NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4323 8.3349 115.4057 58.1760 64.1336 175.5168 4 V 4.2329 8.2093 111.3803 56.2161 33.7447 172.6596 5 P 4.1861 0.0000 0.0000 62.6203 32.2151 174.0605 6 P 5.0215 0.0000 0.0000 61.7881 32.2269 175.8041 7 G 4.1887 8.4114 107.0245 45.6634 0.0000 172.8123 8 D 5.3470 8.6694 119.7884 52.7051 41.4937 175.1504 9 I 4.7034 8.0078 111.9432 59.1017 40.8059 174.1499 10 N 5.1329 8.8632 120.3890 51.5993 41.7864 173.9290 11 T 5.6322 8.1970 111.5340 59.0079 72.8818 172.8765 12 Q 4.4706 8.2708 121.1716 53.4059 32.3678 173.5720 13 P 4.9014 0.0000 0.0000 62.7196 32.0656 175.8697 14 G 4.2501 7.9436 105.1705 45.4168 0.0000 172.6326 15 S 4.7965 7.9866 117.1549 59.1083 70.0800 175.1045 16 K 4.4986 7.7651 116.1749 56.8996 35.2402 174.3353 17 I 4.3959 8.1823 119.4399 60.1250 41.5367 173.7513 18 V 4.8493 8.3133 129.2964 61.3408 33.4629 174.5160 19 F 4.7930 9.6482 126.7417 55.9690 41.0234 174.3567 20 N 5.4106 9.3786 121.9810 51.8916 39.9114 175.2602 21 A 3.0668 8.5451 125.6731 50.5325 19.5083 175.1028 22 P 3.9805 0.0000 0.0000 61.9379 32.2624 176.6631 23 Y 4.7999 7.3907 119.1875 57.6747 36.7993 176.1880 24 D 4.9555 7.4233 113.8374 52.4988 40.5356 175.3737 25 D 4.5801 7.5745 116.5383 53.5624 44.3421 174.8713 26 K 5.0324 8.7355 123.7097 56.5555 32.5270 175.3973 27 H 4.7676 9.0608 127.9885 55.2753 32.2001 174.0423 28 T 4.8631 7.7472 120.2557 62.2556 70.6670 173.2288 29 Y 4.5780 9.1735 125.4353 57.2331 40.3970 174.2193 30 H 5.5323 8.7441 116.1178 54.4293 32.9059 173.4493 31 I 4.8640 8.9157 120.0561 59.5882 41.9555 174.2379 32 K 4.7972 8.8512 127.2299 54.8933 34.2174 174.6673 33 I 4.6741 8.8209 129.2613 59.9526 39.4861 174.9807 34 T 4.7500 8.5572 123.0733 61.6554 72.5420 173.0320 35 N 4.8427 9.0212 125.4593 53.1394 38.2202 175.0069 36 A 4.3330 8.5102 128.0992 53.5578 19.2385 177.6335 37 G 3.8521 8.4620 104.9197 45.3269 0.0000 173.6307 38 G 3.7798 8.5189 106.9127 46.3587 0.0000 174.0426 39 R 4.5721 7.5084 116.8581 53.6558 33.1028 175.0442 40 R 4.5021 8.0912 118.3466 57.1042 31.5553 175.5573 41 I 4.8869 8.5792 112.1987 59.9669 41.5387 173.8654 42 G 4.9187 9.9416 111.3503 44.3348 0.0000 172.0055 43 W 6.3000 9.6536 121.4842 55.2116 32.2497 173.9188 44 A 5.0242 10.3332 122.6337 50.8298 22.4836 174.9924 45 I 5.1249 8.6287 121.3241 59.7034 39.1489 175.4208 46 K 4.6916 9.4867 127.2054 55.0375 35.6348 175.4882 47 T 5.1475 8.3908 116.7971 59.7763 71.5676 173.8947 48 T 4.5134 8.4405 115.5414 63.6923 69.7105 175.0645 49 N 4.9330 7.9667 120.7980 51.8008 39.6253 174.1379 50 M 4.0270 8.2843 121.7768 57.9919 32.8244 178.5731 51 R 4.0046 8.1042 116.6802 59.2994 30.8720 177.8273 52 R 4.0139 8.3118 117.7267 58.8008 30.3285 176.5039 53 L 5.4406 7.1302 115.8371 53.6824 43.4979 176.0457 54 G 4.2691 8.2413 104.7999 45.4644 0.0000 172.5041 55 V 5.0988 8.1515 122.2294 59.6062 35.4613 174.0345 56 D 4.8387 7.9941 121.4034 53.3752 44.0876 174.1165 57 P 4.7917 0.0000 0.0000 62.2167 32.4585 174.4433 58 P 4.7665 0.0000 0.0000 63.9034 32.3769 175.6786 59 S 3.1252 7.0219 111.3393 57.3668 65.1361 175.2469 60 G 3.5954 5.4364 107.3323 45.9335 0.0000 171.7079 61 V 5.2557 8.5716 119.0450 61.0665 34.2380 175.2330 62 L 5.1470 8.9403 126.4336 53.1847 45.5507 176.8917 63 D 5.0878 10.5898 124.6473 53.2772 42.4084 174.0625 64 P 4.4568 0.0000 0.0000 63.9269 32.2862 177.2488 65 S 3.8952 8.9988 115.0717 59.0488 61.7725 171.3541 66 E 4.5139 7.6671 121.9462 55.8582 30.8788 175.1486 67 K 5.2233 8.2692 120.9660 55.5901 35.9134 175.4025 68 V 4.5273 9.0994 119.9537 60.0625 