NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 3.6444 8.1849 122.3957 54.6711 43.2296 175.7795 -3 Y 4.8273 8.1861 121.3572 54.3979 40.8199 174.3084 -2 F 5.1907 9.1089 118.6836 56.2077 41.6499 174.1118 -1 Q 4.1842 8.5926 121.5547 57.4695 29.0603 177.9459 0 G 3.7675 8.9388 105.7650 46.0581 0.0000 171.0660 -2 P 4.9907 0.0000 0.0000 61.8077 34.1499 175.6118 -1 H 4.5742 8.6926 119.9547 56.7695 28.6603 176.0459 0 L 4.1475 8.7688 118.7650 56.0581 39.3010 173.7660 5 V 4.7611 8.7038 126.0361 61.2350 34.2419 173.9229 6 I 4.8095 8.7826 129.3118 59.5969 39.6110 174.4482 7 E 4.8868 9.4567 126.2499 54.2967 32.7664 174.9005 8 A 4.9427 8.1069 125.3103 49.7513 22.4936 175.5874 9 T 3.4200 7.9513 112.6330 61.1663 69.2042 175.6185 10 A 3.9081 8.0454 127.1485 55.1327 18.5334 178.3801 11 N 4.6210 7.2779 110.7564 53.3173 37.8727 174.8751 12 L 4.1980 7.6820 122.8473 55.0900 43.0129 175.9413 13 R 4.6177 9.3279 125.6848 54.7517 31.9569 175.5685 14 L 5.1016 8.3588 123.4364 53.2204 43.4867 176.7317 15 E 4.2658 9.4361 121.7549 58.9782 30.1044 176.5332 16 T 4.6048 7.4479 107.4494 58.9539 72.2090 173.5868 17 S 4.3572 8.1779 115.9749 57.2502 65.2235 172.9667 18 P 3.5231 0.0000 0.0000 65.3475 30.8364 179.0451 19 G 3.5738 7.8127 103.8867 47.9669 0.0000 175.1821 20 E 3.9342 8.0224 122.0080 58.5666 29.5096 178.6252 21 L 3.9224 7.9759 120.6089 58.0179 42.0830 178.8136 22 L 3.9977 8.1016 119.2051 57.8929 41.5060 179.2554 23 E 3.9587 8.2526 118.3372 59.6959 29.4443 179.5293 24 Q 3.9850 8.2750 117.6763 58.8579 28.7108 178.8285 25 A 4.0211 8.3122 121.9816 55.3350 18.4377 179.4435 26 N 4.3020 8.5717 115.1854 56.3507 38.4876 177.5383 27 A 4.1089 8.3752 122.1472 55.1230 18.2777 179.5453 28 A 3.9883 7.9922 118.1860 55.2833 18.7849 179.5907 29 L 4.2721 8.2473 117.6182 58.0675 41.7540 179.5193 30 F 4.3575 8.8840 120.8390 61.2555 39.1408 176.8116 31 A 4.0338 8.3159 119.6321 54.2662 18.1775 179.2657 32 S 4.1486 7.7087 112.4730 59.3773 63.0601 175.6862 33 G 3.6528 7.4769 109.1597 45.7570 0.0000 173.8954 34 Q 4.0459 7.3014 117.4209 55.6235 29.4127 175.7405 35 F 5.4013 7.3480 115.4196 55.1729 43.1379 174.7763 36 G 4.1863 9.0523 111.7450 44.8296 0.0000 174.2391 37 E 3.5472 9.2043 123.3646 59.0550 29.6212 178.7280 38 A 4.2834 7.9042 117.9875 53.6652 18.7683 177.4346 39 D 4.6361 8.0424 115.4897 55.0077 41.5549 176.0346 40 I 4.2494 7.1964 119.6501 60.5944 37.5176 175.8652 41 K 4.6380 8.5911 127.3870 54.5999 34.1376 175.8337 42 S 5.9578 8.7055 119.5135 56.7048 66.0437 173.5213 43 R 4.8381 8.3555 116.1198 54.8855 33.0160 173.1321 44 F 5.2628 8.8688 122.3586 56.4454 42.2118 174.1277 45 V 4.4080 8.2436 125.8503 61.3343 34.1856 174.1080 46 T 4.7220 8.4847 124.4213 62.4155 69.9233 174.1831 47 L 4.3286 8.7716 127.7525 54.2183 42.1591 177.7195 48 E 4.1721 9.1096 123.7702 57.2184 30.2003 176.0965 49 A 4.5417 8.0013 120.7564 50.3727 20.1308 174.4929 50 Y 5.0325 7.3627 118.4082 56.5096 41.0952 174.8799 51 R 4.6839 8.5209 118.9480 54.7547 34.2525 174.4388 52 Q 4.4700 8.5934 122.3846 54.9872 31.5212 176.1668 53 G 3.9178 8.7835 115.9953 45.7663 0.0000 172.3319 54 T 4.4528 8.3558 106.2864 61.4593 70.8613 174.5438 55 A 4.0631 7.9527 123.9456 52.2764 19.3783 177.0547 56 A 4.4983 8.1949 123.5168 51.3843 18.3211 178.2258 57 V 4.6170 7.1079 119.2443 59.7097 35.3941 173.9399 58 E 4.3662 9.0209 127.8163 56.2439 30.6429 175.4077 59 R 5.1350 8.6704 124.0186 54.5828 34.4804 174.0852 60 A 4.9400 8.6266 122.2575 50.5279 22.4773 174.6638 61 Y 5.0636 8.0158 116.7542 55.7351 42.4809 173.6500 62 L 5.2325 9.0225 121.4697 53.9272 45.7672 174.4055 63 H 5.5388 9.5166 125.0898 54.5171 33.7515 171.6889 64 A 5.1679 8.7403 125.5426 50.1665 23.0592 174.5513 65 C 4.9615 8.8798 120.1075 57.5335 34.6956 172.5431 66 L 5.1768 8.8762 129.9146 54.1079 43.2201 175.1500 67 S 5.3533 8.6983 122.9163 56.8604 64.8091 173.4415 68 I 4.6189 8.3652 117.7564 58.3537 41.1689 174.9042 69 L 4.3544 8.3192 122.5650 54.2700 41.7909 177.2886 70 D 4.8319 8.0600 121.1696 53.7767 39.8637 176.1686 71 G 3.6435 8.8248 109.3201 45.8995 0.0000 174.7658 72 R 4.2293 7.6890 118.9555 55.4059 31.3137 176.2965 73 D 4.6548 8.2809 119.9683 52.6072 41.9003 177.2299 74 A 3.9645 8.4831 121.2202 55.4626 18.2417 179.7894 75 A 3.9783 7.9407 118.6302 55.4350 18.4727 179.9089 76 T 3.7784 8.3016 114.2752 66.9088 68.5738 177.1318 77 R 