NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3499 8.2493 123.5815 50.7227 21.0945 176.3954 2 K 4.2437 7.5360 112.3363 55.0510 35.3237 174.7545 3 K 4.3827 8.1848 123.2475 55.7320 34.6862 176.2128 4 V 4.4929 7.8669 122.0713 59.3578 34.4479 174.8358 5 Q 3.7229 8.2352 119.5336 55.6530 29.7912 176.0121 6 A 3.8179 9.1843 122.0731 53.9421 19.0426 177.1463 7 Y 3.4116 8.1762 122.2573 58.3856 36.6055 169.8107 8 V 4.2371 7.8529 117.4213 59.9119 34.2258 174.8306 9 K 4.9233 8.1464 120.4110 54.9373 35.8890 175.8020 10 L 4.4635 8.7497 122.8333 54.9299 44.3150 174.5388 11 Q 4.8566 8.7003 120.1644 54.4616 29.5403 175.0259 12 V 4.5309 7.9724 123.3445 59.1047 34.5628 175.2906 13 A 3.8575 8.7840 123.9110 52.4484 18.5653 176.4670 14 A 3.8860 8.3694 118.8429 53.3624 19.1069 179.2581 15 G 3.9204 7.3314 107.5845 41.0000 0.0000 172.0887 16 M 4.1148 7.5551 114.9411 55.4686 35.3860 173.5264 17 A 4.2653 8.5436 126.7548 52.2090 21.8427 174.1142 18 N 4.6127 9.4734 116.9774 53.5782 37.7281 173.3089 19 P 4.2512 0.0000 0.0000 62.9216 31.9835 176.6935 20 S 4.0095 8.6616 117.1009 61.1882 62.7471 173.5425 21 P 4.3868 0.0000 0.0000 65.3650 31.2880 176.1762 22 P 4.4436 0.0000 0.0000 65.2777 32.9608 177.3092 23 V 4.1994 7.6206 113.4721 61.4841 32.3914 181.0987 24 G 3.8513 9.3524 108.8719 45.2822 0.0000 173.1201 25 P 4.0836 0.0000 0.0000 65.9203 30.9893 175.9830 26 A 3.8377 7.7598 117.9831 55.2922 18.5222 178.8365 27 L 4.2437 7.5376 115.6306 56.5986 41.4309 178.8599 28 G 3.6202 8.0674 107.6367 47.8809 0.0000 175.6629 29 Q 3.9667 7.5365 119.3830 59.1233 28.8489 178.6367 30 Q 4.1332 7.5296 117.2655 57.4706 28.6305 177.5372 31 G 4.1257 7.3695 107.8753 45.4723 0.0000 173.9908 32 V 3.4034 7.3209 118.0537 62.0522 32.2966 176.5516 33 N 4.6922 8.0918 122.8054 52.0630 38.2479 175.9107 34 I 3.5821 8.2390 125.5359 64.8662 37.3578 177.0226 35 M 3.9344 8.1064 117.7094 59.0836 32.0579 177.6965 36 E 3.9803 8.4081 118.3816 59.6057 29.6871 178.4087 37 F 4.3593 8.5700 120.2638 61.5033 39.3848 176.1548 38 C 3.9582 8.3854 118.5025 62.8741 31.3755 176.0490 39 K 3.9708 7.9906 118.8330 59.1307 31.7145 179.2314 40 A 4.0801 8.4996 121.4927 55.6594 18.3775 178.9894 41 F 4.3870 8.7170 120.2826 61.4892 38.9243 176.7617 42 N 4.6322 8.5067 117.0622 54.8745 38.5623 177.3860 43 A 4.0347 7.6429 122.4021 55.2657 18.5734 179.7269 44 K 4.0726 7.5998 116.0163 58.9239 32.2640 179.5217 45 T 3.7806 7.5506 109.9967 64.0474 68.1981 176.2944 46 D 4.2774 7.2580 120.9513 57.4811 40.9113 177.8939 47 S 4.1739 7.7936 113.8698 61.4398 63.1149 174.9099 48 I 3.8470 7.1363 118.0913 59.9874 38.2819 174.8424 49 E 3.8523 8.7087 123.0573 56.9164 29.4045 177.5288 50 K 4.1399 8.4962 123.6106 57.1216 32.9585 177.7491 51 G 3.9527 8.9767 110.6279 45.0552 0.0000 172.7818 52 L 4.7830 7.4256 120.4008 51.8641 44.1413 173.6998 53 P 4.5434 0.0000 0.0000 63.3050 31.7501 175.3149 54 I 4.6032 7.9608 124.8609 58.2126 39.5617 173.1431 55 P 4.8038 0.0000 0.0000 62.6566 32.6101 175.3542 56 V 4.7412 8.8399 124.8097 59.6637 34.7998 174.7885 57 V 4.5439 8.0632 122.8787 61.3911 33.5775 174.1763 58 I 4.7161 7.9063 129.1716 60.1003 39.3865 174.7985 59 T 4.3527 8.6418 121.1809 60.2427 69.6081 173.0945 60 V 4.2228 8.2254 128.4986 61.8428 33.1086 174.3692 61 Y 4.9011 7.8201 122.5751 55.8238 40.4533 176.6597 62 A 4.1914 8.6769 122.7008 55.4999 18.5031 178.3428 63 D 4.4419 8.2031 114.1102 55.2699 41.4185 177.7794 64 R 4.1286 8.4013 116.3455 57.0495 29.1925 176.2138 65 S 4.7154 7.7878 113.5002 58.3809 63.6548 171.7772 66 F 5.0526 7.7227 113.9974 56.4956 39.8095 173.2056 67 T 5.0778 8.3989 109.0105 60.2224 72.4368 172.6316 68 F 5.7834 8.2246 116.0605 55.1759 41.2157 173.9368 69 V 4.2924 8.4887 114.3055 59.8947 33.8488 174.7252 70 T 4.5898 8.6464 121.6925 61.5812 67.4109 173.9683 71 K 4.5641 8.1066 134.3146 56.4424 32.8376 175.7711 72 T 4.6219 8.0474 117.8515 60.1332 69.2201 173.4370 73 P 4.5009 0.0000 0.0000 62.2295 