8264 117.8191 55.9022 30.8755 176.9631 108 F 5.4809 9.1383 123.7000 55.4359 41.3004 175.6121 109 V 3.9848 9.0146 121.6754 63.1120 32.5813 175.2233 110 G 4.4431 8.5881 112.5617 45.2606 0.0000 171.4585 111 L 5.2960 8.2048 121.5972 52.3719 44.4802 177.2337 112 K 4.2257 9.1360 123.9021 55.6949 32.8180 178.3227 113 K 4.0386 8.3706 119.3069 59.3013 31.9733 178.0642 114 N 4.5437 8.0777 114.0048 52.8649 37.6175 175.9378 115 G 3.5320 8.1920 108.6176 45.3423 0.0000 173.6509 116 S 4.7696 8.3535 115.1037 56.9687 64.6098 173.4721 117 C 4.7509 8.2684 119.4925 59.9204 28.6171 173.7233 118 K 4.3616 8.8270 122.3165 56.1049 33.2618 176.3521 119 R 4.4189 8.2504 120.3588 54.6808 31.8825 177.5599 120 G 3.3624 8.9957 114.4098 48.2645 0.0000 174.1139 121 P 4.1770 0.0000 0.0000 64.3025 31.3538 177.3539 122 R 4.4108 7.8648 116.0444 55.9311 30.2261 175.9351 123 T 5.2213 7.5190 108.3726 59.4281 70.8686 173.1819 124 H 4.6619 7.7972 115.2133 55.0656 30.2445 173.2783 125 Y 3.8254 8.7411 118.4581 60.1079 38.0369 177.2818 126 G 4.0490 9.0301 111.6049 45.2733 0.0000 173.6433 127 Q 4.2563 7.3554 118.8827 54.8183 29.9265 177.3382 128 K 3.8484 8.3612 120.3615 59.1060 32.6701 179.4111 129 A 3.8996 7.7705 121.6622 54.4063 18.3933 178.4237 130 I 4.3763 6.7236 105.3003 60.4449 38.2018 175.4997 131 L 4.3311 7.0147 122.1977 54.0283 42.0890 176.1655 132 F 5.1351 9.4866 122.8307 55.4544 43.3021 174.1586 133 L 5.2833 9.1733 123.1018 52.5403 44.6899 173.8916 134 P 5.1173 0.0000 0.0000 63.0402 32.2054 175.7301 135 L 4.9895 9.2507 122.5253 52.2396 46.1563 174.4713 136 P 4.7076 0.0000 0.0000 62.5777 32.4734 177.0324 137 V 3.8202 8.1430 113.6659 61.7596 31.6763 176.3943 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 1C H 8.44 4.78 0.00 3.09 3.26 0.00 5.64 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 1D H 8.77 4.73 0.00 3.15 3.21 0.00 5.64 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 1E H 7.57 5.06 0.00 3.12 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.86 4.64 0.00 3.32 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.41 4.81 0.00 2.87 3.06 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 2 N 8.53 4.63 0.00 2.93 2.78 0.00 0.00 6.90 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.09 4.73 0.00 1.49 1.42 0.61 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.53 0.00 2.20 2.08 0.00 3.69 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 1.97 1.91 0.00 5 P 0.00 4.38 0.00 2.17 2.06 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 6 G 7.82 4.09 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 0.00 0.00 0.00 7 N 8.00 4.56 0.00 2.63 2.65 0.00 0.00 5.87 7.55 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 8 Y 7.99 4.91 0.00 3.03 3.23 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 9 K 8.45 4.16 0.00 1.88 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.50 7.81 10 K 7.62 4.73 0.00 1.71 1.68 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.86 0.00 2.07 2.06 0.00 3.79 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 1.99 1.96 0.00 12 K 9.18 4.76 0.00 2.02 1.97 0.00 1.38 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.51 7.81 13 L 9.24 5.17 0.00 1.77 1.85 0.62 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.62 5.23 0.00 1.52 1.59 0.28 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.16 4.72 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 16 C 8.20 4.55 0.00 2.37 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 0.00 0.00 0.00 0.00 17 S 8.21 3.90 0.00 4.07 4.17 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 18 N 8.00 3.92 0.00 2.58 2.67 0.00 0.00 6.73 7.98 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 19 G 7.40 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 20 G 7.15 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 0.00 0.00 0.00 21 H 7.42 5.13 0.00 3.05 3.25 0.00 5.80 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 22 F 9.19 5.19 0.00 3.05 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.06 4.51 0.00 1.77 1.50 0.94 0.55 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 24 R 9.37 4.93 0.00 1.91 2.02 0.00 3.21 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 25 I 8.27 4.77 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.88 0.00 0.00 26 L 8.74 4.06 0.00 1.79 1.50 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.14 0.00 1.99 2.11 0.00 3.50 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 28 D 7.96 4.54 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.41 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 T 8.42 4.25 