NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3082 8.3031 122.0188 56.2601 33.1221 175.2261 3 G 3.7498 8.5847 116.4303 44.3981 0.0000 170.1877 4 D 4.6043 8.5769 119.3306 53.6199 42.5553 175.7137 5 K 3.9660 8.7243 125.5227 59.5290 32.2251 179.3892 6 K 3.9876 8.3208 118.9514 58.9726 31.9536 179.6157 7 V 3.5216 7.7899 118.2570 66.0437 31.4994 177.9153 8 I 3.7325 7.7983 119.5820 64.3891 36.8110 178.1964 9 Q 3.9079 8.0948 120.3264 59.4237 28.8394 177.9657 10 H 4.1051 8.3771 117.3991 58.9842 28.7035 177.5890 11 L 4.0200 8.4444 120.9832 58.1442 41.3784 179.5202 12 N 4.3396 8.5349 116.5931 55.8755 38.4343 177.3697 13 K 3.8861 8.2573 121.4189 59.6750 32.3318 178.8350 14 I 3.7094 8.1153 120.4050 64.2792 37.0191 178.1324 15 L 4.0280 8.3450 121.5770 58.1019 41.6263 178.9432 16 G 3.8206 8.3957 106.0531 48.3106 0.0000 175.2841 17 N 4.3807 8.1547 118.7084 55.9861 38.5275 177.4197 18 E 3.9772 8.1656 120.0954 59.3825 29.0490 179.3504 19 L 4.0341 7.9711 119.0297 57.6976 41.5297 179.7543 20 I 3.6322 7.4621 119.2434 64.3138 37.0286 178.3224 21 A 3.2943 7.6693 121.3965 54.7777 18.0948 179.4897 22 I 3.5669 7.9179 118.6830 64.8960 37.2677 178.4574 23 N 4.3941 7.7097 116.2851 56.1458 38.3694 177.4492 24 Q 3.8867 8.2127 121.3937 59.4584 29.1771 177.9249 25 Y 4.7288 8.1073 119.5586 60.3108 37.8791 177.8976 26 F 3.8489 8.5281 121.8281 61.1686 39.5551 176.9776 27 L 3.9746 8.1863 119.9063 58.5299 41.8310 178.6112 28 H 3.8599 8.2404 116.1725 58.6312 28.4899 177.5129 29 S 4.3607 8.5605 115.3706 61.8869 62.1861 176.7211 30 R 3.8234 7.9751 120.2630 58.9848 29.6708 179.1403 31 M 3.4806 7.7432 118.9251 57.8870 31.8933 178.5789 32 W 4.5253 7.9484 119.3738 60.1247 29.4175 178.3540 33 N 4.4316 8.5251 116.5199 56.3390 37.6962 176.9998 34 D 4.3733 7.8745 118.8656 56.7515 41.3459 177.3672 35 W 4.9505 7.8719 116.9093 56.2944 29.1567 176.8609 36 G 4.0020 7.8181 106.3093 46.3843 0.0000 175.4237 37 L 4.6128 7.8504 122.3511 53.2972 40.3430 177.3824 38 K 4.1083 8.6971 122.5189 58.8925 32.3936 178.7356 39 R 3.9833 7.9210 119.1837 59.0612 29.9389 178.4876 40 L 3.8172 7.7207 118.6656 57.3713 41.4904 179.4496 41 G 3.7472 8.0459 105.4545 47.8282 0.0000 175.6498 42 A 4.0084 8.3829 124.0358 55.0991 18.4423 179.2466 43 H 4.0391 8.2963 116.8531 59.3335 30.0506 177.1116 44 E 4.0043 8.7429 121.6910 59.3216 29.4618 178.0604 45 Y 4.1390 8.3000 119.7703 61.2075 38.8444 178.0293 46 H 4.0159 8.3164 116.9090 58.5262 28.8437 177.6668 47 E 3.8744 8.0937 120.7834 59.2413 29.1759 179.1870 48 S 4.2550 8.2281 113.1099 61.6772 62.5310 176.2151 49 I 3.5837 7.6035 122.4137 64.4908 36.7681 178.1176 50 D 4.2972 8.1953 119.6434 57.4671 40.5983 178.7719 51 E 4.0681 8.1369 118.6554 59.5721 29.4606 179.0938 52 M 4.0042 8.2275 118.9251 58.5347 31.9989 179.0224 53 K 4.0520 8.0615 118.4863 59.4079 32.2375 179.0047 54 H 4.2171 8.2296 116.4485 58.9050 28.5956 177.4565 55 A 3.9900 8.1750 122.3838 55.3103 18.3507 178.9767 56 D 4.2853 8.0711 116.4296 57.7104 41.2368 178.8281 57 K 4.0571 8.1663 118.7980 59.3045 31.9485 179.4225 58 L 4.0136 8.0002 119.3792 57.9245 41.6295 179.5947 59 I 3.7233 8.1382 120.0809 64.3607 36.9844 178.4350 60 E 4.0199 8.1213 119.1165 59.2854 29.2604 179.2944 61 R 4.0405 8.0517 118.8375 59.4485 30.0793 178.6326 62 I 3.7141 8.0288 119.7773 64.4314 37.1343 178.4571 63 L 3.9901 7.9130 119.6929 57.7815 41.2235 179.3946 64 F 4.3040 8.1705 119.6942 61.0234 39.5699 176.4155 65 L 3.8632 8.1186 116.5862 54.6650 41.2027 177.5412 66 E 3.9185 7.9688 117.7871 56.8991 27.0784 174.7985 67 G 3.8800 7.9807 108.7168 44.4892 0.0000 173.6196 68 L 4.5681 7.9889 118.9256 51.9506 42.6748 175.2451 69 P 4.3527 0.0000 0.0000 