31.9464 174.8320 74 P 4.3124 0.0000 0.0000 63.1358 33.1338 177.5262 75 A 3.9950 8.6122 122.0920 55.1112 18.3873 180.0401 76 A 3.9188 7.9684 118.8590 55.3620 18.5804 179.8387 77 V 3.5074 7.7285 116.0634 66.2694 31.7424 177.9185 78 L 4.0227 8.0586 118.6766 57.9706 41.4048 179.6569 79 L 4.0587 8.2873 119.1205 57.5579 41.4552 179.5919 80 K 4.0052 7.9799 118.5799 59.2890 31.9509 179.5524 81 K 3.9256 8.0479 118.2824 59.4624 31.8514 179.0822 82 A 3.9766 7.7874 119.3001 55.3932 18.4008 179.2778 83 A 4.3130 8.3915 117.7009 52.8680 18.5116 178.5587 84 G 3.7851 7.8538 105.0523 46.0651 0.0000 173.5721 85 I 4.3369 7.6849 113.3122 59.2816 39.6161 175.2966 86 K 4.3118 8.4891 118.4495 57.2639 33.3508 176.0623 87 S 4.8083 7.5988 110.1945 55.9205 66.5328 175.0584 88 G 4.1134 8.3866 114.5584 45.6044 0.0000 174.5618 89 S 4.5092 8.2043 113.7130 57.1163 63.9379 175.2696 90 G 4.0463 8.2530 113.4746 45.8029 0.0000 174.7941 91 K 4.5133 7.2117 120.0034 52.1779 31.9994 173.8537 92 P 4.3256 0.0000 0.0000 63.9289 32.4995 176.0390 93 N 4.8318 8.9252 121.2630 54.1541 37.4878 176.2190 94 K 4.0375 8.0087 117.2324 58.6346 32.5420 176.1891 95 D 4.7819 7.7277 117.0699 51.9162 43.3782 174.6199 96 K 5.0876 8.5578 125.4684 55.7621 33.7710 176.8214 97 V 4.1597 8.2889 115.3492 62.2369 33.3671 175.3115 98 G 4.3088 7.6368 106.3658 45.3406 0.0000 171.8282 99 K 5.3250 8.3966 117.7361 55.3179 36.0011 175.9254 100 I 4.9378 8.9496 122.0975 59.4786 41.6473 175.3775 101 S 5.0606 9.0751 120.9259 57.4712 63.3125 175.5814 102 R 3.9548 8.6910 121.0415 59.3745 29.7492 179.2896 103 A 4.2930 7.8089 121.6568 54.6136 18.4968 179.4259 104 Q 4.1938 7.8868 117.6810 58.6520 28.8380 178.9543 105 L 4.0494 7.9741 119.3965 58.1271 41.6326 179.5494 106 Q 4.1333 7.8295 116.8746 58.8888 28.0615 178.7051 107 E 4.0900 7.9878 119.2695 59.5039 29.4511 179.4617 108 I 3.7929 8.3240 120.1177 64.2006 37.1847 178.3780 109 A 3.9880 8.5481 122.0970 54.9287 17.9344 179.3881 110 Q 3.9980 7.8439 117.5938 59.2353 29.1573 178.0343 111 T 4.1149 7.5064 116.0417 66.2681 68.8936 176.6080 112 K 4.1906 8.5101 119.1993 57.6406 32.0962 178.8807 113 A 3.9459 7.7624 121.8708 55.4492 17.9948 179.3497 114 A 3.9671 8.0276 117.2807 54.9835 18.5957 178.5220 115 D 4.6517 8.1823 114.5132 53.9431 41.9077 176.5979 116 M 4.4771 6.9510 119.6123 54.3806 33.3115 176.2057 117 T 4.1625 8.4116 115.1858 62.1769 68.0716 175.0167 118 G 3.8325 8.1465 108.8149 46.8554 0.0000 173.3044 119 A 4.0982 8.8472 128.1378 54.3737 19.0594 177.1547 120 D 5.0762 7.6328 114.0286 50.7622 43.8491 176.6391 121 I 3.7246 8.2110 113.3741 64.1596 37.2821 177.9831 122 E 3.9153 8.2576 119.5228 59.1562 29.2862 178.8687 123 A 3.9829 8.9541 120.8474 55.6249 18.3787 179.5180 124 M 4.0001 7.8855 116.6199 58.8801 32.0645 179.1879 125 T 3.8834 8.2679 116.1688 66.7170 68.6281 176.7309 126 R 4.1697 8.0857 121.9345 58.9394 29.4462 178.4246 127 S 4.1287 8.4017 115.4048 61.9400 62.7377 176.8158 128 I 4.1371 7.6168 122.1661 63.9653 36.7730 178.1128 129 E 4.0538 8.1591 119.7194 59.4124 29.0305 179.6310 130 G 3.6272 8.1505 105.1485 47.5531 0.0000 175.5416 131 T 4.1230 7.3829 112.4682 64.3664 68.9071 176.9799 132 A 3.9878 8.2017 123.8710 55.1608 18.4998 179.8999 133 R 3.8695 8.2688 116.4721 59.0615 29.8456 178.9087 134 S 4.3482 7.5580 113.0556 60.0100 63.0459 175.1603 135 M 4.4627 8.2598 120.8402 54.3175 32.2228 176.9301 136 G 4.0417 7.5566 106.7655 46.7569 0.0000 172.6786 137 L 4.8456 7.7193 119.5369 52.6433 42.8535 176.8432 138 V 3.9253 8.3324 124.4451 62.6479 33.2214 175.0370 139 V 5.5425 8.4416 123.9523 60.1617 34.0020 174.1673 140 E 4.5769 8.6657 126.5393 54.5114 31.6975 175.7490 141 D 4.4586 8.6561 122.8957 54.3703 41.3820 175.5473 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 A 8.25 4.35 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 2 K 7.54 4.24 0.00 1.90 1.75 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.45 7.81 3 K 8.18 