NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2488 8.2549 117.2578 56.2252 30.7407 174.4605 3 H 4.7648 8.5738 117.6145 53.8804 32.6658 171.9506 4 L 4.0446 9.4781 122.9450 54.7671 41.3441 175.3534 5 K 4.1178 7.9233 116.0535 58.7766 32.1617 175.9072 6 S 4.9343 7.6159 113.3070 56.3190 65.4954 171.8972 7 G 4.0296 8.2340 107.5495 44.4898 0.0000 172.9210 8 R 4.2776 8.6613 116.6648 56.3566 26.5729 175.5763 9 K 4.1603 7.9797 120.2125 56.9153 33.4361 177.4119 10 L 4.2822 7.8816 117.4544 54.2460 45.4620 173.5710 11 N 5.0326 8.5002 120.9260 52.4477 42.9577 175.3155 12 R 4.1535 10.6400 117.6659 56.5351 27.9135 176.1284 13 H 4.6533 8.6193 117.3605 56.2866 31.1303 176.9486 14 S 3.0096 7.5948 110.6930 58.6267 66.0172 175.0076 15 S 4.0419 7.3005 113.6664 61.9673 63.3882 176.3292 16 H 4.1687 7.9133 120.2732 58.3372 29.5736 176.7377 17 R 3.7677 7.8919 120.8985 58.8994 30.0097 178.1502 18 L 3.3607 7.3731 119.5719 57.9566 42.0421 178.6152 19 A 4.1296 7.9509 119.0935 54.2566 18.4297 178.9928 20 L 4.0528 7.3369 119.4056 58.3294 42.4883 178.1992 21 Y 4.4773 7.9350 116.4491 61.4949 37.6952 178.9696 22 R 4.4544 8.2857 117.6290 58.0022 30.2058 177.3632 23 N 4.7969 8.4622 115.2607 53.7714 38.8082 175.9385 24 Q 4.5919 8.0259 118.2928 55.8222 29.9690 176.8994 25 A 4.1473 7.4324 121.2238 54.4523 19.0655 179.6146 26 K 3.9025 7.5674 115.7026 59.6408 32.5575 179.4515 27 S 4.3061 7.7017 114.0325 61.6068 62.8377 176.5021 28 L 4.0348 7.6188 122.4929 58.2202 41.6740 178.6151 29 L 4.2991 8.0364 114.4610 55.5845 41.3457 177.4979 30 T 4.7501 7.6276 115.4350 62.9793 69.7711 174.1621 31 H 4.6403 8.6688 116.0287 55.4754 35.1042 175.2549 32 G 4.3824 8.6696 114.8392 45.8145 0.0000 173.8909 33 R 5.2031 7.6384 116.2335 54.0683 33.9272 174.9577 34 I 4.7408 8.9839 122.7455 59.8088 41.8526 174.5619 35 T 5.0649 8.7863 120.7732 61.3391 70.8431 172.8415 36 T 4.6802 8.1007 119.9787 61.0044 72.3822 173.2607 37 T 4.6787 8.1752 110.1164 61.0907 70.3714 175.4735 38 V 3.5183 8.1047 122.4260 66.2055 31.3447 176.4120 39 P 4.2266 0.0000 0.0000 65.7743 31.2218 178.3167 40 K 3.8498 7.7525 116.0665 59.7751 32.0457 178.8610 41 A 3.9720 7.7842 120.1388 55.2616 18.1999 179.6971 42 K 3.8252 8.0728 115.9660 58.8349 31.6578 178.0578 43 E 4.2464 7.6459 118.6213 58.0160 30.3650 177.2557 44 L 4.0282 8.3224 120.8972 58.6070 42.1559 178.1075 45 R 3.7092 8.3917 112.1206 59.7675 28.5933 178.5864 46 G 4.0206 8.1420 104.2120 47.0912 0.0000 174.5944 47 F 4.6008 7.7130 123.3156 61.2639 39.3456 177.2685 48 V 3.3857 8.0485 117.5139 66.5927 31.3326 178.0894 49 D 4.4574 7.8869 118.3630 57.6109 40.6191 178.5603 50 H 4.1218 8.0324 118.4652 59.4145 29.7460 176.7915 51 L 3.8389 7.4907 118.8868 58.0138 41.6881 179.5490 52 I 3.4101 7.6910 119.6132 64.8637 36.5464 177.9984 53 H 3.8536 8.0076 118.8447 58.9520 29.3500 177.0313 54 L 3.7987 7.7283 121.6070 57.8455 42.1700 178.3912 55 A 3.5124 8.1381 121.1282 54.6108 17.9883 179.4061 56 K 3.7475 7.3237 116.3343 59.5634 32.5627 178.9298 57 R 4.2444 7.6778 113.6753 57.3016 29.4230 175.2365 58 G 3.3415 6.7370 111.4229 45.7050 0.0000 173.1848 59 D 5.0381 8.3388 123.8618 51.5904 42.6152 178.3402 60 L 3.8107 8.2080 121.1036 59.4249 42.3720 178.0241 61 H 3.9558 8.7851 116.8672 58.9242 29.2940 176.4113 62 A 4.0622 8.3965 124.8738 55.6649 18.9445 179.2351 63 R 3.8294 8.5787 117.0986 59.8018 30.0518 178.6281 64 R 3.8433 8.0511 117.3951 59.4197 30.0482 178.8145 65 L 3.9981 8.0695 118.4340 57.3843 42.1545 178.2445 66 V 4.0050 7.9942 117.9378 64.9134 31.8650 177.3281 67 L 4.0790 7.2264 118.9734 56.8604 41.4337 178.7379 68 R 4.0482 8.0034 116.6483 59.7125 29.8018 177.4811 69 D 4.4640 7.4870 115.9724 56.8408 41.1653 176.9142 70 L 4.1911 7.5233 122.6583 54.2303 41.5923 177.8955 71 Q 4.0285 8.5579 125.8294 58.1435 29.7136 175.9409 72 D 4.3835 7.9272 117.7711 53.8128 41.9058 176.3671 73 V 3.4725 8.3288 127.1148 65.9382 31.7206 177.4868 74 K 3.8249 8.1293 118.8210 59.5875 31.7895 178.1770 75 L 3.9551 8.3437 120.6897 57.9821 41.6802 179.3013 76 V 3.4707 7.6065 118.9629 64.7696 31.2670 178.5426 77 R 4.1647 7.6485 118.5499 58.7559 29.5430 178.7217 78 K 4.1931 8.1978 117.9743 57.9234 