NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2136 8.2644 123.5836 51.4895 20.6827 176.4864 3 L 3.8066 7.9369 117.9396 54.4891 41.9580 173.4813 4 E 4.3744 8.3843 130.1166 53.0286 28.9719 172.2923 5 P 4.4472 0.0000 0.0000 61.6865 31.8342 176.9529 6 I 3.8103 8.3821 121.2366 60.8820 38.7297 174.9448 7 D 4.5116 8.6991 126.5373 52.9713 40.9522 175.1568 8 Y 4.9855 7.5106 122.7652 56.6743 38.6763 176.4931 9 T 4.4513 7.7298 112.1259 63.4493 70.4788 176.6446 10 T 3.8641 8.1798 118.4132 66.1755 68.8857 174.2587 11 H 5.0890 7.7924 117.9866 54.7093 30.0016 175.7669 12 S 4.1794 8.2084 116.1142 61.5890 62.1666 174.7514 13 R 3.9160 8.0289 120.6870 59.7222 29.7834 178.2645 14 E 4.0531 8.1870 117.7530 59.3168 29.4973 179.3357 15 I 3.9116 7.8632 119.7055 64.7087 37.2499 178.2109 16 D 4.6324 8.7179 119.9298 57.2530 40.6775 178.7637 17 A 4.0251 7.9307 121.0699 55.3720 18.4823 179.5462 18 E 3.9034 7.9974 117.1202 59.6859 29.5692 178.8691 19 Y 4.1266 8.5532 119.9643 60.9100 38.7469 178.4043 20 L 3.6451 8.4044 120.1611 57.3355 41.6682 179.3752 21 K 3.8970 7.7560 119.7062 58.8502 31.7987 179.3324 22 I 3.5639 7.2512 118.1759 64.6250 37.2058 178.8476 23 V 3.6338 7.2135 111.6078 63.9721 31.3561 178.2215 24 R 4.1931 8.1247 116.5984 55.5057 30.7396 176.3718 25 G 3.9286 7.5962 107.0581 46.5694 0.0000 174.1455 26 S 4.4017 7.7675 111.3719 58.0565 64.2657 173.3486 27 D 4.5366 7.5552 122.0516 52.4823 41.9270 173.3502 28 P 4.4078 0.0000 0.0000 65.3910 31.1660 177.2577 29 D 4.4033 7.9947 117.4291 55.7300 41.0392 176.3737 30 T 4.3543 7.9675 115.6553 61.7681 69.2802 173.2978 31 T 4.6815 9.0589 116.3005 60.8628 70.6699 173.6310 32 W 5.5861 7.3525 118.6019 55.3909 32.1705 173.3430 33 L 5.1327 9.4347 122.1118 53.9882 45.8495 174.4536 34 I 5.4787 9.1922 125.7883 59.6624 40.7498 174.2549 35 I 5.1451 9.4305 121.4886 59.5556 40.0831 174.7200 36 S 5.0745 9.2254 119.0559 55.7914 66.4348 170.9338 37 P 4.4189 0.0000 0.0000 62.3641 32.2489 176.0102 38 N 4.6705 8.8495 120.7479 51.2225 39.5009 175.1969 39 A 3.9260 8.6283 120.0733 55.5880 18.2045 178.3997 40 K 4.3843 8.1694 112.6447 56.1389 32.0422 176.7296 41 K 3.8772 8.0418 116.2515 57.4304 30.3122 174.6285 42 E 4.7856 8.6692 118.9606 54.9123 31.3360 175.3182 43 Y 4.8003 9.0413 123.4630 58.1381 38.8372 174.8229 44 E 4.9127 9.2506 120.2331 54.3148 33.9284 172.4728 45 P 4.6971 0.0000 0.0000 63.4201 31.1591 175.9305 46 E 4.4944 9.5079 126.8311 58.1998 30.7630 176.0631 47 S 4.8598 7.7970 111.5871 57.6292 66.3319 173.3146 48 T 4.2319 7.1359 109.8684 59.3933 72.2569 172.7858 49 G 3.4650 5.6296 106.6196 46.1116 0.0000 173.2653 50 S 4.8434 8.8788 111.0576 56.6435 64.9838 174.2260 51 S 4.7497 8.2858 116.3074 56.9001 63.3064 173.7987 52 F 4.2883 9.0938 131.8903 61.7361 38.9586 176.2442 53 H 3.9491 8.3442 116.5687 59.4669 29.9826 176.5544 54 D 4.4006 8.1188 120.4833 56.8988 40.6070 178.1278 55 F 2.3000 7.7490 121.4714 60.9040 38.9357 177.3225 56 L 3.5958 6.9381 116.0134 56.4349 41.3103 177.8939 57 Q 4.3040 7.2158 116.1368 55.5589 29.0618 175.9079 58 L 4.2546 7.0030 116.9898 54.3149 42.1304 176.8354 59 F 3.7700 7.0047 118.1317 56.7241 39.5511 174.2375 60 D 4.6486 9.7592 125.7510 52.9790 41.5472 176.7880 61 E 4.5457 9.1042 127.3676 58.1713 30.0224 176.7397 62 T 4.6131 9.0945 107.7119 61.8083 69.4631 173.6353 63 K 4.8019 7.9627 120.1435 54.6981 36.1337 175.9420 64 V 4.0036 8.4132 122.6646 63.1298 32.2374 174.9889 65 Q 5.1471 9.4914 125.9941 54.5885 34.0443 173.4464 66 Y 5.4494 9.1353 116.3809 56.5490 42.1464 175.1940 67 G 5.1825 9.8491 110.6447 44.6172 0.0000 171.5266 68 L 5.4981 9.5276 123.5258 53.0750 45.6385 175.0675 69 A 4.9879 9.0566 126.9978 50.2732 22.9207 174.5080 70 R 4.8939 9.1461 123.5551 55.0531 31.0581 175.9889 71 V 4.4824 8.9137 125.6676 59.9214 35.5017 174.1244 72 S 5.1828 8.2014 116.1091 54.8869 64.0831 171.9639 73 P 4.3166 0.0000 0.0000 62.2100 