NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8217 8.2827 119.2264 52.9534 40.4900 174.9154 3 W 3.2399 8.5392 130.8092 59.5460 30.5367 176.5980 4 A 4.0747 9.2066 122.1008 55.7332 18.5035 179.4075 5 T 3.8913 7.9763 113.5575 66.6590 68.5738 176.5464 6 F 4.2085 8.4690 122.5774 60.8202 39.3495 176.8402 7 Q 4.2234 8.3437 119.6208 59.4360 28.4876 178.5069 8 Q 4.0492 7.5913 117.6456 58.2471 28.9597 177.5845 9 K 3.9677 7.2684 119.4917 60.0530 32.3272 177.5061 10 H 4.6232 7.4365 114.7859 55.9676 30.6238 175.5815 11 I 4.6475 7.3180 122.7267 60.1055 36.2056 177.1284 12 I 4.0726 7.1199 125.0997 60.1446 36.4634 178.8129 13 N 4.5477 7.5353 121.3554 52.7608 37.2688 171.3770 14 T 4.5043 7.6657 109.6884 58.6452 69.9885 172.9837 15 P 4.6165 0.0000 0.0000 63.3534 31.8184 175.9992 16 I 4.5483 7.5522 118.2396 60.8170 39.9626 175.0553 17 I 4.4021 8.0161 112.6538 61.3847 38.2797 176.1779 18 N 4.8571 7.7724 119.6374 52.2860 39.2633 175.7206 19 C 4.5368 8.4150 121.0179 58.4409 34.7405 175.1566 20 N 4.2202 7.8358 119.2433 56.0116 37.2794 177.2506 21 T 4.5794 7.7895 112.9590 63.6315 68.6839 175.9342 22 I 3.8327 7.1241 114.0319 63.2146 37.8347 176.5331 23 M 4.0157 7.0574 115.4830 54.5969 31.4035 176.2534 24 D 4.4932 7.7099 120.8253 55.1669 39.3472 174.7127 25 N 4.6200 7.8393 119.5043 52.7356 41.6025 174.8262 26 N 4.5191 8.8518 120.6301 55.5559 39.2553 175.4760 27 I 4.0739 7.6487 117.1046 62.2421 37.6353 175.6129 28 Y 4.9422 7.4999 117.0591 56.2092 38.3677 175.1945 29 I 4.6817 7.3872 118.5963 60.0746 41.9491 175.6485 30 V 4.5400 8.1950 123.3915 60.2963 34.1863 176.0580 31 G 3.9470 8.2383 106.7892 43.4164 0.0000 171.7505 32 G 4.2114 7.4137 113.1558 45.8202 0.0000 171.1357 33 Q 4.6945 7.4906 121.6509 55.3873 36.9800 173.3715 34 C 5.1126 7.6836 110.6478 53.4175 45.2522 173.6202 35 K 4.4427 8.4875 119.2607 56.3644 32.6017 177.9146 36 R 4.0859 8.4925 120.3325 58.7166 31.4867 176.3364 37 V 3.9342 7.5713 118.1506 61.9469 33.2756 174.3381 38 N 4.5909 8.7579 129.0226 52.2224 37.2185 173.1071 39 T 3.9260 7.5113 116.1436 63.0086 69.5726 174.3318 40 F 5.2260 8.2724 125.2789 55.9063 43.0308 174.8120 41 I 4.9286 8.1974 119.3129 59.6815 40.3857 175.0688 42 I 4.5117 8.0586 121.6618 59.4051 37.4069 174.9901 43 S 4.6172 8.0989 120.3499 57.4689 65.1977 176.2224 44 S 4.2551 8.2628 119.5301 58.0965 63.4510 175.1665 45 A 4.2823 8.9573 126.7294 55.5416 17.8032 179.4040 46 T 4.1157 7.9909 110.8816 65.2586 67.9540 176.2503 47 T 4.1868 8.1125 112.0178 64.9402 68.3363 176.8057 48 V 3.4632 8.0394 120.6684 65.3523 31.4141 177.7052 49 K 4.1285 8.0317 118.2442 58.9088 32.1615 178.3377 50 A 4.4411 8.2125 122.7335 54.2679 18.3235 179.4939 51 I 3.8735 7.8240 109.8576 63.1186 37.7468 177.6027 52 C 4.9005 7.4906 118.5918 55.5804 40.0043 172.7829 53 T 4.4687 7.3732 117.1755 62.0968 68.4017 174.1112 54 G 4.3117 8.3589 116.3993 45.8007 0.0000 173.2399 55 V 4.3223 7.0376 118.1777 60.4438 33.6675 174.1314 56 I 3.9880 8.1458 120.5710 60.5605 37.7635 175.2782 57 N 4.8024 7.1260 120.9200 53.8448 43.0379 172.7956 58 M 4.5931 7.8595 126.4302 55.3441 36.5930 172.3841 59 N 5.0905 8.5939 116.1906 52.0825 42.1823 174.2184 60 V 4.6975 8.5994 123.1462 60.8331 36.0010 174.1654 61 L 5.0444 8.2271 122.7288 53.8890 43.1759 175.7905 62 S 4.3318 8.9716 119.8462 59.1943 62.4624 175.1667 63 T 4.1448 8.6848 117.3692 64.5045 70.0225 176.6252 64 T 3.7837 8.3957 110.0836 61.9848 67.8512 174.6618 65 R 4.8835 8.2213 122.2082 55.7634 31.2621 175.4124 66 F 4.1768 8.9269 127.3593 62.2952 39.3220 179.1392 67 Q 3.2315 7.2841 115.4810 55.8118 25.6905 174.6274 68 L 4.8025 8.0612 127.5179 54.1829 43.7012 175.3937 69 N 4.8397 8.8915 119.7617 52.3417 40.5965 172.1540 70 T 4.5380 8.4358 122.0502 61.8658 71.1056 173.1306 71 C 4.9703 8.3185 124.5753 55.9194 37.4737 172.6553 72 T 4.7266 8.1596 121.6099 61.3518 70.3693 174.2514 73 R 3.1231 8.3107 126.8405 57.9487 29.9433 175.3037 74 T 3.9055 8.0761 118.4451 60.8654 69.1906 175.7232 