31.8365 177.5892 79 L 4.3521 7.1531 118.8106 57.8261 43.0710 177.8113 80 F 4.4688 9.2223 117.4306 60.3818 38.9913 176.9860 81 D 4.6903 8.7143 117.2931 56.0163 41.2622 175.6319 82 E 4.5239 8.2393 115.9551 56.5646 32.9686 177.0731 83 I 3.7314 7.4521 125.7322 63.8651 37.8997 176.9420 84 A 4.4839 7.8316 123.6512 53.4103 19.6685 177.5566 85 P 4.2375 0.0000 0.0000 65.3232 31.6822 178.7902 86 R 4.0549 7.4571 113.9162 57.2395 29.7849 176.3052 87 Y 4.4666 7.7832 114.0105 55.2501 40.2179 176.6524 88 R 3.7888 9.0676 125.5859 58.1892 31.0623 176.1245 89 D 4.7759 9.9874 113.0296 54.0372 43.2316 175.7495 90 R 4.1696 8.1094 119.2730 55.4474 30.1152 176.1415 91 Q 4.1621 8.5065 126.0028 55.7488 27.5663 175.8739 92 G 3.3952 7.8350 109.3273 44.5574 0.0000 170.8452 93 G 3.8282 7.9627 103.5124 46.8873 0.0000 173.4138 94 Y 4.6090 7.3605 108.5607 58.2303 38.4571 175.7538 95 T 5.0305 7.5307 112.7937 60.6928 71.2097 172.9294 96 R 4.6928 8.5594 125.0305 54.7610 34.0963 173.9575 97 V 5.4985 8.3557 124.5284 60.3254 34.2745 174.2853 98 L 4.9233 8.4222 127.9114 52.5711 44.9914 175.9478 99 K 4.4721 8.7833 123.6472 56.6128 33.6659 176.5585 100 L 4.7086 7.8484 123.0910 52.9959 44.0307 175.9913 101 A 4.2262 8.3564 123.5429 52.2912 19.4856 173.5699 102 E 3.9225 8.6205 125.1485 56.1586 29.3672 174.8068 103 R 4.6679 8.1207 120.8024 53.8534 33.0858 175.8107 104 R 4.0103 8.1857 118.0186 56.6862 30.6906 178.5028 105 R 4.6005 8.4728 125.3903 54.6829 28.9323 177.5135 106 G 4.1211 6.8364 100.3150 45.8108 0.0000 171.9213 107 D 4.6215 8.4273 125.8104 52.3479 40.7072 176.1886 108 G 3.6171 8.0832 107.5623 46.5519 0.0000 173.2476 109 A 4.7540 8.1145 121.8161 49.0485 21.3978 175.8734 110 P 4.6193 0.0000 0.0000 63.0420 32.3240 176.2696 111 L 5.1323 8.5265 123.3123 53.8275 44.3341 174.5208 112 A 4.7792 9.1614 121.1572 51.1678 23.3961 174.5602 113 L 4.9725 8.8064 119.1661 53.5150 45.8922 175.7000 114 V 5.5472 8.6168 123.8102 60.1592 34.6468 173.7744 115 E 5.2062 8.6675 127.4228 54.0701 33.2808 175.8177 116 L 4.3640 8.5557 122.5533 54.8821 41.7748 176.8553 117 V 3.3098 8.3195 122.3843 61.9432 31.9957 171.5539 118 E 4.7011 8.9694 121.7689 55.7869 30.0311 176.2167 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 R 8.25 4.25 0.00 1.90 1.98 0.00 2.93 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 3 H 8.57 4.76 0.00 3.21 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.48 4.04 0.00 1.77 2.01 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.92 4.12 0.00 1.77 1.87 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.50 7.81 6 S 7.62 4.93 0.00 3.98 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 7 G 8.23 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 0.00 0.00 0.00 8 R 8.66 4.28 0.00 1.85 2.37 0.00 3.27 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 9 K 7.98 4.16 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.69 1.50 7.81 10 L 7.88 4.28 0.00 1.59 1.54 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.50 5.03 0.00 2.64 2.68 0.00 0.00 7.28 7.65 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 12 R 10.64 4.15 0.00 1.96 1.88 0.00 3.07 0.00 0.00 2.95 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 13 H 8.62 4.65 0.00 3.27 3.36 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 14 S 7.59 3.01 0.00 3.93 3.96 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 15 S 7.30 4.04 0.00 4.13 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 16 H 7.91 4.17 0.00 2.82 3.13 0.00 5.92 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.89 3.77 0.00 1.76 1.84 0.00 2.97 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.51 0.00 18 L 7.37 3.36 0.00 1.48 1.63 0.86 1.75 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 19 A 7.95 4.13 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 20 L 7.34 4.05 0.00 1.77 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.94 4.48 0.00 3.08 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 22 R 8.29 4.45 0.00 1.96 2.07 0.00 3.19 0.00 0.00 3.58 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 23 N 8.46 4.80 0.00 2.91 2.88 0.00 0.00 6.70 8.49 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 