62.5030 31.7211 175.9454 70 N 4.6476 9.0412 122.7984 52.4549 38.0977 173.9514 71 L 4.5332 8.2083 123.6152 54.4547 42.2839 177.5461 72 Q 4.0644 8.4999 121.7943 57.6277 29.3496 175.3900 73 D 4.5931 8.1213 117.7893 52.6230 41.3061 175.4394 74 L 4.4728 8.2800 127.1901 52.7697 42.9821 176.6199 75 G 3.7595 8.2769 116.8183 44.8783 0.0000 171.1735 76 K 4.1088 8.3948 121.6558 55.5090 32.0192 177.2895 77 L 4.0456 8.3963 127.3741 54.7679 42.0421 177.4621 78 L 4.4230 8.5611 124.5132 53.4214 40.6684 174.9988 79 I 4.3223 8.0291 123.8249 59.6480 38.3183 176.5387 80 G 4.0233 8.6200 114.3395 44.8152 0.0000 172.9626 81 E 4.6912 9.6310 117.9515 56.0360 30.9073 176.2886 82 N 5.1048 7.6502 116.0762 50.3830 41.9956 174.8454 83 T 4.3319 8.6243 114.5245 65.4835 67.5156 175.8737 84 Q 3.9891 8.1915 121.2622 59.1663 29.1390 177.7275 85 E 4.0413 8.8237 119.8395 59.5853 29.4324 179.2326 86 M 3.9001 8.2797 118.8720 58.3893 31.9765 178.8471 87 L 4.1669 8.1538 119.1968 57.8009 41.7364 179.3506 88 Q 4.0146 8.0782 119.1786 59.2206 28.9807 177.9633 89 C 4.2231 8.5486 118.3025 62.8294 28.1578 175.6857 90 D 4.6401 8.2619 120.5202 57.4706 40.5166 178.7084 91 L 4.0202 8.1214 120.6707 58.3006 42.1295 178.6829 92 N 4.3776 8.6329 116.8947 56.2518 38.4779 177.1391 93 L 4.0347 8.1334 121.7457 58.2516 42.2294 178.9301 94 E 4.1239 8.5498 118.6441 59.4578 29.2813 179.3623 95 L 4.0741 8.0194 119.0336 57.5475 41.7698 179.4763 96 K 3.9951 8.0789 119.1629 59.3193 32.0480 178.7967 97 A 4.2329 8.1156 121.1986 55.4662 18.1811 179.8250 98 T 3.8437 8.1153 114.3542 66.4095 68.6000 176.8138 99 K 3.8917 7.8488 121.4414 59.8759 32.2583 178.6029 100 D 4.4213 8.0234 118.5708 57.2215 40.6746 178.7609 101 L 4.0105 8.1877 119.8758 57.9592 41.6572 179.8289 102 R 3.9647 8.3375 118.2783 59.2644 29.9816 179.0317 103 E 3.9753 8.2482 118.1252 59.2845 29.4389 179.1719 104 A 3.5599 8.1283 120.8465 55.0680 18.3514 179.8081 105 I 3.6966 7.7017 118.5056 64.2526 37.1696 178.7440 106 V 3.5660 7.7312 119.2184 66.2922 31.4115 177.5737 107 H 4.0287 8.1723 117.9166 59.3679 29.6525 177.0131 108 C 4.0738 8.2237 118.5732 62.6924 27.9959 175.4820 109 E 3.9010 8.2241 120.8862 59.4887 28.9751 178.5174 110 Q 3.9453 7.8250 117.9270 58.9348 29.1122 178.0094 111 V 3.9562 7.1473 109.2665 60.6382 31.8270 175.7352 112 H 2.9235 7.4104 114.2867 56.9524 26.6965 176.2086 113 D 4.4919 7.2682 121.2282 53.6570 38.7897 175.6080 114 Y 4.3913 7.6072 121.5324 59.7346 38.5034 177.2884 115 V 3.6620 7.8157 119.4098 65.9851 31.7054 177.9170 116 S 4.1390 8.4861 114.9422 61.5829 62.6309 176.3765 117 R 3.8908 7.8768 121.1871 59.7254 29.8402 177.8922 118 D 4.3209 8.1629 117.4530 57.2391 41.2275 177.8089 119 L 3.9600 7.9914 120.7727 58.3572 42.0607 179.0392 120 L 4.0226 8.2745 119.1182 57.7357 41.5211 179.6974 121 K 4.0210 8.5154 118.9459 59.4257 31.8965 179.2116 122 D 4.3763 8.0313 118.9069 57.2518 40.7066 178.7727 123 I 3.5057 7.7175 120.4509 64.1581 36.9859 178.2516 124 L 3.9362 7.9943 121.2496 58.1032 41.9717 178.5177 125 E 3.9190 8.2920 119.3253 59.4472 29.5030 178.8341 126 S 4.2820 7.8556 112.7730 61.3421 62.3656 176.0001 127 E 3.9936 8.5455 121.8794 59.2740 29.1139 179.0800 128 E 3.9980 8.6189 119.1937 59.3422 29.3945 179.2395 129 E 4.0125 8.2122 118.7199 59.6788 29.5352 178.9584 130 H 4.3494 8.2433 116.2777 59.0579 28.7178 177.9205 131 I 3.7711 8.1677 121.7273 64.3406 37.0862 177.7642 132 D 4.3571 8.3399 119.0460 57.7636 41.0539 177.8517 133 Y 4.1379 8.3322 119.9022 60.6226 38.7865 178.0822 134 L 3.5980 7.9571 119.8760 57.7818 41.7372 179.2499 135 E 3.9294 8.4358 118.8731 59.6884 29.3158 179.6539 136 T 3.8059 7.7081 115.4495 66.6256 68.5065 176.8170 137 Q 