35.4946 174.0490 69 L 5.0504 8.5781 123.9245 53.8060 43.5128 175.0892 70 M 4.7284 8.9048 124.4240 53.4702 34.4914 174.6669 71 A 4.9459 8.7033 122.7615 50.4697 21.2149 175.9870 72 V 4.5757 8.6166 123.3791 62.0564 33.5883 175.1119 73 S 5.5377 8.9482 122.6726 57.1382 66.9172 172.9601 74 C 4.9826 8.9912 121.9465 58.1968 34.4482 173.2721 75 D 5.1141 8.7848 126.7622 53.5817 42.0285 175.6941 76 T 4.3355 8.5820 111.7688 62.4143 69.4812 174.2563 77 F 4.7819 7.4698 114.2497 57.3880 41.6994 173.5723 78 N 4.8195 8.5063 110.6239 51.2227 38.6448 175.2802 79 A 3.7740 8.1166 124.2269 54.7913 19.0321 179.2739 80 A 4.2143 7.8740 118.2808 55.1311 18.6020 178.0780 81 T 4.5977 8.3574 105.7584 58.6141 68.6307 172.3280 82 E 4.6422 7.6571 126.9115 56.7125 33.6062 174.7679 83 D 4.7072 8.3844 119.7166 53.7852 42.1013 175.8380 84 L 4.8618 8.2826 121.9197 54.5018 43.8138 176.6763 85 N 4.8528 9.2426 115.9872 53.4710 39.3068 175.1844 86 N 5.0102 8.1131 115.4746 52.9613 39.4875 173.6847 87 D 4.9938 7.8838 116.9700 53.1788 43.5916 175.5838 88 R 4.6648 8.1558 118.8228 55.3514 34.5431 173.4963 89 I 4.6095 9.4497 124.9160 59.5883 40.4833 173.9367 90 C 5.1724 10.0435 128.4452 57.6880 33.8156 172.2285 91 I 4.9971 9.0537 127.5720 59.7326 39.1880 174.3028 92 E 5.7242 9.8667 127.4321 54.4887 32.4881 175.2826 93 W 5.9842 9.3548 119.9432 56.3795 32.2511 173.2227 94 T 4.7163 9.2065 114.8572 60.7948 71.1830 172.5384 95 N 5.1615 8.8491 121.9968 52.7736 40.0990 174.2836 96 T 4.0635 7.8774 109.8928 58.6190 71.3037 172.6962 97 P 4.1383 0.0000 0.0000 63.9887 31.8484 178.0792 98 D 4.3774 8.1881 122.6019 56.8744 41.2558 177.5414 99 G 4.0095 7.8499 106.9297 43.1648 0.0000 171.1858 100 A 4.7823 8.0137 126.1553 50.5179 21.9274 176.1557 101 A 4.6713 8.3328 122.4106 50.2810 20.4775 178.4491 102 K 4.2489 8.6028 122.2549 56.4353 30.1568 174.9347 103 Q 4.4369 8.1429 117.2381 54.8008 31.7551 173.4634 104 F 4.5547 9.2548 128.4447 58.6532 40.1073 174.5121 105 R 3.6200 5.8400 125.2734 53.6437 31.7089 175.7511 106 R 3.7822 8.0482 124.4936 59.5849 30.6061 177.8954 107 E 4.2367 8.0268 118.1634 58.8623 29.1184 179.2504 108 W 4.6037 7.7879 117.5712 59.9874 29.0862 178.2311 109 F 4.2052 8.5377 117.0359 60.2142 38.8677 177.4748 110 Q 4.3483 8.3389 117.3705 58.4516 28.5077 177.5546 111 G 4.0873 7.7913 106.7320 44.8515 0.0000 172.4398 112 D 4.4786 8.5781 119.5609 52.8074 41.5174 177.6538 113 G 3.8547 7.4225 109.9158 46.2355 0.0000 170.7199 114 M 4.6679 8.0609 119.4817 53.3946 34.6502 175.2118 115 V 4.2554 7.9682 121.1263 61.1469 34.5573 174.4435 116 R 4.2157 8.3632 128.3288 54.7960 31.8481 175.0506 117 R 5.4336 8.0210 122.1715 54.5332 34.3241 174.6756 118 K 4.7771 9.5500 122.4744 55.1977 36.0766 174.3475 119 N 5.4960 8.9536 124.2009 51.5283 40.9310 174.0924 120 L 4.7343 9.0456 124.1012 52.3288 44.3479 174.0126 121 P 4.6279 0.0000 0.0000 62.1228 33.4149 174.9675 122 I 4.5195 7.6675 122.9180 60.2273 38.4208 174.6976 123 E 4.4753 9.2300 128.5639 54.6040 31.6219 174.0918 124 Y 5.0416 8.6005 125.3546 57.2946 39.2142 174.4215 125 N 4.9046 10.1779 125.4618 51.9893 40.7804 174.9535 126 L 4.2679 8.5763 125.3960 54.9661 41.9862 176.6049 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 3 S 8.33 4.43 0.00 3.95 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 4 V 8.21 4.23 2.06 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.19 0.00 2.15 2.05 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 6 P 0.00 5.02 0.00 2.14 2.18 0.00 2.98 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 7 G 8.41 