75 S 4.3198 8.6705 114.0743 57.9300 65.9999 171.2912 76 I 3.1408 8.8539 129.3361 61.9339 37.2321 174.0548 77 T 3.3590 8.4395 118.7333 64.0233 65.2358 170.8296 78 P 4.5691 0.0000 0.0000 62.0532 32.6581 177.1360 79 R 4.7169 8.3827 125.0897 55.2453 30.7524 173.5771 80 P 4.5604 0.0000 0.0000 63.3983 32.4243 175.6398 81 C 4.7525 8.0160 117.3375 54.4890 35.8816 171.5223 82 P 4.8274 0.0000 0.0000 62.8870 32.5984 174.8470 83 Y 4.9825 8.5765 118.7691 56.2320 41.6985 174.8681 84 S 4.6954 8.6438 118.8317 56.8248 64.7896 173.3642 85 S 4.8755 8.6451 121.6280 58.0026 63.9786 174.1573 86 R 4.5972 8.7380 123.8963 55.4534 33.4517 173.6516 87 T 5.4642 8.4967 122.7620 61.6659 71.2809 173.7297 88 E 4.7926 8.0620 120.1583 56.2860 32.9332 174.5919 89 T 4.1065 8.8618 116.0232 64.7215 69.3808 174.3951 90 N 4.5895 8.9529 124.7397 51.9741 39.7026 171.2278 91 Y 5.2983 7.0338 121.7319 54.6102 39.0099 174.2983 92 I 4.6249 8.4235 125.4630 59.4629 42.7344 172.7656 93 C 5.2475 8.6647 125.8530 55.1090 40.0171 173.1186 94 V 4.9973 8.5798 126.2974 60.1357 34.3242 174.5300 95 K 4.8286 8.6514 122.1220 54.7819 35.4913 173.9142 96 C 5.2545 8.5602 122.7472 55.0641 37.8480 172.6270 97 E 4.9050 7.9835 123.8273 55.0340 32.8241 175.2932 98 N 4.0541 9.7127 120.4835 54.0577 36.4309 175.5359 99 Q 4.0321 8.1454 116.8467 55.9821 27.7586 173.0355 100 Y 4.5856 7.2239 116.0141 54.1663 39.5986 173.5649 101 P 4.6016 0.0000 0.0000 62.9719 29.3376 175.8850 102 V 2.5978 6.6389 124.8388 63.9911 32.2488 174.8664 103 H 4.9705 7.3140 114.4222 54.6812 31.9757 171.8936 104 F 5.2857 8.8321 122.8071 56.9082 39.7440 175.5350 105 A 4.0516 9.2791 128.7012 54.3329 18.6993 176.5553 106 G 3.5729 7.5800 102.0320 43.9385 0.0000 172.5888 107 I 3.7211 8.3275 116.7412 60.6079 38.1000 177.2730 108 G 3.6505 8.5645 107.8899 48.2594 0.0000 173.9316 109 R 3.8622 8.0887 122.2954 56.4786 29.9722 176.4885 110 C 5.1383 8.3930 119.0841 53.9326 44.2621 172.6154 111 P 4.4277 0.0000 0.0000 63.2413 31.1217 176.2352 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 N 8.28 4.82 0.00 2.81 2.85 0.00 0.00 6.82 7.15 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 3 W 8.54 3.24 0.00 3.21 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 4 A 9.21 4.07 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 5 T 7.98 3.89 4.32 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 1.22 0.00 0.00 6 F 8.47 4.21 0.00 3.24 3.16 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 7 Q 8.34 4.22 0.00 2.50 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 8 Q 7.59 4.05 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 9 K 7.27 3.97 0.00 1.60 0.76 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.48 7.81 10 H 7.44 4.62 0.00 2.96 3.32 0.00 5.84 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 11 I 7.32 4.65 2.08 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 1.45 1.01 1.04 0.00 0.00 12 I 7.12 4.07 1.40 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.46 0.14 0.00 0.00 13 N 7.54 4.55 0.00 2.81 2.71 0.00 0.00 6.58 7.23 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 14 T 7.67 4.50 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 1.05 0.00 0.00 15 P 0.00 4.62 0.00 2.20 2.17 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 16 I 7.55 4.55 1.84 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 1.45 0.51 0.96 0.00 0.00 17 I 8.02 4.40 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 1.42 0.59 0.92 0.00 0.00 18 N 7.77 4.86 0.00 2.72 2.72 0.00 0.00 7.02 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 19 C 8.41 4.54 0.00 2.75 3.21 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 20 N 7.84 4.22 0.00 2.93 2.94 0.00 0.00 5.97 7.21 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 21 T 7.79 4.58 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 1.18 0.00 0.00 22 I 7.12 3.83 1.56 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.35 0.82 0.00 0.00 23 M 7.06 4.02 