3.7790 7.7159 119.9333 58.7482 28.5248 178.7938 138 L 3.8713 7.6773 120.0943 57.7228 41.6735 179.8147 139 G 3.5745 8.2303 105.8721 47.7752 0.0000 175.7613 140 L 4.0460 7.8677 121.2557 57.5230 41.6459 179.4336 141 I 3.6236 7.4651 119.8288 64.5246 36.7492 178.4970 142 Q 3.9738 7.5153 117.9231 58.8402 28.6003 178.5299 143 K 4.1706 7.9829 118.5293 58.4321 32.3631 178.8380 144 V 4.1988 8.3860 110.5103 59.7842 33.1866 176.7167 145 G 4.1095 7.6524 106.1665 45.8328 0.0000 174.3379 146 L 3.9924 8.5141 122.8589 58.1717 42.0734 179.4676 147 E 4.0008 8.1335 117.9533 59.4386 29.4584 178.9040 148 N 4.3250 8.1286 116.1017 56.4128 38.4612 176.6196 149 Y 4.0058 7.8347 119.7993 60.7696 39.1419 177.8999 150 L 4.1087 8.2737 119.9946 57.5867 41.5755 179.0908 151 Q 3.8949 8.2294 119.6837 59.4468 28.8343 178.6618 152 S 4.1720 7.9767 113.7999 60.4104 63.0197 174.6430 153 H 4.6777 7.7473 118.8882 55.7466 29.4281 176.2985 154 M 4.0920 7.8795 121.6838 58.1403 32.0798 176.0325 155 H 5.2284 7.6182 113.8313 53.6560 30.9838 174.5734 156 E 4.1316 8.7394 121.8543 56.7743 29.2708 176.8144 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 K 8.30 4.31 0.00 1.69 1.76 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.46 7.81 3 G 8.58 3.75 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 0.00 0.00 0.00 4 D 8.58 4.60 0.00 2.79 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 5 K 8.72 3.97 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 6 K 8.32 3.99 0.00 1.82 1.60 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 7 V 7.79 3.52 2.18 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 0.91 0.00 0.00 0.89 0.00 0.00 8 I 7.80 3.73 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.89 0.00 0.00 9 Q 8.09 3.91 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 10 H 8.38 4.11 0.00 3.35 3.30 0.00 5.69 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 11 L 8.44 4.02 0.00 1.79 1.74 0.94 0.71 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 12 N 8.53 4.34 0.00 2.92 2.85 0.00 0.00 6.65 8.07 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 13 K 8.26 3.89 0.00 1.93 1.93 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 I 8.12 3.71 1.99 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 1.70 0.67 0.92 0.00 0.00 15 L 8.35 4.03 0.00 1.80 1.90 0.92 1.19 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 16 G 8.40 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 0.00 0.00 0.00 17 N 8.15 4.38 0.00 3.00 2.89 0.00 0.00 7.07 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 18 E 8.17 3.98 0.00 2.13 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 2.57 2.53 0.00 19 L 7.97 4.03 0.00 1.79 1.68 0.90 0.70 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 20 I 7.46 3.63 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.85 0.00 0.00 21 A 7.67 3.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.57 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.87 0.00 0.00 23 N 7.71 4.39 0.00 2.77 2.83 0.00 0.00 6.74 7.59 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 24 Q 8.21 3.89 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 25 Y 8.11 4.73 0.00 3.07 2.95 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 26 F 8.53 3.85 0.00 3.38 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 27 L 8.19 3.97 0.00 1.85 1.69 0.89 0.85 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 28 H 8.24 3.86 0.00 3.34 2.81 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.56 4.36 0.00 3.99 4.01 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 30 R 7.98 3.82 0.00 1.85 1.87 0.00 2.95 0.00 0.00 2.60 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 31 M 7.74 3.48 0.00 0.88 1.58 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 32 W 7.95 4.53 0.00 3.74 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 33 N 8.53 4.43 0.00 2.86 2.85 0.00 0.00 6.69 8.78 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 34 D 7.87 4.37 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.87 4.95 0.00 3.76 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 36 G 7.