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 0.00 0.00 0.00 0.00 8 D 8.67 5.35 0.00 2.87 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 9 I 8.01 4.70 1.37 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.02 0.37 0.00 0.00 10 N 8.86 5.13 0.00 2.49 2.63 0.00 0.00 6.87 7.03 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 11 T 8.20 5.63 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 1.04 0.00 0.00 12 Q 8.27 4.47 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.90 0.00 2.21 2.07 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 14 G 7.94 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 15 S 7.99 4.80 0.00 3.70 3.84 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 0.00 0.00 0.00 0.00 16 K 7.77 4.50 0.00 1.76 1.75 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.36 7.81 17 I 8.18 4.40 1.82 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.34 1.03 0.00 0.00 18 V 8.31 4.85 2.10 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 0.98 0.00 0.00 0.93 0.00 0.00 19 F 9.65 4.79 0.00 2.96 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 20 N 9.38 5.41 0.00 2.68 2.77 0.00 0.00 7.05 7.52 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 21 A 8.55 3.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 3.98 0.00 2.09 1.90 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 23 Y 7.39 4.80 0.00 2.48 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 0.00 0.00 0.00 0.00 24 D 7.42 4.96 0.00 2.71 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 25 D 7.57 4.58 0.00 2.70 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 K 8.74 5.03 0.00 1.89 1.80 0.00 1.69 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.38 7.81 27 H 9.06 4.77 0.00 3.47 3.41 0.00 5.86 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 28 T 7.75 4.86 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 1.31 0.00 0.00 29 Y 9.17 4.58 0.00 2.70 2.78 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 0.00 0.00 0.00 30 H 8.74 5.53 0.00 2.94 3.18 0.00 5.84 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 31 I 8.92 4.86 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.87 0.00 0.00 32 K 8.85 4.80 0.00 1.75 1.57 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.34 7.81 33 I 8.82 4.67 1.28 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.26 0.40 0.00 0.00 34 T 8.56 4.75 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 1.13 0.00 0.00 35 N 9.02 4.84 0.00 2.76 2.79 0.00 0.00 6.74 7.42 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 36 A 8.51 4.33 1.30 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 0.00 0.00 0.00 37 G 8.46 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 0.00 0.00 0.00 38 G 8.52 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.51 4.57 0.00 1.78 1.83 0.00 3.21 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 40 R 8.09 4.50 0.00 1.72 1.81 0.00 3.08 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 41 I 8.58 4.89 2.28 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 1.12 0.00 0.00 42 G 9.94 4.92 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 0.00 43 W 9.65 6.30 0.00 3.55 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 44 A 10.33 5.02 0.65 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 45 I 8.63 5.12 2.11 0.00 0.00 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 1.51 1.07 1.01 0.00 0.00 46 K 9.49 4.69 0.00 1.75 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 47 T 8.39 5.15 4.22 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 