31.8522 175.4969 74 P 4.1381 0.0000 0.0000 65.3346 31.8759 177.0397 75 G 4.2502 7.3401 104.7742 43.3811 0.0000 171.1648 76 S 4.5213 7.4936 110.5353 57.8062 65.8607 174.3590 77 D 4.7085 8.4143 118.6224 53.9960 41.9601 176.2289 78 V 3.9709 7.4049 118.8753 63.3406 33.0879 174.1682 79 E 4.9266 8.6523 125.5445 54.5653 31.9237 175.4506 80 K 4.5808 9.1091 123.5740 54.6321 36.2057 174.8941 81 I 4.9168 8.6775 122.1579 59.8525 39.4415 174.4741 82 I 5.1062 8.9815 127.7835 59.1863 40.8385 173.8009 83 I 5.2139 9.1692 129.0208 59.3383 41.0427 173.9188 84 I 5.0685 9.5135 129.9122 59.5875 40.4861 174.7388 85 G 3.1235 9.1119 115.3604 44.2864 0.0000 172.5129 86 W 4.7557 8.8495 135.0000 55.8029 31.9435 174.4572 87 C 4.4716 7.9313 129.3603 56.3124 31.6694 171.1340 88 P 4.2118 0.0000 0.0000 60.5930 32.2838 177.7474 89 D 4.2188 8.4209 120.1885 57.9394 40.7257 178.1566 90 S 4.2828 7.7987 111.0287 59.0823 63.1049 174.1950 91 A 4.7441 7.4660 123.3986 50.0724 19.1378 176.3684 92 P 4.2131 0.0000 0.0000 62.8773 32.7937 176.9281 93 L 3.8539 8.6810 124.3076 58.6602 41.8354 179.5030 94 K 3.9748 8.0969 117.6582 59.7824 31.8285 179.3162 95 T 4.0291 7.8580 108.4445 64.8485 69.0378 176.3743 96 R 4.0828 8.1096 120.7973 58.9127 29.9142 178.7177 97 A 4.1690 8.2320 119.6239 54.2294 18.6001 178.7281 98 S 4.6427 7.6939 111.9350 58.2881 63.3589 175.7106 99 F 4.2766 8.0163 124.8080 61.4393 39.1551 176.5891 100 A 3.7414 8.2628 119.4821 55.1613 18.0494 179.3294 101 A 3.8473 7.8678 118.3937 55.5796 18.1824 179.5517 102 N 4.2179 8.3397 115.0653 56.2125 38.4451 177.5773 103 F 4.2978 8.6968 122.4703 61.1112 39.4409 177.0594 104 A 3.6611 7.8676 120.2676 54.8798 18.1373 179.4153 105 A 3.8485 8.0402 119.3439 55.3894 18.5383 179.9556 106 V 2.7887 7.5670 116.5289 65.9143 31.1999 178.1247 107 A 3.9440 7.6698 119.5847 54.8501 18.2294 178.8001 108 N 4.5606 8.0043 113.7679 54.7599 39.0198 175.8934 109 N 4.7530 8.3784 115.6919 52.7734 40.4092 174.0578 110 L 3.8350 6.7345 117.6642 55.6703 44.1197 176.5301 111 F 4.7150 8.0516 121.0740 56.6047 38.3900 176.7105 112 K 4.2848 7.4671 119.8671 57.6952 33.0196 178.2132 113 G 4.0210 8.8591 110.1583 45.2458 0.0000 173.4396 114 Y 4.4213 7.5598 117.0269 57.1806 38.9906 174.7229 115 H 4.6998 9.5184 118.7114 56.3910 31.1168 175.3685 116 V 4.6281 8.0440 117.4744 60.9400 34.4276 174.1142 117 Q 5.1793 8.9888 128.2149 54.3388 31.3915 174.4318 118 V 4.6306 9.2537 126.3344 61.4662 34.8819 173.9891 119 T 5.1197 8.8135 123.8559 62.0635 70.0315 173.8017 120 A 4.5999 8.9967 128.2339 50.2093 22.1116 176.3150 121 R 3.8339 9.4190 120.0434 55.8428 32.2350 175.2014 122 D 4.7536 7.4435 114.9456 51.1854 42.8496 175.5101 123 E 4.0742 8.9603 117.7100 59.6624 29.5385 179.5533 124 D 4.3576 8.3292 118.1202 57.3579 40.9286 177.5700 125 D 4.4817 8.2073 117.7245 56.2761 41.0004 176.9006 126 L 4.4157 7.7774 118.5119 54.3818 41.8136 176.3296 127 D 4.2865 8.0177 119.2884 54.4919 41.7611 175.8618 128 E 3.9662 8.9124 127.7739 59.7689 29.5169 178.4058 129 N 4.3912 8.2734 115.8470 56.4024 38.8193 177.0942 130 E 4.0365 8.5559 118.9621 59.3928 29.6583 179.1170 131 L 4.1020 8.2456 120.0419 57.6766 41.6973 179.4557 132 L 4.0267 8.3933 118.9498 57.9864 41.4838 179.6567 133 M 4.0801 7.8521 118.6335 58.3959 31.4863 178.9109 134 K 4.0722 8.0260 118.1599 59.5219 31.9557 179.4957 135 I 3.5804 7.7511 119.4136 64.1650 37.0506 178.2480 136 S 4.3073 8.0377 115.6354 61.6484 62.7112 175.3560 137 N 4.2547 8.0947 118.4261 55.7675 38.3084 174.7921 138 A 4.2623 7.8131 127.9539 52.4359 19.0384 176.9915 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 2 A 8.26 4.21 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 3 L 7.94 3.81 0.00 1.71 1.63 0.95 0.61 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 4 E 8.38 4.37 0.00 2.01 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 2.32 2.27 0.00 5 P 0.00 4.45 0.00 2.15 2.04 