24 Q 8.03 4.59 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 25 A 7.43 4.15 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 26 K 7.57 3.90 0.00 1.70 1.89 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.65 7.81 27 S 7.70 4.31 0.00 4.17 3.96 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 28 L 7.62 4.03 0.00 1.78 1.74 0.93 0.63 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 29 L 8.04 4.30 0.00 1.74 1.66 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.63 4.75 4.14 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 1.16 0.00 0.00 31 H 8.67 4.64 0.00 3.29 3.39 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.67 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 0.00 0.00 0.00 0.00 33 R 7.64 5.20 0.00 1.66 1.80 0.00 3.17 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 34 I 8.98 4.74 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.29 0.92 0.00 0.00 35 T 8.79 5.06 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 1.24 0.00 0.00 36 T 8.10 4.68 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 37 T 8.18 4.68 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 38 V 8.10 3.52 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 1.11 0.00 0.00 0.97 0.00 0.00 39 P 0.00 4.23 0.00 2.21 2.11 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 40 K 7.75 3.85 0.00 1.82 2.10 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 A 7.78 3.97 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 42 K 8.07 3.83 0.00 1.88 1.91 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.60 7.81 43 E 7.65 4.25 0.00 2.13 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 2.26 1.92 0.00 44 L 8.32 4.03 0.00 1.73 1.76 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.39 3.71 0.00 2.10 2.04 0.00 2.86 0.00 0.00 3.17 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 46 G 8.14 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 47 F 7.71 4.60 0.00 3.02 3.13 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 48 V 8.05 3.39 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 0.97 0.00 0.00 0.82 0.00 0.00 49 D 7.89 4.46 0.00 3.13 2.89 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 50 H 8.03 4.12 0.00 3.30 3.59 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.49 3.84 0.00 1.78 1.61 0.55 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.69 3.41 1.23 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 -0.31 0.00 0.00 53 H 8.01 3.85 0.00 3.12 3.34 0.00 5.58 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.73 3.80 0.00 1.79 1.72 0.79 0.99 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 55 A 8.14 3.51 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 56 K 7.32 3.75 0.00 1.88 1.79 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.32 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.34 7.81 57 R 7.68 4.24 0.00 1.79 2.11 0.00 2.82 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 58 G 6.74 3.34 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 0.00 59 D 8.34 5.04 0.00 2.90 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 60 L 8.21 3.81 0.00 1.83 1.74 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.79 3.96 0.00 3.25 3.33 0.00 5.77 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 62 A 8.40 4.06 1.48 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 0.00 0.00 63 R 8.58 3.83 0.00 2.26 2.18 0.00 3.13 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.00 64 R 8.05 3.84 0.00 2.01 1.93 0.00 3.18 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 65 L 8.07 4.00 0.00 1.48 1.83 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.99 4.00 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 0.92 0.00 0.00 1.04 0.00 0.00 67 L 7.23 4.08 0.00 1.78 1.70 0.83 1.20 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 68 R 8.00 4.05 0.00 1.82 2.05 0.00 3.22 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 69 D 7.49 4.46 0.00 2.64 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 70 L 7.52 4.19 0.00 1.63 1.56 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.56 4.03 