1.22 0.00 0.00 48 T 8.44 4.51 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 1.23 0.00 0.00 49 N 7.97 4.93 0.00 2.60 2.53 0.00 0.00 7.15 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 50 M 8.28 4.03 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 51 R 8.10 4.00 0.00 1.95 1.96 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 52 R 8.31 4.01 0.00 1.77 1.75 0.00 2.69 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 53 L 7.13 5.44 0.00 1.55 1.61 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.24 4.27 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 0.00 55 V 8.15 5.10 2.13 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 1.01 0.00 0.00 0.97 0.00 0.00 56 D 7.99 4.84 0.00 2.85 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 57 P 0.00 4.79 0.00 2.30 2.09 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 58 P 0.00 4.77 0.00 2.00 2.11 0.00 3.59 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 2.04 2.07 0.00 59 S 7.02 3.13 0.00 2.72 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 60 G 5.44 3.60 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 0.00 0.00 0.00 0.00 61 V 8.57 5.26 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 0.94 0.00 0.00 1.26 0.00 0.00 62 L 8.94 5.15 0.00 1.82 1.57 1.48 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 D 10.59 5.09 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 64 P 0.00 4.46 0.00 2.22 2.33 0.00 3.83 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 2.06 2.16 0.00 65 S 9.00 3.90 0.00 4.00 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 66 E 7.67 4.51 0.00 2.06 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 0.00 2.33 2.28 0.00 67 K 8.27 5.22 0.00 1.72 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.42 7.81 68 V 9.10 4.53 2.13 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 0.45 0.00 0.00 1.01 0.00 0.00 69 L 8.58 5.05 0.00 1.61 1.60 0.91 0.97 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 70 M 8.90 4.73 0.00 1.99 2.30 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 2.51 2.57 0.00 71 A 8.70 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.62 4.58 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 1.31 0.00 0.00 0.98 0.00 0.00 73 S 8.95 5.54 0.00 3.90 3.81 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 74 C 8.99 4.98 0.00 3.63 3.30 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 0.00 75 D 8.78 5.11 0.00 2.83 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 76 T 8.58 4.34 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 1.29 0.00 0.00 77 F 7.47 4.78 0.00 3.30 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 78 N 8.51 4.82 0.00 2.83 2.74 0.00 0.00 7.48 8.03 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 79 A 8.12 3.77 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 80 A 7.87 4.21 1.35 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 0.00 0.00 81 T 8.36 4.60 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 82 E 7.66 4.64 0.00 1.92 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 2.12 2.40 0.00 83 D 8.38 4.71 0.00 2.59 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 84 L 8.28 4.86 0.00 1.74 1.69 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.24 4.85 0.00 2.66 2.87 0.00 0.00 6.72 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 86 N 8.11 5.01 0.00 2.65 2.76 0.00 0.00 6.88 8.06 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 87 D 7.88 4.99 0.00 2.52 2.40 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 