NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6157 8.2227 120.1958 54.2910 43.6950 176.9155 7 F 4.2784 8.2865 120.9199 61.0373 39.7881 175.7692 8 Q 3.5534 8.0204 116.9213 58.3873 29.0292 177.4187 9 Q 4.0494 7.8575 119.4104 59.3652 29.5425 178.0112 10 R 4.1518 7.9874 119.2687 59.1302 30.0661 178.5693 11 R 4.2606 7.9125 112.8767 56.5335 29.4112 177.8309 12 A 3.8942 7.6788 124.2949 56.0076 18.3028 179.2808 13 H 4.7993 8.2527 106.9014 55.9105 29.3143 175.4947 14 L 4.3817 7.5398 120.1201 55.5526 43.1689 178.2449 15 A 3.7091 7.3093 119.9039 54.9620 18.1891 177.9587 16 N 4.8781 7.8975 109.2265 52.8647 39.1064 174.7694 17 L 4.1936 8.4277 120.8645 54.4140 42.4525 177.9094 18 S 4.4706 8.7918 118.5064 57.7586 65.3357 175.0343 19 D 4.4074 8.7000 122.7826 58.0574 40.5882 179.2806 20 E 4.0211 8.1772 118.1531 59.4957 29.5163 179.1835 21 E 4.2293 7.7775 118.6312 58.6917 29.6322 179.1322 22 L 4.0232 8.5702 120.8841 57.9678 42.1770 178.8429 23 Q 4.0070 8.3505 119.8975 59.5466 29.0103 178.3636 24 T 4.1582 8.1470 110.7290 64.7048 68.8571 176.4453 25 R 3.9833 8.2914 121.8934 59.0945 30.2059 178.1187 26 F 4.0097 8.2075 120.4380 60.9624 39.3663 176.9173 27 W 4.3650 8.4474 117.9931 58.7989 29.2008 178.3308 28 E 4.0517 8.2671 119.8804 59.2318 29.0479 178.5325 29 M 4.1359 7.9787 117.9394 57.6756 32.2234 178.0961 30 A 3.7739 7.4539 120.8000 55.4690 18.2852 179.3786 31 E 3.9405 8.2178 117.3669 59.4420 29.5412 179.1670 32 K 4.1118 7.4426 115.8843 58.9917 32.1435 179.0806 33 I 3.9329 7.6518 119.8553 63.9658 37.4361 178.1084 34 V 3.9151 7.6608 112.3077 63.0616 31.5037 178.2313 35 D 4.3528 7.7958 119.2137 57.1095 40.7505 176.8672 36 P 4.2500 0.0000 0.0000 65.5626 31.0074 178.6785 37 L 4.0080 7.7794 116.6901 57.8144 42.0198 179.0213 38 L 4.1445 7.9250 118.9939 57.6220 41.5352 179.0618 39 D 4.3090 8.3298 118.1935 57.3826 40.7562 178.0779 40 L 4.1040 8.0506 119.6522 58.0449 41.3646 179.8973 41 G 3.8362 7.7073 104.1949 47.4290 0.0000 175.7541 42 K 4.1865 7.8930 120.1490 58.6721 32.2870 178.6548 43 K 4.4574 7.8173 114.9212 55.5861 32.7488 175.5246 44 N 5.1102 7.1112 116.2706 51.7616 42.6340 172.8857 45 T 4.7474 8.1075 112.9657 60.1034 70.9696 172.8058 46 T 4.7651 7.8964 113.1672 58.3497 73.2652 172.7812 47 P 4.2486 0.0000 0.0000 66.0145 31.3459 179.1364 48 S 4.1692 8.0188 112.3434 61.3082 62.9942 176.4356 49 I 3.6855 7.4726 122.5378 64.2825 37.0100 178.0592 50 E 3.9819 8.4728 119.7046 59.7143 29.2547 179.7556 51 R 3.9940 8.7081 118.4841 59.2783 30.1062 179.3080 52 S 4.1458 8.1860 114.1440 61.3392 62.7734 176.7540 53 V 3.6162 7.6716 121.1893 65.6804 31.5669 177.7845 54 L 4.2225 7.8482 118.2697 57.7940 41.5561 179.1530 55 L 4.6106 8.0682 120.4163 57.5560 41.4364 180.0265 56 R 4.0827 7.9088 115.9652 58.6023 30.0483 177.7087 57 M 4.4786 8.3646 116.5290 55.3666 32.4603 176.1331 58 G 3.8810 8.0859 106.1160 46.3754 0.0000 173.3651 59 F 4.7589 8.1318 117.1040 55.0546 41.7464 175.7308 60 S 4.7652 8.4390 118.9539 57.7107 65.2423 175.5948 61 S 4.2226 8.6031 117.6754 61.7745 62.0837 176.6908 62 L 3.9988 7.8675 121.9387 57.6548 41.5642 179.2192 63 E 4.1026 8.2439 117.9252 59.2435 29.4278 179.1836 64 A 3.9878 8.6339 121.3144 54.9070 18.4600 179.3960 65 K 3.7732 8.1060 117.9202 59.8396 32.3011 178.7592 66 A 4.0974 7.6784 119.6279 55.2246 18.1630 179.7648 67 I 3.8875 7.7020 117.8280 64.6837 37.2383 178.9114 