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 72 D 7.93 4.38 0.00 2.76 2.51 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 73 V 8.33 3.47 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 0.92 0.00 0.00 0.89 0.00 0.00 74 K 8.13 3.82 0.00 1.88 2.13 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.55 7.81 75 L 8.34 3.96 0.00 2.06 1.73 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.61 3.47 1.87 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 0.62 0.00 0.00 0.29 0.00 0.00 77 R 7.65 4.16 0.00 2.01 2.14 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 78 K 8.20 4.19 0.00 1.83 1.92 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 79 L 7.15 4.35 0.00 1.83 1.88 1.19 0.73 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 80 F 9.22 4.47 0.00 2.89 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 81 D 8.71 4.69 0.00 2.73 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 82 E 8.24 4.52 0.00 2.19 1.76 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 2.28 2.30 0.00 83 I 7.45 3.73 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.77 1.04 0.00 0.00 84 A 7.83 4.48 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 85 P 0.00 4.24 0.00 2.16 2.12 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 86 R 7.46 4.05 0.00 1.30 1.55 0.00 3.05 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 87 Y 7.78 4.47 0.00 3.16 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 88 R 9.07 3.79 0.00 1.91 2.00 0.00 3.34 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 89 D 9.99 4.78 0.00 2.77 2.66 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 90 R 8.11 4.17 0.00 1.87 2.07 0.00 3.23 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 91 Q 8.51 4.16 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.25 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 G 7.83 3.40 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 93 G 7.96 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 94 Y 7.36 4.61 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.53 5.03 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 1.30 0.00 0.00 96 R 8.56 4.69 0.00 1.83 1.70 0.00 3.10 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 97 V 8.36 5.50 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 1.09 0.00 0.00 0.93 0.00 0.00 98 L 8.42 4.92 0.00 1.59 1.51 0.93 0.96 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 99 K 8.78 4.47 0.00 1.76 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 100 L 7.85 4.71 0.00 1.41 1.64 1.00 0.82 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 0.00 101 A 8.36 4.23 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 0.00 102 E 8.62 3.92 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 103 R 8.12 4.67 0.00 1.77 2.00 0.00 3.21 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 104 R 8.19 4.01 0.00 2.09 1.87 0.00 3.12 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 105 R 8.47 4.60 0.00 1.80 1.91 0.00 3.25 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 106 G 6.84 4.12 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 0.00 107 D 8.43 4.62 0.00 2.77 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 0.00 108 G 8.08 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 0.00 109 A 8.11 4.75 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 0.00 110 P 0.00 4.62 0.00 2.13 2.20 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 111 L 8.53 5.13 0.00 1.62 1.75 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 A 9.16 4.78 1.22 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 0.00 0.00 113 L 8.81 4.97 0.00 1.73 1.63 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.62 5.55 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 1.11 0.00 0.00 0.93 0.00 0.00 115 E 8.67 5.21 0.00 2.06 1.74 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 2.39 2.33 0.00 116 L 8.56 4.36 0.00 1.75 1.81 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.32 3.31 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 0.83 0.00 0.00 1.06 0.00 0.00 118 E 8.97 4.70 0.00 2.08 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 2.02 2.07 0.00