0.00 1.71 1.79 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 24 D 7.71 4.49 0.00 2.89 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 25 N 7.84 4.62 0.00 2.78 2.80 0.00 0.00 6.76 6.73 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 26 N 8.85 4.52 0.00 2.71 2.82 0.00 0.00 7.03 7.94 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 27 I 7.65 4.07 1.66 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 1.22 0.69 0.54 0.00 0.00 28 Y 7.50 4.94 0.00 3.12 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 29 I 7.39 4.68 1.91 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 1.55 0.56 0.96 0.00 0.00 30 V 8.19 4.54 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 0.88 0.00 0.00 0.95 0.00 0.00 31 G 8.24 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.41 4.21 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 0.00 33 Q 7.49 4.69 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 34 C 7.68 5.11 0.00 3.21 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 35 K 8.49 4.44 0.00 2.04 1.87 0.00 1.93 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.55 7.81 36 R 8.49 4.09 0.00 1.76 1.93 0.00 3.10 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 37 V 7.57 3.93 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 0.73 0.00 0.00 0.87 0.00 0.00 38 N 8.76 4.59 0.00 2.34 2.49 0.00 0.00 6.32 6.76 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 39 T 7.51 3.93 4.07 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 1.05 0.00 0.00 40 F 8.27 5.23 0.00 3.18 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 41 I 8.20 4.93 2.23 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 1.43 1.51 1.15 0.00 0.00 42 I 8.06 4.51 1.98 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 1.17 1.16 1.02 0.00 0.00 43 S 8.10 4.62 0.00 3.95 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 44 S 8.26 4.26 0.00 4.11 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 45 A 8.96 4.28 1.71 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 0.00 0.00 46 T 7.99 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 47 T 8.11 4.19 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 48 V 8.04 3.46 2.36 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 1.01 0.00 0.00 1.18 0.00 0.00 49 K 8.03 4.13 0.00 2.41 2.16 0.00 2.12 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.92 7.81 50 A 8.21 4.44 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 51 I 7.82 3.87 1.79 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 1.10 0.00 0.00 52 C 7.49 4.90 0.00 3.03 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 53 T 7.37 4.47 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 54 G 8.36 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.04 4.32 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 0.80 0.00 0.00 0.92 0.00 0.00 56 I 8.15 3.99 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.89 0.00 0.00 57 N 7.13 4.80 0.00 2.73 2.68 0.00 0.00 6.73 7.28 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 58 M 7.86 4.59 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 59 N 8.59 5.09 0.00 2.56 2.67 0.00 0.00 6.64 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 60 V 8.60 4.70 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 0.98 0.00 0.00 0.94 0.00 0.00 61 L 8.23 5.04 0.00 1.75 1.64 0.97 0.62 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 62 S 8.97 4.33 0.00 4.25 3.56 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 63 T 8.68 4.14 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 64 T 8.40 3.78 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 1.27 0.00 0.00 65 R 8.22 4.88 0.00 1.97 2.07 0.00 3.05 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.42 0.00 66 F 8.93 4.18 0.00 3.15 3.27 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 67 Q 7.28 3.23 0.00 2.23 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 68 L 8.06 4.80 0.00 1.87 1.77 