3.9543 7.8478 119.6801 59.2707 30.0604 178.9692 78 Q 3.9235 8.2089 119.0756 59.1205 29.0941 178.0777 79 A 3.9979 8.2413 121.9954 55.1384 18.5374 179.5499 80 L 4.0963 8.0972 117.6172 57.9828 41.6908 180.0676 81 G 3.6230 8.1251 105.6628 47.7658 0.0000 175.4157 82 E 3.9503 8.4076 121.9030 58.9695 29.5127 178.7918 83 S 4.1255 8.2511 113.2854 61.4231 62.3607 176.2381 84 L 4.0317 7.9004 121.3342 57.8712 41.3064 178.9462 85 C 4.0915 8.3313 118.8336 62.2495 31.3652 175.2156 86 E 3.9040 8.2869 120.9617 59.2567 29.0411 178.9104 87 V 3.5837 7.2859 116.6876 66.0329 32.0165 177.6351 88 L 4.1496 8.2434 118.6288 57.8683 41.3963 179.3885 89 A 4.1359 8.4511 121.2001 55.1989 18.1173 179.9169 90 G 3.6157 8.2584 102.8109 47.2322 0.0000 175.1250 91 A 4.3631 7.8447 121.8901 52.3665 18.5118 177.0018 92 V 3.9355 7.1073 117.9052 62.3269 31.9602 175.5018 93 A 4.3436 9.0324 131.5226 52.8150 19.3293 177.0163 94 G 3.9413 7.4704 102.5249 45.5210 0.0000 171.1826 95 G 4.5582 9.1289 114.7697 46.2010 0.0000 174.5421 96 G 4.4000 8.3015 111.6807 44.5757 0.0000 173.5225 97 E 4.6085 8.7937 119.7550 55.8929 30.1848 175.1794 98 E 4.8092 7.6145 116.2158 55.5214 31.9184 174.6641 99 G 3.7808 8.6172 107.2089 46.3588 0.0000 172.5754 100 V 4.5265 7.9893 119.4768 60.8537 33.4497 175.1428 101 Q 4.2825 8.7928 127.4957 55.8013 29.8612 175.0008 102 V 5.1710 8.4621 123.9802 61.1719 33.9922 174.6268 103 S 4.8368 9.0979 120.8582 56.9155 67.0596 173.0047 104 V 4.7349 8.2005 120.0465 61.4072 34.0881 173.9102 105 E 4.5763 9.1572 129.5048 54.9060 31.6283 174.5706 106 V 4.8641 8.3787 126.1962 61.1836 33.4156 174.6248 107 R 4.7766 9.2727 124.0636 54.7128 33.0746 174.4812 108 E 5.6731 8.1389 117.8497 53.5670 32.3958 174.1324 *110 E 4.5561 8.7120 119.0219 56.5705 30.3239 177.3113 111 R 3.9569 8.9698 123.5105 58.8603 30.0303 178.6945 112 A 4.0604 8.1499 120.8813 54.2253 18.4353 177.8142 113 S 4.6173 7.5699 107.5024 58.0808 63.8537 173.5718 114 Y 4.2327 7.8939 123.4033 57.3561 38.8077 174.1966 115 A 4.7269 8.0042 130.2530 50.2275 21.2443 175.6359 116 K 4.6514 8.0547 119.2936 55.7625 35.5518 175.5880 117 R 4.8228 8.4012 118.1877 55.0651 34.1591 174.4446 118 V 4.0212 8.1276 119.6851 60.9584 33.0405 175.2893 119 V 3.9025 8.1967 127.2489 61.1989 31.4070 175.3950 120 A 4.1158 8.2575 130.3189 52.0114 19.0383 176.9450 121 R 4.0796 8.2959 118.5324 56.6043 30.1899 176.3923 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 -4 L 8.18 3.64 0.00 1.45 1.52 0.86 0.48 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 -3 Y 8.19 4.83 0.00 3.15 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 -2 F 9.11 5.19 0.00 3.30 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.59 4.18 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.16 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 0 G 8.94 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 -2 P 0.00 4.99 0.00 2.45 1.86 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 -1 H 8.69 4.57 0.00 3.43 3.42 0.00 7.30 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.77 4.15 0.00 1.56 1.66 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.70 4.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 6 I 8.78 4.81 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.93 0.00 0.00 7 E 9.46 4.89 0.00 1.83 1.73 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 2.14 2.17 0.00 8 A 8.11 4.94 1.10 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 0.00 0.00 0.00 9 T 7.95 3.42 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 -0.40 0.00 0.00 10 A 8.05 3.91 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 11 N 7.28 4.62 0.00 2.74 3.05 0.00 0.00 6.94 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.68 4.20 0.00 1.53 1.63 0.94 1.11 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 13 R 9.33 4.62 0.00 1.88 1.82 0.00 3.16 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 14 L 8.36 5.10 0.00 1.62 1.58 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.44 4.27 0.00 1.81 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 2.46 2.54 0.00 16 T 7.45 4.60 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 17 S 8.18 4.36 0.00 3.96 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 18 P 0.00 3.52 0.00 1.68 0.49 0.00 3.40 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 1.82 1.59 0.00 19 G 7.