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.61 0.00 2.13 1.64 1.30 0.62 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 38 K 8.70 4.11 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.59 7.81 39 R 7.92 3.98 0.00 1.91 1.93 0.00 3.23 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 40 L 7.72 3.82 0.00 1.32 0.17 0.50 0.06 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 41 G 8.05 3.75 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 0.00 0.00 0.00 42 A 8.38 4.01 1.40 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 43 H 8.30 4.04 0.00 3.32 3.21 0.00 5.59 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 44 E 8.74 4.00 0.00 2.53 2.33 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 2.77 2.61 0.00 45 Y 8.30 4.14 0.00 2.99 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 46 H 8.32 4.02 0.00 3.33 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.09 3.87 0.00 2.07 1.82 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 2.43 2.24 0.00 48 S 8.23 4.26 0.00 4.18 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 49 I 7.60 3.58 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.15 0.84 0.00 0.00 50 D 8.20 4.30 0.00 2.97 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 51 E 8.14 4.07 0.00 2.11 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 0.00 2.77 2.54 0.00 52 M 8.23 4.00 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 53 K 8.06 4.05 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.51 7.81 54 H 8.23 4.22 0.00 3.51 3.44 0.00 5.65 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 55 A 8.17 3.99 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 56 D 8.07 4.29 0.00 2.91 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 57 K 8.17 4.06 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.70 7.81 58 L 8.00 4.01 0.00 1.89 1.73 0.94 0.58 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 59 I 8.14 3.72 2.02 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 1.52 1.15 0.92 0.00 0.00 60 E 8.12 4.02 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 2.34 2.45 0.00 61 R 8.05 4.04 0.00 2.07 2.13 0.00 3.31 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 I 8.03 3.71 1.89 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 0.72 0.91 0.00 0.00 63 L 7.91 3.99 0.00 2.09 1.77 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.17 4.30 0.00 2.96 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 65 L 8.12 3.86 0.00 1.67 1.65 0.93 0.92 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 66 E 7.97 3.92 0.00 2.06 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 0.00 2.21 2.27 0.00 67 G 7.98 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 0.00 0.00 0.00 68 L 7.99 4.57 0.00 1.61 1.60 0.91 1.00 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 69 P 0.00 4.35 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 70 N 9.04 4.65 0.00 2.65 2.74 0.00 0.00 7.16 8.36 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 71 L 8.21 4.53 0.00 1.63 1.64 0.91 0.95 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 72 Q 8.50 4.06 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.12 4.59 0.00 2.68 2.59 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 