0.00 3.41 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 6 I 8.38 3.81 1.86 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.88 0.00 0.00 7 D 8.70 4.51 0.00 2.74 2.61 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 0.00 0.00 0.00 0.00 8 Y 7.51 4.99 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.73 4.45 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 1.07 0.00 0.00 10 T 8.18 3.86 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 0.95 0.00 0.00 11 H 7.79 5.09 0.00 3.40 3.43 0.00 5.64 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.21 4.18 0.00 4.10 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 13 R 8.03 3.92 0.00 1.96 1.97 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 14 E 8.19 4.05 0.00 2.17 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 2.43 2.49 0.00 15 I 7.86 3.91 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.98 1.11 0.00 0.00 16 D 8.72 4.63 0.00 2.82 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 17 A 7.93 4.03 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 18 E 8.00 3.90 0.00 2.16 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 2.62 2.49 0.00 19 Y 8.55 4.13 0.00 3.21 3.35 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 20 L 8.40 3.65 0.00 1.81 1.63 0.96 0.73 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 21 K 7.76 3.90 0.00 1.98 1.80 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.51 7.81 22 I 7.25 3.56 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 0.88 0.00 0.00 23 V 7.21 3.63 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 0.41 0.00 0.00 0.52 0.00 0.00 24 R 8.12 4.19 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 25 G 7.60 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 0.00 0.00 0.00 26 S 7.77 4.40 0.00 3.97 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 27 D 7.56 4.54 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.41 0.00 2.19 2.17 0.00 3.78 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 1.96 1.99 0.00 29 D 7.99 4.40 0.00 2.96 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 30 T 7.97 4.35 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 1.09 0.00 0.00 31 T 9.06 4.68 4.42 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 1.19 0.00 0.00 32 W 7.35 5.59 0.00 2.58 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.43 5.13 0.00 1.71 1.50 1.11 1.36 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 34 I 9.19 5.48 1.98 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.80 0.00 0.00 35 I 9.43 5.15 2.30 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 1.83 1.36 1.29 0.00 0.00 36 S 9.23 5.07 0.00 3.90 3.66 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 0.00 0.00 0.00 0.00 37 P 0.00 4.42 0.00 1.91 1.27 0.00 3.62 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 38 N 8.85 4.67 0.00 2.92 3.16 0.00 0.00 6.68 7.33 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 39 A 8.63 3.93 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 40 K 8.17 4.38 0.00 2.05 1.85 0.00 2.09 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 41 K 8.04 3.88 0.00 1.92 1.95 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 42 E 8.67 4.79 0.00 2.09 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 2.43 2.41 0.00 43 Y 9.04 4.80 0.00 3.18 3.10 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 44 E 9.25 4.91 0.00 2.01 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 2.20 2.31 0.00 45 P 0.00 4.70 0.00 2.01 2.13 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 46 E 9.51 4.49 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 47 S 7.80 4.86 0.00 4.03 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 48 T 7.14 4.23 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 1.14 0.00 0.00 49 G 5.63 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.88 4.84 0.00 4.00 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 51 S 8.29 4.75 0.00 4.05 4.18 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 52 F 9.09 4.29 0.00 3.18 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 53 H 8.34 3.95 0.00 3.25 3.37 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.12 4.40 0.00 3.15 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 55 F 7.75 2.30 0.00 1.