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.93 0.00 2.08 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 2.27 2.32 0.00 21 L 7.98 3.92 0.00 1.73 1.69 0.95 0.65 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 22 L 8.10 4.00 0.00 1.88 1.72 0.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.25 3.96 0.00 2.18 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 2.32 2.57 0.00 24 Q 8.27 3.98 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 25 A 8.31 4.02 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 26 N 8.57 4.30 0.00 3.01 2.90 0.00 0.00 6.96 7.87 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 27 A 8.38 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.99 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.25 4.27 0.00 1.96 1.89 0.86 0.94 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 30 F 8.88 4.36 0.00 3.27 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 31 A 8.32 4.03 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 32 S 7.71 4.15 0.00 3.96 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 33 G 7.48 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.30 4.05 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.60 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 35 F 7.35 5.40 0.00 3.15 2.92 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 36 G 9.05 4.19 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 0.00 37 E 9.20 3.55 0.00 1.41 1.80 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 1.81 1.72 0.00 38 A 7.90 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.04 4.64 0.00 3.03 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.20 4.25 1.88 0.00 0.00 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 1.12 0.70 0.89 0.00 0.00 41 K 8.59 4.64 0.00 1.50 1.74 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.38 7.81 42 S 8.71 5.96 0.00 3.85 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 43 R 8.36 4.84 0.00 1.87 2.05 0.00 3.11 0.00 0.00 3.56 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 F 8.87 5.26 0.00 3.01 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 45 V 8.24 4.41 1.92 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 0.86 0.00 0.00 0.91 0.00 0.00 46 T 8.48 4.72 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 1.29 0.00 0.00 47 L 8.77 4.33 0.00 1.38 1.65 0.86 0.69 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 48 E 9.11 4.17 0.00 1.99 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 2.32 2.27 0.00 49 A 8.00 4.54 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 50 Y 7.36 5.03 0.00 3.15 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 51 R 8.52 4.68 0.00 1.80 1.84 0.00 3.29 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 52 Q 8.59 4.47 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 53 G 8.78 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 54 T 8.36 4.45 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 55 A 7.95 4.06 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 56 A 8.19 4.50 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 57 V 7.11 4.62 2.11 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 1.08 0.00 0.00 0.95 0.00 0.00 58 E 9.02 4.37 0.00 2.13 1.84 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 2.44 2.38 0.00 59 R 8.67 5.13 0.00 1.80 2.00 0.00 3.27 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 60 A 8.63 4.94 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 61 Y 8.02 5.06 0.00 3.15 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 62 L 9.02 5.23 0.00 1.77 1.54 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.52 5.54 0.00 3.31 3.15 0.00 5.77 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 64 A 8.74 5.17 1.16 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 0.00 0.00 0.00 65 C 8.88 4.96 0.00 2.97 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 66 L 8.88 5.18 0.00 1.78 1.52 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.70 5.35 0.00 3.79 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 68 I 8.37 4.62 1.95 0.00 0.00 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 1.39 0.75 0.95 0.00 0.00 69 L 8.32 4.35 0.00 1.49 1.55 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.06 4.83 0.00 2.81 2.79 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 