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 31 V 8.11 4.85 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 0.83 0.00 0.00 0.93 0.00 0.00 32 D 8.50 4.57 0.00 2.88 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 33 G 8.68 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.88 5.00 4.33 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 1.35 0.00 0.00 35 R 8.91 4.49 0.00 1.93 2.06 0.00 3.27 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 36 D 8.27 4.60 0.00 2.82 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 37 R 8.56 3.52 0.00 1.77 1.82 0.00 3.33 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 38 S 7.97 4.39 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.85 4.35 0.00 2.75 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 40 Q 8.42 4.40 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.16 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 41 H 9.35 4.96 0.00 3.25 3.46 0.00 5.79 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 42 I 7.22 4.49 1.91 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.92 1.07 0.00 0.00 43 Q 7.98 4.17 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 44 L 9.12 4.78 0.00 1.58 1.45 0.80 0.48 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 45 Q 8.94 4.73 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 46 L 8.48 5.14 0.00 1.70 1.37 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.57 4.58 0.00 3.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.41 4.78 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 49 E 9.03 4.16 0.00 1.82 1.60 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 2.30 2.33 0.00 50 S 5.81 4.51 0.00 4.10 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 51 V 8.22 3.81 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 0.93 0.00 0.00 1.04 0.00 0.00 52 G 9.25 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 0.00 0.00 0.00 53 E 8.24 5.16 0.00 1.98 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 2.22 2.29 0.00 54 V 8.81 4.89 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 0.63 0.00 0.00 1.15 0.00 0.00 55 Y 8.99 5.05 0.00 2.95 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 56 I 8.55 4.36 1.75 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.76 0.70 0.00 0.00 57 K 8.71 4.63 0.00 1.37 1.53 0.00 1.32 0.00 0.00 1.29 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.01 0.60 7.81 58 S 8.68 4.72 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.17 3.81 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 1.32 0.00 0.00 58 T 8.52 4.60 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 59 G 8.35 3.42 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 0.00 63 Q 7.24 4.58 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 64 Y 8.70 4.87 0.00 2.92 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.99 4.35 0.00 1.61 1.49 0.79 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.78 5.23 0.59 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 67 M 8.62 5.46 0.00 2.22 2.26 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 2.58 2.70 0.00 68 D 9.72 5.24 0.00 2.99 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 69 T 8.54 4.16 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 70 D 8.46 4.69 0.00 2.81 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 71 G 8.67 3.33 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 0.00 72 L 8.10 4.77 0.00 2.08 1.63 0.90 0.30 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 73 L 8.26 5.23 0.00 1.57 1.62 0.90 0.89 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 74 Y 8.51 4.73 0.00 3.01 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 75 G 9.10 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 0.00 0.00 0.00 0.00 76 S 9.24 4.88 0.00 3.72 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 77 Q 9.00 4.19 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.58 4.65 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 1.23 0.00 0.00 79 P 0.00 4.03 0.00 1.10 0.49 0.00 3.53 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.00 80 N 8.11 5.11 0.00 2.91 2.94 0.00 0.00 5.92 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 81 E 8.88 3.98 0.00 2.03 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 0.00 2.27 2.33 0.00 82 E 8.82 4.11 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 83 C 7.96 5.17 0.00 3.20 3.26 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 84 L 7.22 4.26 0.00 1.32 1.29 0.77 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.74 5.13 0.00 3.12 3.06 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 