NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6070 8.3649 120.3149 53.3676 40.2484 175.2657 2 C 4.6506 8.5668 122.1604 53.6503 39.1113 171.4236 3 P 4.4210 0.0000 0.0000 62.5879 32.0988 173.4803 4 S 4.6126 8.5144 121.2983 56.4541 62.1909 173.9325 5 D 5.6822 7.8176 135.0000 54.7600 38.3943 177.6633 6 W 4.8542 8.5795 120.1630 55.3178 31.0039 176.0210 7 S 5.0551 9.5796 119.2301 57.3315 65.2601 173.1767 8 S 5.5010 8.6907 117.8491 57.3271 65.3275 173.6099 9 Y 4.0422 9.2199 124.4227 57.6268 41.7669 174.6134 10 E 3.6247 9.1171 128.9164 57.4446 26.8835 175.5781 11 G 3.8981 7.8652 103.0741 46.0789 0.0000 171.6569 12 H 4.8202 8.0815 115.9774 53.7786 32.9806 171.8318 13 C 5.3464 8.1143 118.1928 55.4591 40.8415 172.7236 14 Y 5.6454 9.5564 120.6127 56.4894 42.0976 174.7525 15 K 4.3227 8.9786 122.7559 54.9199 35.8280 173.0833 16 P 5.1200 0.0000 0.0000 62.0472 32.5566 175.4412 17 F 4.7134 9.0447 121.4893 55.9455 41.9298 176.8249 18 S 3.1386 8.5441 118.8774 61.2771 62.9183 174.7394 19 E 3.9664 7.8353 119.8801 55.7938 29.5542 175.4286 20 P 4.6412 0.0000 0.0000 62.7330 31.9365 176.0530 21 K 4.7951 9.0656 122.6944 54.4887 37.4181 175.7096 22 N 5.5662 8.4458 118.5355 51.3234 38.6885 175.9151 23 W 2.6068 7.8876 127.3033 60.1731 30.3406 177.2893 24 A 3.9982 8.0435 119.8017 55.6791 17.6447 179.0017 25 D 4.1444 8.6021 116.7621 57.4721 40.9090 179.1255 26 A 2.9256 7.3597 120.9842 54.5810 18.0173 179.3358 27 E 3.3940 7.3616 117.8822 59.3117 29.4894 178.6440 28 N 4.2159 8.0000 117.1039 56.3254 38.6864 176.6819 29 F 4.0406 8.0170 121.8753 61.4819 39.9457 176.0736 30 C 4.5454 8.3279 116.4683 60.2661 38.8745 176.2795 31 T 4.0983 7.5113 112.7771 64.4649 68.1570 176.2782 32 Q 4.0463 7.4965 118.7155 57.2181 28.8808 177.4706 33 Q 4.0617 7.4850 119.8918 57.5288 29.6912 174.7022 34 H 3.9658 6.9627 115.5677 54.7570 33.2895 172.8070 35 A 3.9620 7.7651 127.7140 53.6361 18.3362 178.1456 36 G 3.9262 8.9391 110.9860 45.4038 0.0000 173.6135 37 G 3.9487 8.0893 108.2915 46.9218 0.0000 172.9187 38 H 5.1018 9.0634 119.3880 54.2920 34.2187 172.5502 39 L 4.8047 8.7660 122.5199 54.6435 42.7670 176.9612 40 V 4.2085 8.8331 125.0700 62.5749 32.2617 175.1455 41 S 4.8177 9.3407 118.6488 56.3774 64.9825 173.3618 42 F 5.2825 8.7835 123.4013 56.5822 39.4455 175.5556 43 Q 4.6224 9.8504 125.3321 56.3837 29.6577 175.8094 44 S 4.6555 7.4719 112.0199 56.3060 67.2178 174.6979 45 S 4.0703 8.5394 115.5806 61.1106 62.0423 175.5965 46 E 3.9046 8.0489 120.1593 59.1348 29.5153 178.6017 47 E 2.9782 7.7281 119.0648 58.3766 29.5697 178.5245 48 A 2.5800 7.1489 120.7294 54.8173 18.4662 179.4225 49 D 4.0234 7.7702 117.2300 57.0710 40.7235 179.0097 50 F 3.8027 7.3631 120.9095 61.1144 39.3980 177.3753 51 V 3.1125 7.2387 117.7723 65.7026 31.2526 177.9721 52 V 3.3037 7.3142 118.2757 65.8960 31.3514 178.2089 53 K 3.9245 7.5619 117.9335 59.5325 32.3956 178.8727 54 L 3.5502 7.4598 121.3751 57.7949 41.9172 178.7589 55 A 3.6604 8.0870 120.9760 55.0144 18.1478 179.3906 56 F 4.1443 8.1713 120.4442 61.0923 39.2812 177.3510 57 Q 4.0369 8.3896 116.8295 59.0103 28.4766 178.7164 58 T 3.8307 7.4935 115.7657 65.3135 68.7272 175.9551 59 F 5.0803 7.6367 115.8938 56.4446 41.2121 177.1744 60 G 2.8263 7.9926 110.4471 45.9233 0.0000 174.2941 61 H 4.6554 8.4451 122.8073 56.3243 29.2484 174.5612 62 S 4.4394 8.7257 122.1829 57.2125 65.3230 172.3088 63 I 5.0158 7.5259 111.9679 59.2498 40.5609 174.4799 64 F 5.0434 8.9176 122.6589 55.3841 41.8970 174.4459 65 W 5.0114 9.2800 122.8083 57.2117 30.2596 175.3419 66 M 4.9332 8.8755 122.1834 52.6520 34.8628 175.8961 67 G 4.1188 8.9643 108.2715 46.2542 0.0000 173.9566 68 L 4.5919 8.2027 121.4150 52.6875 44.3676 175.0243 69 S 4.0735 7.6968 118.9361 56.0162 66.4419 172.8721 70 N 4.1558 7.7937 114.2238 52.7315 35.8157 176.6606 71 V 3.3508 7.2977 112.9577 63.6731 32.1126 178.0527 72 W 4.9351 7.4568 116.4354 56.4351 30.6457 177.1811 73 N 4.1536 7.7909 116.6127 55.9070 38.0682 176.1812 74 Q 4.6346 7.9335 112.8005 55.9433 28.9475 175.1095 75 C 4.3950 8.2480 117.5725 59.7867 28.9238 173.6844 76 N 4.6872 8.0384 119.9086 52.1096 37.0565 172.4545 77 W 4.3594 8.4980 122.6980 55.5858 29.9985 175.8749 78 Q 4.6477 8.3763 123.7482 53.7436 31.7238 174.4458 79 W 4.4683 8.6474 124.4833 55.9927 29.9377 177.6493 80 S 4.2810 9.0954 117.8481 61.0931 62.3684 174.6645 81 N 4.6120 8.4021 116.5378 52.1609 