4.38 0.00 1.70 1.76 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.48 7.81 4 V 7.87 4.49 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 0.76 0.00 0.00 0.93 0.00 0.00 5 Q 8.24 3.72 0.00 2.44 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 6 A 9.18 3.82 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 7 Y 8.18 3.41 0.00 3.08 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 8 V 7.85 4.24 1.93 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 0.70 0.00 0.00 0.68 0.00 0.00 9 K 8.15 4.92 0.00 1.56 1.63 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.46 7.81 10 L 8.75 4.46 0.00 1.66 1.61 0.78 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.70 4.86 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 V 7.97 4.53 1.98 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 0.30 0.00 0.00 0.94 0.00 0.00 13 A 8.78 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 14 A 8.37 3.89 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 15 G 7.33 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 16 M 7.56 4.11 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 17 A 8.54 4.27 1.15 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 0.00 0.00 18 N 9.47 4.61 0.00 2.75 3.25 0.00 0.00 6.96 7.69 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 19 P 0.00 4.25 0.00 2.20 1.98 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 S 8.66 4.01 0.00 3.81 3.87 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 21 P 0.00 4.39 0.00 2.07 2.09 0.00 3.73 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 2.02 2.11 0.00 22 P 0.00 4.44 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 23 V 7.62 4.20 2.19 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 0.97 0.00 0.00 0.92 0.00 0.00 24 G 9.35 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 25 P 0.00 4.08 0.00 2.13 2.12 0.00 3.96 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 26 A 7.76 3.84 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 27 L 7.54 4.24 0.00 1.54 1.63 0.27 0.27 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 28 G 8.07 3.62 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 0.00 29 Q 7.54 3.97 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.68 0.00 30 Q 7.53 4.13 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 31 G 7.37 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 0.00 0.00 0.00 32 V 7.32 3.40 1.64 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 -0.67 0.00 0.00 0.58 0.00 0.00 33 N 8.09 4.69 0.00 3.17 2.91 0.00 0.00 6.90 7.35 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 34 I 8.24 3.58 1.88 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 1.49 0.94 0.93 0.00 0.00 35 M 8.11 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 36 E 8.41 3.98 0.00 2.22 2.42 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 2.46 2.44 0.00 37 F 8.57 4.36 0.00 3.41 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 38 C 8.39 3.96 0.00 3.11 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 39 K 7.99 3.97 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 40 A 8.50 4.08 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 0.00 0.00 0.00 0.00 0.00 41 F 8.72 4.39 0.00 1.52 2.38 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 42 N 8.51 4.63 0.00 2.77 2.80 0.00 0.00 6.56 8.77 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 43 A 7.64 4.03 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 44 K 7.60 4.07 0.00 1.89 1.80 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81 45 T 7.55 3.78 3.90 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 -0.09 0.00 0.00 46 D 7.26 4.28 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.79 4.17 0.00 3.94 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 48 I 7.14 3.85 1.83 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 1.29 0.74 0.90 0.00 0.00 49 E 8.71 3.85 