74 L 8.28 4.47 0.00 1.53 1.54 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.28 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 0.00 0.00 0.00 76 K 8.39 4.11 0.00 1.71 1.75 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.40 4.05 0.00 1.64 1.57 0.97 1.00 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 78 L 8.56 4.42 0.00 1.71 1.68 1.02 0.68 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 79 I 8.03 4.32 1.88 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 0.78 0.92 0.00 0.00 80 G 8.62 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 81 E 9.63 4.69 0.00 1.94 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 2.29 2.37 0.00 82 N 7.65 5.10 0.00 2.87 2.80 0.00 0.00 5.87 7.22 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 83 T 8.62 4.33 5.40 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 1.56 0.00 0.00 84 Q 8.19 3.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 85 E 8.82 4.04 0.00 2.21 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 2.35 2.37 0.00 86 M 8.28 3.90 0.00 1.46 2.22 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.91 0.00 87 L 8.15 4.17 0.00 1.74 1.71 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.08 4.01 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 89 C 8.55 4.22 0.00 3.27 3.20 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 90 D 8.26 4.64 0.00 2.95 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 91 L 8.12 4.02 0.00 1.86 1.91 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.63 4.38 0.00 2.93 2.89 0.00 0.00 6.69 6.28 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 93 L 8.13 4.03 0.00 2.00 2.00 0.94 1.02 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 94 E 8.55 4.12 0.00 2.26 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 0.00 2.73 2.64 0.00 95 L 8.02 4.07 0.00 1.76 1.74 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.08 4.00 0.00 1.89 2.07 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.12 4.23 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 98 T 8.12 3.84 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 1.26 0.00 0.00 99 K 7.85 3.89 0.00 1.84 2.01 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 100 D 8.02 4.42 0.00 2.94 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 0.00 101 L 8.19 4.01 0.00 1.92 1.72 0.92 1.22 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 0.00 102 R 8.34 3.96 0.00 1.85 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 103 E 8.25 3.98 0.00 2.11 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 2.35 2.53 0.00 104 A 8.13 3.56 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 0.00 105 I 7.70 3.70 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 1.41 0.78 0.93 0.00 0.00 106 V 7.73 3.57 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 0.97 0.00 0.00 0.93 0.00 0.00 107 H 8.17 4.03 0.00 3.31 3.26 0.00 5.66 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 0.00 108 C 8.22 4.07 0.00 3.15 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 0.00 109 E 8.22 3.90 0.00 2.23 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 2.37 2.46 0.00 110 Q 7.82 3.95 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 111 V 7.15 3.96 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 0.80 0.00 0.00 0.96 0.00 0.00 112 H 7.41 2.92 0.00 3.17 3.17 0.00 5.64 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 0.00 113 D 7.27 4.49 0.00 2.64 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 0.00 114 Y 7.61 4.39 0.00 3.09 2.93 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 0.00 115 V 7.82 3.66 2.16 