37.1879 174.7553 82 A 3.7822 8.4009 119.3593 53.2277 16.8361 177.9628 83 A 4.2785 8.1698 121.0932 52.9577 19.0335 178.6629 84 M 4.1312 8.5894 122.0830 55.4401 32.4585 176.4542 85 L 4.5872 8.6748 125.7373 54.9528 41.0563 175.0717 86 R 4.5405 8.2078 121.7340 57.6926 32.8500 176.0057 87 Y 4.2053 7.9925 118.6568 57.5829 39.5154 175.5342 88 K 4.3542 7.7161 125.1350 54.8948 35.8867 176.4356 89 A 4.4124 6.9998 122.6088 50.4788 19.1628 177.3188 90 W 4.2020 7.7416 121.5812 56.7704 30.2002 177.3039 91 A 4.2108 8.9626 126.7652 54.3285 18.2476 177.4343 92 E 4.7077 8.0166 113.7933 54.2228 32.3117 175.3584 93 E 3.9915 8.9058 125.3661 58.6705 30.1123 176.6067 94 S 4.6771 7.3873 111.0038 57.4985 66.2751 172.3228 95 Y 4.9726 8.4826 118.6534 56.6925 40.7226 175.2548 96 C 5.0370 9.3907 118.7516 55.1271 40.6776 172.9890 97 V 5.1002 8.4717 120.7420 62.0144 33.2008 174.3111 98 Y 5.5340 9.2735 124.6084 55.5878 42.1674 173.4568 99 F 5.2650 9.2836 114.5004 54.9514 41.8515 173.5546 100 K 5.2243 8.7429 121.3236 54.5074 34.1092 177.0994 101 S 4.5998 9.1186 120.1543 60.0737 62.7541 175.0777 102 T 4.1947 7.9770 112.3272 63.6454 69.1822 173.8537 103 N 4.6691 7.7287 117.2613 52.3391 39.5734 173.2756 104 N 4.7981 8.5427 113.5229 52.6488 37.5037 175.3784 105 K 4.2774 7.9821 118.1911 56.7343 32.6605 176.4437 106 W 4.9452 8.7315 122.7162 56.1781 30.3710 175.9587 107 R 4.8926 8.8245 122.3615 54.4047 34.0715 174.2854 108 S 5.5547 8.8092 115.6767 57.3347 65.6117 173.2921 109 R 5.0700 9.4723 120.9485 54.7818 34.0909 173.9060 110 A 3.7728 8.6740 127.1940 52.1343 19.0074 179.1927 111 C 3.7998 8.8570 121.2803 59.7269 40.4901 176.2545 112 R 3.8267 7.7358 114.0490 57.9766 29.8384 176.4343 113 M 4.4934 8.2606 119.6300 55.0936 33.6143 175.4572 114 M 5.0084 8.3799 119.3182 55.3606 33.5207 175.6215 115 A 3.9047 7.9468 120.5496 51.6036 23.5546 176.3869 116 Q 4.8765 7.6300 119.2536 55.6463 31.5998 174.5011 117 F 5.4174 8.0841 113.2459 56.7695 41.9672 173.1538 118 V 5.0999 8.6144 118.5750 61.5460 34.5442 173.7950 119 C 5.8977 9.6209 125.0159 55.8249 41.8665 172.3193 120 E 5.6345 9.6990 117.7453 56.0092 33.0238 173.6971 121 F 5.1328 8.4352 114.8326 56.1750 42.0426 172.2724 122 Q 4.5166 8.7748 120.3119 53.5571 30.3555 175.1178 123 A 4.1201 7.8129 128.2874 53.2707 20.6021 175.8007 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 1 D 8.36 4.61 0.00 2.80 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 2 C 8.57 4.65 0.00 3.14 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 3 P 0.00 4.42 0.00 2.28 2.06 0.00 3.70 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 4 S 8.51 4.61 0.00 4.03 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 5 D 7.82 5.68 0.00 2.90 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 6 W 8.58 4.85 0.00 3.26 3.23 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 7 S 9.58 5.06 0.00 4.03 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 0.00 8 S 8.69 5.50 0.00 3.78 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 9 Y 9.22 4.04 0.00 1.43 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 0.00 0.00 0.00 0.00 10 E 9.12 3.62 0.00 1.65 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 1.80 1.47 0.00 11 G 7.87 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 0.00 0.00 0.00 12 H 8.08 4.82 0.00 3.34 2.60 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.11 5.35 0.00 1.23 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 14 Y 9.56 5.65 0.00 3.13 2.99 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 15 K 8.98 4.32 0.00 0.79 0.74 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.58 7.81 16 P 0.00 5.12 0.00 1.75 1.91 0.00 3.26 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 17 F 9.04 4.71 0.00 1.51 2.37 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 18 S 8.54 3.14 0.00 3.45 3.50 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 19 E 7.84 3.97 0.00 1.77 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 2.26 2.26 0.00 20 P 0.00 4.64 0.00 1.86 1.88 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 21 K 9.07 4.80 0.00 1.30 1.39 0.00 1.33 0.00 0.00 1.18 0.00 0.00 2.66 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.20 1.39 7.81 22 N 8.45 5.57 0.00 3.16 3.06 0.00 0.00 6.35 8.88 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 23 W 7.89 2.61 0.00 1.78 2.62 