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 50 K 8.50 4.14 0.00 1.73 1.71 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.40 7.81 51 G 8.98 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 52 L 7.43 4.78 0.00 1.61 1.60 0.93 1.01 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 53 P 0.00 4.54 0.00 2.11 2.13 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 54 I 7.96 4.60 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 1.18 0.00 0.00 55 P 0.00 4.80 0.00 2.19 2.21 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 56 V 8.84 4.74 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 1.35 0.00 0.00 57 V 8.06 4.54 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 0.58 0.00 0.00 0.95 0.00 0.00 58 I 7.91 4.72 1.44 0.00 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.00 0.65 0.00 0.00 59 T 8.64 4.35 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 1.23 0.00 0.00 60 V 8.23 4.22 1.98 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 0.93 0.00 0.00 0.69 0.00 0.00 61 Y 7.82 4.90 0.00 3.14 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 62 A 8.68 4.19 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 63 D 8.20 4.44 0.00 2.77 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 64 R 8.40 4.13 0.00 2.06 2.16 0.00 3.25 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 65 S 7.79 4.72 0.00 4.16 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.72 5.05 0.00 2.98 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 67 T 8.40 5.08 4.28 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 1.39 0.00 0.00 68 F 8.22 5.78 0.00 3.17 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 69 V 8.49 4.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 70 T 8.65 4.59 4.49 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 1.24 0.00 0.00 71 K 8.11 4.56 0.00 1.84 2.10 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.59 7.81 72 T 8.05 4.62 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 73 P 0.00 4.50 0.00 2.24 2.17 0.00 3.88 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 2.01 2.02 0.00 74 P 0.00 4.31 0.00 2.19 2.06 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 75 A 8.61 4.00 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 76 A 7.97 3.92 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 77 V 7.73 3.51 2.24 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 1.08 0.00 0.00 0.95 0.00 0.00 78 L 8.06 4.02 0.00 1.91 1.72 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.29 4.06 0.00 1.86 1.72 0.93 1.22 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 80 K 7.98 4.01 0.00 2.03 2.03 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 81 K 8.05 3.93 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 82 A 7.79 3.98 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 83 A 8.39 4.31 1.36 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 84 G 7.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.68 4.34 1.87 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 1.43 0.70 0.95 0.00 0.00 86 K 8.49 4.31 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.39 7.81 87 S 7.60 4.81 0.00 3.77 3.71 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 88 G 8.39 4.11 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 0.00 0.00 0.00 89 S 8.20 4.51 0.00 4.19 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 90 G 8.25 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 91 K 7.21 4.51 0.00 1.83 1.72 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 P 0.00 4.33 0.00 2.03 2.09 0.00 3.76 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 2.08 2.15 0.00 93 N 8.93 4.83 0.00 2.89 3.01 0.00 0.00 6.