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 6.94 3.60 0.00 1.39 1.36 0.49 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.22 4.30 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 58 L 7.00 4.25 0.00 1.03 1.42 1.23 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.00 3.77 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.76 4.65 0.00 2.60 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 61 E 9.10 4.55 0.00 2.15 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 2.33 2.36 0.00 62 T 9.09 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 63 K 7.96 4.80 0.00 1.80 1.73 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 64 V 8.41 4.00 2.27 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 0.88 0.00 0.00 0.91 0.00 0.00 65 Q 9.49 5.15 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 66 Y 9.14 5.45 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.85 5.18 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 0.00 68 L 9.53 5.50 0.00 0.84 1.06 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.06 4.99 0.77 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 70 R 9.15 4.89 0.00 1.74 1.82 0.00 3.41 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 71 V 8.91 4.48 1.57 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 0.58 0.00 0.00 0.34 0.00 0.00 72 S 8.20 5.18 0.00 3.82 3.73 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 73 P 0.00 4.32 0.00 2.08 1.95 0.00 3.76 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 2.08 2.08 0.00 74 P 0.00 4.14 0.00 2.04 2.17 0.00 3.61 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 2.06 2.14 0.00 75 G 7.34 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 0.00 0.00 0.00 0.00 76 S 7.49 4.52 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.41 4.71 0.00 2.60 2.67 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 0.00 0.00 0.00 0.00 78 V 7.40 3.97 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 0.87 0.00 0.00 0.91 0.00 0.00 79 E 8.65 4.93 0.00 1.81 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 2.15 2.26 0.00 80 K 9.11 4.58 0.00 1.58 1.62 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.28 1.65 7.81 81 I 8.68 4.92 2.09 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 1.36 1.40 1.02 0.00 0.00 82 I 8.98 5.11 2.01 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.04 1.22 0.00 0.00 83 I 9.17 5.21 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.06 0.46 0.00 0.00 84 I 9.51 5.07 2.08 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 1.30 0.91 0.60 0.00 0.00 85 G 9.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.85 4.76 0.00 2.68 2.82 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 87 C 7.93 4.47 0.00 1.23 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.21 0.00 2.18 1.38 0.00 3.47 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.16 0.00 89 D 8.42 4.22 0.00 2.57 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.80 4.28 0.00 4.07 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 91 A 7.47 4.74 1.24 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 0.00 0.00 0.00 92 P 0.00 4.21 0.00 2.18 2.03 0.00 3.65 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 2.13 2.17 0.00 93 L 8.68 3.85 0.00 1.74 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.10 3.97 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.52 7.81 95 T 7.86 4.03 4.36 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 1.34 0.00 0.00 