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 24 A 8.04 4.00 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 25 D 8.60 4.14 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.36 2.93 0.27 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 27 E 7.36 3.39 0.00 1.16 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 1.99 2.14 0.00 28 N 8.00 4.22 0.00 2.79 2.91 0.00 0.00 6.91 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 29 F 8.02 4.04 0.00 2.99 3.06 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 30 C 8.33 4.55 0.00 3.25 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 31 T 7.51 4.10 4.15 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 1.28 0.00 0.00 32 Q 7.50 4.05 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 33 Q 7.48 4.06 0.00 2.18 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.85 0.00 34 H 6.96 3.97 0.00 2.51 2.35 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.77 3.96 1.01 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 0.00 0.00 36 G 8.94 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 37 G 8.09 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 38 H 9.06 5.10 0.00 3.20 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.77 4.80 0.00 1.71 1.57 1.02 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.83 4.21 2.52 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 0.88 0.00 0.00 1.44 0.00 0.00 41 S 9.34 4.82 0.00 4.07 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 42 F 8.78 5.28 0.00 3.29 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 43 Q 9.85 4.62 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 44 S 7.47 4.66 0.00 4.03 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 45 S 8.54 4.07 0.00 3.88 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 46 E 8.05 3.90 0.00 2.28 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 0.00 2.41 2.38 0.00 47 E 7.73 2.98 0.00 2.15 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 0.00 2.22 2.10 0.00 48 A 7.15 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.77 4.02 0.00 2.74 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 50 F 7.36 3.80 0.00 2.52 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 51 V 7.24 3.11 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 1.00 0.00 0.00 0.77 0.00 0.00 52 V 7.31 3.30 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 1.00 0.00 0.00 0.42 0.00 0.00 53 K 7.56 3.92 0.00 1.91 1.89 0.00 1.28 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.22 7.81 54 L 7.46 3.55 0.00 1.02 1.36 0.68 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.09 3.66 0.75 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 56 F 8.17 4.14 0.00 3.34 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 57 Q 8.39 4.04 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 58 T 7.49 3.83 3.51 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 -0.04 0.00 0.00 59 F 7.64 5.08 0.00 3.13 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 60 G 7.99 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 0.00 0.00 0.00 61 H 8.45 4.66 0.00 3.22 3.31 0.00 5.95 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.73 4.44 0.00 3.72 3.31 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 63 I 7.53 5.02 1.48 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.20 0.90 0.00 0.00 64 F 8.92 5.04 0.00 1.68 2.74 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 0.00 0.00 0.00 65 W 9.28 5.01 0.00 3.32 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 66 M 8.88 4.93 0.00 1.46 1.75 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.07 0.00 67 G 8.96 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 68 L 8.20 4.59 0.00 1.52 1.33 0.91 0.82 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 69 S 7.70 4.07 0.00 2.72 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 70 N 7.79 4.16 0.00 2.59 2.80 0.00 0.00 7.61 7.68 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 71 V 7.30 3.35 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 0.36 0.00 0.00 -0.67 0.00 0.00 72 W 7.46 4.94 0.00 3.75 3.36 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 73 N 7.79 4.15 0.00 2.88 2.78 0.00 0.00 6.52 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 74 Q 7.93 4.63 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 75 C 8.25 4.40 0.00 2.80 