71 G 8.82 3.64 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 0.00 0.00 0.00 72 R 7.69 4.23 0.00 1.82 1.86 0.00 3.35 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 73 D 8.28 4.65 0.00 2.93 2.79 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 74 A 8.48 3.96 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 75 A 7.94 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.30 3.78 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 1.18 0.00 0.00 77 R 7.85 3.95 0.00 1.90 1.99 0.00 3.13 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 78 Q 8.21 3.92 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.24 4.00 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 80 L 8.10 4.10 0.00 1.93 1.83 1.11 0.96 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 81 G 8.13 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 82 E 8.41 3.95 0.00 2.10 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 2.31 2.37 0.00 83 S 8.25 4.13 0.00 3.96 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 84 L 7.90 4.03 0.00 1.95 1.71 0.93 0.60 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 85 C 8.33 4.09 0.00 3.12 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 86 E 8.29 3.90 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 2.32 2.38 0.00 87 V 7.29 3.58 2.25 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 0.96 0.00 0.00 1.02 0.00 0.00 88 L 8.24 4.15 0.00 2.00 1.73 0.98 1.22 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 89 A 8.45 4.14 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 90 G 8.26 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 91 A 7.84 4.36 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.11 3.94 2.21 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 0.78 0.00 0.00 0.97 0.00 0.00 93 A 9.03 4.34 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 94 G 7.47 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 95 G 9.13 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 96 G 8.30 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 0.00 0.00 0.00 0.00 97 E 8.79 4.61 0.00 2.10 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 0.00 2.52 2.23 0.00 98 E 7.61 4.81 0.00 2.06 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 0.00 2.20 2.33 0.00 99 G 8.62 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 0.00 0.00 0.00 100 V 7.99 4.53 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 0.88 0.00 0.00 0.95 0.00 0.00 101 Q 8.79 4.28 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.46 5.17 2.11 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 0.87 0.00 0.00 0.97 0.00 0.00 103 S 9.10 4.84 0.00 3.94 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 0.00 104 V 8.20 4.73 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 0.79 0.00 0.00 0.93 0.00 0.00 105 E 9.16 4.58 0.00 2.14 1.81 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 2.25 2.26 0.00 106 V 8.38 4.86 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 0.91 0.00 0.00 0.95 0.00 0.00 107 R 9.27 4.78 0.00 1.83 2.18 0.00 2.77 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 108 E 8.14 5.67 0.00 2.00 1.88 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 2.27 2.20 0.00 *110 E 8.71 4.56 0.00 2.04 1.92 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 2.38 2.28 0.00 111 R 8.97 3.96 0.00 2.02 2.17 0.00 3.01 0.00 0.00 3.56 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 112 A 8.15 4.06 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 0.00 113 S 7.57 4.62 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 0.00 114 Y 7.89 4.23 0.00 3.07 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 0.00 115 A 8.00 4.73 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 0.00 116 K 8.05 4.65 0.00 1.87 1.48 0.00 0.69 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.16 1.21 7.81 117 R 8.40 4.82 0.00 1.80 1.84 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 118 V 8.13 4.02 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 0.62 0.00 0.00 0.02 0.00 0.00 119 V 8.20 3.90 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 0.82 0.00 0.00 0.91 0.00 0.00 120 A 8.26 4.12 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 0.00 121 R 8.30 4.08 0.00 1.73 1.78 0.00 3.30 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.