0.96 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.89 4.84 0.00 2.93 2.88 0.00 0.00 7.52 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 70 T 8.44 4.54 4.17 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 1.08 0.00 0.00 71 C 8.32 4.97 0.00 2.76 3.25 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 72 T 8.16 4.73 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 1.15 0.00 0.00 73 R 8.31 3.12 0.00 1.52 1.70 0.00 3.02 0.00 0.00 3.02 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.06 0.00 74 T 8.08 3.91 4.17 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 1.18 0.00 0.00 75 S 8.67 4.32 0.00 3.75 3.72 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 76 I 8.85 3.14 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.91 0.00 0.00 77 T 8.44 3.36 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 78 P 0.00 4.57 0.00 2.22 2.05 0.00 3.32 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 79 R 8.38 4.72 0.00 1.76 1.91 0.00 3.24 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 80 P 0.00 4.56 0.00 2.28 2.29 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 81 C 8.02 4.75 0.00 3.27 3.24 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 82 P 0.00 4.83 0.00 2.12 2.44 0.00 3.57 0.00 0.00 3.93 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 83 Y 8.58 4.98 0.00 2.82 2.94 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 84 S 8.64 4.70 0.00 3.91 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 85 S 8.65 4.88 0.00 3.81 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 86 R 8.74 4.60 0.00 1.88 1.70 0.00 3.06 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 87 T 8.50 5.46 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 1.28 0.00 0.00 88 E 8.06 4.79 0.00 2.01 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 2.14 2.19 0.00 89 T 8.86 4.11 4.48 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 1.43 0.00 0.00 90 N 8.95 4.59 0.00 2.84 2.95 0.00 0.00 6.67 7.44 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 91 Y 7.03 5.30 0.00 3.13 3.19 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 92 I 8.42 4.62 1.75 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.23 1.16 0.00 0.00 93 C 8.66 5.25 0.00 3.38 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 94 V 8.58 5.00 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 0.51 0.00 0.00 0.66 0.00 0.00 95 K 8.65 4.83 0.00 1.81 1.79 0.00 1.15 0.00 0.00 0.96 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 1.37 7.81 96 C 8.56 5.25 0.00 2.79 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 97 E 7.98 4.91 0.00 2.03 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 2.04 2.17 0.00 98 N 9.71 4.05 0.00 2.79 2.96 0.00 0.00 7.14 7.72 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 99 Q 8.15 4.03 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 100 Y 7.22 4.59 0.00 3.16 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 0.00 101 P 0.00 4.60 0.00 1.71 1.83 0.00 3.15 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 102 V 6.64 2.60 0.98 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 0.29 0.00 0.00 -0.69 0.00 0.00 103 H 7.31 4.97 0.00 3.18 3.30 0.00 5.51 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.83 5.29 0.00 3.20 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 0.00 105 A 9.28 4.05 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 0.00 106 G 7.58 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 0.00 107 I 8.33 3.72 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.84 0.00 0.00 108 G 8.56 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 0.00 109 R 8.09 3.86 0.00 1.84 1.97 0.00 3.16 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 110 C 8.39 5.14 0.00 3.06 2.98 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 0.00 0.00 0.00 111 P 0.00 4.43 0.00 2.18 2.03 0.00 3.80 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 1.98 1.95 0.00