86 L 9.27 4.71 0.00 1.50 1.58 0.90 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 87 E 8.87 4.50 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.86 0.00 88 R 8.56 4.82 0.00 1.76 1.79 0.00 3.10 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 89 L 8.71 4.71 0.00 1.60 1.69 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.07 4.71 0.00 2.21 1.86 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 2.27 2.41 0.00 91 E 9.73 3.98 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 92 N 8.55 4.32 0.00 2.84 2.89 0.00 0.00 6.87 8.16 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 93 H 8.43 4.81 0.00 2.86 2.92 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.83 4.68 0.00 2.98 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 95 N 9.62 5.57 0.00 3.02 2.67 0.00 0.00 6.95 7.09 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 96 T 8.84 5.31 4.53 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 1.34 0.00 0.00 97 Y 8.70 4.98 0.00 2.79 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 98 I 8.55 4.63 1.68 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.53 0.60 0.00 0.00 99 S 8.78 3.93 0.00 4.06 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 0.00 100 K 8.73 3.97 0.00 1.66 1.64 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.91 3.82 0.00 1.76 1.59 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.96 1.35 7.81 102 H 8.21 4.87 0.00 3.10 2.37 0.00 5.69 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 0.00 103 A 7.64 3.95 1.39 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 0.00 0.00 0.00 104 E 8.08 3.90 0.00 1.88 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 2.18 2.14 0.00 105 K 7.67 4.09 0.00 0.79 1.16 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.04 0.88 7.81 106 N 7.61 3.99 0.00 3.05 3.14 0.00 0.00 6.91 7.70 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 0.00 107 W 7.83 5.02 0.00 3.34 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 0.00 108 F 9.14 5.48 0.00 2.82 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 0.00 109 V 9.01 3.98 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 0.65 0.00 0.00 0.59 0.00 0.00 110 G 8.59 4.44 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 0.00 111 L 8.20 5.30 0.00 1.41 1.51 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.14 4.23 0.00 1.96 1.70 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.36 7.81 113 K 8.37 4.04 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.36 7.81 114 N 8.08 4.54 0.00 2.79 2.90 0.00 0.00 6.17 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.19 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 0.00 116 S 8.35 4.77 0.00 3.95 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 0.00 117 C 8.27 4.75 0.00 2.88 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 0.00 118 K 8.83 4.36 0.00 1.58 1.69 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.37 7.81 119 R 8.25 4.42 0.00 1.60 1.60 0.00 3.11 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 120 G 9.00 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 0.00 0.00 0.00 121 P 0.00 4.18 0.00 1.88 2.14 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.21 0.00 122 R 7.86 4.41 0.00 1.81 1.90 0.00 3.28 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 123 T 7.52 5.22 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 1.38 0.00 0.00 124 H 7.80 4.66 0.00 3.45 3.53 0.00 5.67 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 0.00 125 Y 8.74 3.83 0.00 3.13 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 0.00 126 G 9.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.36 4.26 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.76 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 128 K 8.36 3.85 0.00 1.73 1.65 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 7.77 3.90 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 0.00 130 I 6.72 4.38 1.68 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.80 0.63 0.00 0.00 131 L 7.01 4.33 0.00 1.01 0.75 0.25 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.49 5.14 0.00 3.36 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 0.00 133 L 9.17 5.28 0.00 2.11 1.72 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.12 0.00 2.20 2.19 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 135 L 9.25 4.99 0.00 1.68 1.61 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.71 0.00 1.94 1.99 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 137 V 8.14 3.82 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 0.65 0.00 0.00 0.92 0.00 0.00