96 R 8.11 4.08 0.00 2.06 1.96 0.00 2.99 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 97 A 8.23 4.17 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 98 S 7.69 4.64 0.00 3.92 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 99 F 8.02 4.28 0.00 3.13 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 0.00 100 A 8.26 3.74 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 0.00 101 A 7.87 3.85 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 0.00 102 N 8.34 4.22 0.00 2.86 2.86 0.00 0.00 6.75 7.89 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 0.00 103 F 8.70 4.30 0.00 2.25 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.87 3.66 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 0.00 105 A 8.04 3.85 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 0.00 106 V 7.57 2.79 1.77 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 0.21 0.00 0.00 -0.11 0.00 0.00 107 A 7.67 3.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.00 4.56 0.00 2.70 2.85 0.00 0.00 6.86 7.37 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 0.00 109 N 8.38 4.75 0.00 2.53 2.81 0.00 0.00 6.83 7.84 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 0.00 110 L 6.73 3.83 0.00 0.54 0.57 0.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.05 4.71 0.00 2.97 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 0.00 112 K 7.47 4.28 0.00 1.85 1.80 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.41 7.81 113 G 8.86 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 0.00 114 Y 7.56 4.42 0.00 3.17 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 0.00 115 H 9.52 4.70 0.00 3.03 3.40 0.00 5.79 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 0.00 116 V 8.04 4.63 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 1.11 0.00 0.00 1.08 0.00 0.00 117 Q 8.99 5.18 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.45 0.00 0.00 0.00 0.00 0.00 2.32 1.93 0.00 118 V 9.25 4.63 2.22 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 0.83 0.00 0.00 1.07 0.00 0.00 119 T 8.81 5.12 4.38 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 1.32 0.00 0.00 120 A 9.00 4.60 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 0.00 121 R 9.42 3.83 0.00 1.47 1.79 0.00 2.93 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 0.00 122 D 7.44 4.75 0.00 2.84 2.57 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 0.00 123 E 8.96 4.07 0.00 2.07 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 2.42 2.46 0.00 124 D 8.33 4.36 0.00 2.84 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 0.00 125 D 8.21 4.48 0.00 2.78 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 0.00 126 L 7.78 4.42 0.00 1.70 1.49 0.37 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.02 4.29 0.00 2.78 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 0.00 128 E 8.91 3.97 0.00 2.02 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 2.54 2.62 0.00 129 N 8.27 4.39 0.00 2.98 2.89 0.00 0.00 6.80 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 0.00 130 E 8.56 4.04 0.00 2.25 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 0.00 2.54 2.42 0.00 131 L 8.25 4.10 0.00 2.12 2.05 1.01 0.55 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 0.00 132 L 8.39 4.03 0.00 1.93 1.76 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 133 M 7.85 4.08 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 134 K 8.03 4.07 0.00 2.05 1.93 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.73 7.81 135 I 7.75 3.58 1.92 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 1.54 0.67 0.82 0.00 0.00 136 S 8.04 4.31 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 0.00 137 N 8.09 4.25 0.00 2.95 2.83 0.00 0.00 6.93 6.66 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 0.00 138 A 7.81 4.26 1.23 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 0.00 0.00