88 R 8.16 4.66 0.00 1.86 1.68 0.00 3.03 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 I 9.45 4.61 2.00 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 1.12 0.53 0.91 0.00 0.00 90 C 10.04 5.17 0.00 3.02 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 91 I 9.05 5.00 2.09 0.00 0.00 0.64 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 0.67 0.95 0.00 0.00 92 E 9.87 5.72 0.00 2.11 2.13 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 2.38 2.35 0.00 93 W 9.35 5.98 0.00 3.79 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 94 T 9.21 4.72 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 0.48 0.00 0.00 95 N 8.85 5.16 0.00 2.66 2.64 0.00 0.00 7.23 7.05 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 96 T 7.88 4.06 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 -0.23 0.00 0.00 97 P 0.00 4.14 0.00 2.24 2.08 0.00 2.65 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 98 D 8.19 4.38 0.00 2.67 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 99 G 7.85 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 0.00 0.00 0.00 100 A 8.01 4.78 1.34 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 0.00 101 A 8.33 4.67 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 0.00 102 K 8.60 4.25 0.00 1.82 1.89 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 103 Q 8.14 4.44 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 104 F 9.25 4.55 0.00 2.98 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 0.00 105 R 5.84 3.62 0.00 0.67 0.70 0.00 2.97 0.00 0.00 2.80 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.00 106 R 8.05 3.78 0.00 1.90 1.86 0.00 3.31 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 107 E 8.03 4.24 0.00 1.75 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 2.28 2.39 0.00 108 W 7.79 4.60 0.00 3.32 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 0.00 109 F 8.54 4.21 0.00 3.22 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 0.00 110 Q 8.34 4.35 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 111 G 7.79 4.09 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 0.00 0.00 0.00 112 D 8.58 4.48 0.00 2.66 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 0.00 113 G 7.42 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 0.00 0.00 0.00 114 M 8.06 4.67 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 115 V 7.97 4.26 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 0.84 0.00 0.00 0.97 0.00 0.00 116 R 8.36 4.22 0.00 0.67 0.66 0.00 2.71 0.00 0.00 2.92 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.20 0.00 117 R 8.02 5.43 0.00 1.72 1.86 0.00 3.25 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 118 K 9.55 4.78 0.00 2.09 1.72 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.52 7.81 119 N 8.95 5.50 0.00 2.65 2.72 0.00 0.00 6.86 7.85 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 0.00 120 L 9.05 4.73 0.00 1.50 1.55 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.63 0.00 2.07 2.13 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 122 I 7.67 4.52 1.49 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.07 -0.40 0.00 0.00 123 E 9.23 4.48 0.00 1.94 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 0.00 2.24 2.25 0.00 124 Y 8.60 5.04 0.00 3.00 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 0.00 125 N 10.18 4.90 0.00 2.89 2.90 0.00 0.00 6.71 6.54 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 0.00 126 L 8.58 4.27 0.00 1.72 1.58 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00