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.01 4.04 0.00 1.71 2.04 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 95 D 7.73 4.78 0.00 2.56 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 96 K 8.56 5.09 0.00 1.97 1.80 0.00 1.22 0.00 0.00 2.36 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 97 V 8.29 4.16 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 0.73 0.00 0.00 0.97 0.00 0.00 98 G 7.64 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 0.00 0.00 0.00 0.00 99 K 8.40 5.32 0.00 1.90 1.73 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.44 7.81 100 I 8.95 4.94 1.87 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 1.29 0.79 0.95 0.00 0.00 101 S 9.08 5.06 0.00 4.01 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 0.00 102 R 8.69 3.95 0.00 1.88 2.04 0.00 3.29 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 103 A 7.81 4.29 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 0.00 104 Q 7.89 4.19 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 105 L 7.97 4.05 0.00 1.83 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.83 4.13 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 107 E 7.99 4.09 0.00 2.22 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 2.33 2.62 0.00 108 I 8.32 3.79 2.00 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 1.46 0.91 0.92 0.00 0.00 109 A 8.55 3.99 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 0.00 110 Q 7.84 4.00 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 111 T 7.51 4.11 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 112 K 8.51 4.19 0.00 1.77 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 113 A 7.76 3.95 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 0.00 114 A 8.03 3.97 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 0.00 115 D 8.18 4.65 0.00 2.66 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 0.00 116 M 6.95 4.48 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.47 0.00 117 T 8.41 4.16 4.25 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 1.22 0.00 0.00 118 G 8.15 3.83 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 0.00 0.00 0.00 119 A 8.85 4.10 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 0.00 120 D 7.63 5.08 0.00 3.01 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 3.72 1.87 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 1.64 1.43 0.91 0.00 0.00 122 E 8.26 3.92 0.00 2.33 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 0.00 2.40 2.45 0.00 123 A 8.95 3.98 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 0.00 124 M 7.89 4.00 0.00 2.12 2.14 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 2.77 2.60 0.00 125 T 8.27 3.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 126 R 8.09 4.17 0.00 2.00 2.04 0.00 3.16 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 127 S 8.40 4.13 0.00 4.08 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 0.00 128 I 7.62 4.14 2.01 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 1.53 0.87 0.92 0.00 0.00 129 E 8.16 4.05 0.00 2.22 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 2.33 2.57 0.00 130 G 8.15 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 0.00 131 T 7.38 4.12 4.25 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 1.25 0.00 0.00 132 A 8.20 3.99 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 0.00 133 R 8.27 3.87 0.00 1.86 2.00 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 134 S 7.56 4.35 0.00 4.02 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 0.00 135 M 8.26 4.46 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 136 G 7.56 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 0.00 137 L 7.72 4.85 0.00 1.63 1.63 0.93 0.98 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 0.00 138 V 8.33 3.93 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 0.83 0.00 0.00 0.93 0.00 0.00 139 V 8.44 5.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.97 0.00 0.00 140 E 8.67 4.58 0.00 2.04 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 2.28 2.23 0.00 141 D 8.66 4.46 0.00 2.64 2.58 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