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 76 N 8.04 4.69 0.00 2.65 2.69 0.00 0.00 6.97 7.95 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 77 W 8.50 4.36 0.00 3.38 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 78 Q 8.38 4.65 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 79 W 8.65 4.47 0.00 3.63 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 80 S 9.10 4.28 0.00 4.04 4.10 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 81 N 8.40 4.61 0.00 2.86 2.98 0.00 0.00 6.00 7.26 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 82 A 8.40 3.78 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 83 A 8.17 4.28 1.26 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 0.00 0.00 84 M 8.59 4.13 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 85 L 8.67 4.59 0.00 1.70 1.76 0.98 1.06 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 86 R 8.21 4.54 0.00 1.93 1.96 0.00 3.32 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 87 Y 7.99 4.21 0.00 2.92 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 88 K 7.72 4.35 0.00 1.66 1.63 0.00 2.13 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.48 7.81 89 A 7.00 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 7.74 4.20 0.00 3.21 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 91 A 8.96 4.21 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 92 E 8.02 4.71 0.00 2.09 1.67 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 2.26 2.21 0.00 93 E 8.91 3.99 0.00 1.85 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 0.00 2.17 2.23 0.00 94 S 7.39 4.68 0.00 3.81 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 95 Y 8.48 4.97 0.00 2.35 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 96 C 9.39 5.04 0.00 2.59 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 97 V 8.47 5.10 1.93 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 0.80 0.00 0.00 0.88 0.00 0.00 98 Y 9.27 5.53 0.00 2.74 2.74 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 0.00 0.00 0.00 99 F 9.28 5.27 0.00 3.20 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 K 8.74 5.22 0.00 2.04 1.86 0.00 1.82 0.00 0.00 2.01 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.62 7.81 101 S 9.12 4.60 0.00 4.48 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 0.00 102 T 7.98 4.19 4.29 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 1.34 0.00 0.00 103 N 7.73 4.67 0.00 2.80 2.82 0.00 0.00 6.02 8.04 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 0.00 104 N 8.54 4.80 0.00 2.77 2.77 0.00 0.00 6.03 7.13 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 0.00 105 K 7.98 4.28 0.00 2.06 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.60 7.81 106 W 8.73 4.95 0.00 3.15 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 0.00 107 R 8.82 4.89 0.00 0.67 1.56 0.00 2.88 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 0.00 108 S 8.81 5.55 0.00 4.14 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 0.00 109 R 9.47 5.07 0.00 1.98 1.95 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 110 A 8.67 3.77 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 0.00 111 C 8.86 3.80 0.00 2.80 2.88 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 0.00 112 R 7.74 3.83 0.00 1.88 1.99 0.00 3.00 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 113 M 8.26 4.49 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 114 M 8.38 5.01 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 115 A 7.95 3.90 -0.18 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 0.00 116 Q 7.63 4.88 0.00 1.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.47 0.00 0.00 0.00 0.00 0.00 2.19 1.85 0.00 117 F 8.08 5.42 0.00 3.37 3.28 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 0.00 118 V 8.61 5.10 2.43 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 1.31 0.00 0.00 1.14 0.00 0.00 119 C 9.62 5.90 0.00 3.35 3.53 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 0.00 120 E 9.70 5.63 0.00 1.64 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 0.00 2.41 2.39 0.00 121 F 8.44 5.13 0.00 3.02 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 0.00 122 Q 8.77 4.52 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.18 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 123 A 7.81 4.12 1.42 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 0.00 0.00 0.00