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.49 4.14 0.00 4.05 3.91 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 0.00 117 R 7.88 3.89 0.00 1.96 2.24 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 118 D 8.16 4.32 0.00 3.04 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 0.00 119 L 7.99 3.96 0.00 1.93 1.80 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.27 4.02 0.00 1.85 1.70 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.52 4.02 0.00 2.02 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.35 7.81 122 D 8.03 4.38 0.00 2.89 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 0.00 123 I 7.72 3.51 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.64 0.81 0.00 0.00 124 L 7.99 3.94 0.00 1.82 1.89 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.29 3.92 0.00 2.08 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 0.00 2.31 2.33 0.00 126 S 7.86 4.28 0.00 3.94 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 0.00 127 E 8.55 3.99 0.00 2.11 2.18 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 2.50 2.52 0.00 128 E 8.62 4.00 0.00 2.11 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 2.35 2.52 0.00 129 E 8.21 4.01 0.00 2.22 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 2.36 2.37 0.00 130 H 8.24 4.35 0.00 3.59 3.43 0.00 5.64 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 0.00 131 I 8.17 3.77 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.94 0.00 0.00 132 D 8.34 4.36 0.00 2.94 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 0.00 133 Y 8.33 4.14 0.00 3.14 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 0.00 134 L 7.96 3.60 0.00 2.11 1.66 1.00 0.97 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 0.00 135 E 8.44 3.93 0.00 2.04 1.97 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 2.31 2.43 0.00 136 T 7.71 3.81 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 1.20 0.00 0.00 137 Q 7.72 3.78 0.00 1.80 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.33 1.98 0.00 138 L 7.68 3.87 0.00 1.90 1.61 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.23 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 0.00 140 L 7.87 4.05 0.00 1.81 1.86 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.47 3.62 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.34 0.81 0.00 0.00 142 Q 7.52 3.97 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 143 K 7.98 4.17 0.00 1.74 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 144 V 8.39 4.20 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 0.79 0.00 0.00 1.14 0.00 0.00 145 G 7.65 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 0.00 146 L 8.51 3.99 0.00 1.76 1.69 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.13 4.00 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 2.40 2.40 0.00 148 N 8.13 4.33 0.00 3.09 2.89 0.00 0.00 6.76 7.48 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 0.00 149 Y 7.83 4.01 0.00 2.94 3.14 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 0.00 150 L 8.27 4.11 0.00 1.76 1.73 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.23 3.89 0.00 2.17 2.27 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 2.30 2.37 0.00 152 S 7.98 4.17 0.00 3.77 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 0.00 153 H 7.75 4.68 0.00 2.89 3.02 0.00 5.80 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 0.00 154 M 7.88 4.09 0.00 1.73 2.14 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 155 H 7.62 5.23 0.00 3.08 3.15 0.00 5.72 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 0.00 156 E 8.74 4.13 0.00 1.95 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 2.31 2.30 0.00