68 V 3.3930 7.8356 119.1077 65.8972 31.0019 177.8044 69 D 4.3280 8.6269 119.2525 57.2276 40.7228 178.9305 70 K 3.5271 8.0681 118.9324 59.3671 31.9951 179.2782 71 T 3.7274 8.4327 116.9390 67.2449 68.2958 176.4062 72 M 4.0287 7.9723 120.1653 58.1565 31.6509 178.6345 73 D 4.2487 7.0607 118.0695 57.4108 41.1716 178.4357 74 R 4.1607 7.3582 114.3190 55.4144 30.6812 176.5719 75 G 3.9231 7.5534 106.7044 47.3137 0.0000 174.3891 76 L 4.7129 8.0042 115.6163 54.3264 43.2397 178.9158 77 M 4.0599 8.3187 120.7939 58.5128 31.9782 178.8443 78 G 3.7491 8.1349 105.8502 48.0729 0.0000 174.3367 79 K 4.1166 7.9908 118.5023 56.7873 32.8784 177.8971 80 G 3.9232 8.3268 107.3747 45.9331 0.0000 174.4439 81 A 4.1842 9.1734 126.8213 55.0793 17.8927 179.9001 82 G 3.6418 8.0591 103.5694 47.5793 0.0000 175.3851 83 H 4.4544 8.0779 120.4011 59.3106 29.9224 177.0545 84 I 3.5909 7.9511 121.6720 64.1681 37.0240 178.0522 85 V 3.7218 7.5501 117.1723 64.4703 31.4491 177.2883 86 Y 4.2722 7.6622 121.0734 61.1417 38.8662 178.0245 87 K 3.9231 8.3339 124.8825 59.8317 31.6915 181.0285 88 I 3.8013 7.4680 120.8655 63.6905 36.8963 178.5067 89 A 3.8001 7.2731 120.9460 55.0464 18.2963 179.8926 90 K 3.7011 7.5955 116.8222 59.3806 31.8993 178.9574 91 E 3.7645 7.9476 119.0516 59.2691 29.4104 177.8479 92 K 4.1461 7.4930 114.1591 55.2971 32.6196 176.7549 93 N 4.0155 7.5684 115.4543 54.7022 36.1350 172.0553 94 I 4.6381 7.5255 117.5062 58.3937 41.6925 176.7153 95 S 4.3152 8.2167 115.9516 58.1867 64.9438 174.9721 96 V 3.6015 8.4875 123.0932 66.5171 31.0321 178.4244 97 R 3.7022 7.9047 117.4559 59.5960 30.0881 178.2131 98 E 4.0047 8.2446 118.1475 59.4200 29.6090 179.2272 99 A 4.5146 8.4894 120.7646 54.5268 18.4121 179.8067 100 G 3.7304 8.2114 104.5246 47.4846 0.0000 176.1864 101 L 4.0983 8.4986 120.6522 58.4603 41.9959 178.7414 102 A 3.7480 8.7072 119.0591 55.5655 18.2291 179.2101 103 L 4.0583 8.4923 116.2209 57.1346 41.8840 180.0669 104 S 4.2844 7.9044 112.2359 61.8000 62.7519 175.7504 105 E 4.3546 8.1506 119.0641 56.1632 29.5850 177.2394 106 G 4.2103 8.1271 107.1614 45.2061 0.0000 174.0181 107 K 4.1778 7.9641 119.3188 55.4820 33.8736 175.8567 108 Y 4.0024 7.8561 113.4397 58.9261 35.6635 172.9327 109 W 4.4291 8.3040 123.5305 60.3588 29.5324 178.3464 110 D 4.6611 8.3070 120.6635 58.6807 38.9930 180.3579 111 D 4.6553 8.1226 118.6183 57.2309 41.1741 178.1741 112 A 4.1336 8.1550 121.2050 55.0624 17.9530 179.9330 113 I 4.0959 7.3686 113.4409 60.7883 36.9848 176.2140 114 Q 4.3674 8.4601 125.0686 57.2398 29.2157 173.1848 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 6 D 8.22 4.62 0.00 2.81 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 7 F 8.29 4.28 0.00 3.17 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 8 Q 8.02 3.55 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 9 Q 7.86 4.05 0.00 2.02 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 10 R 7.99 4.15 0.00 2.14 2.06 0.00 3.37 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 11 R 7.91 4.26 0.00 1.91 1.85 0.00 2.21 0.00 0.00 2.93 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 12 A 7.68 3.89 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 13 H 8.25 4.80 0.00 3.29 3.40 0.00 5.50 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.54 4.38 0.00 1.62 1.69 0.92 1.19 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 15 A 7.31 3.71 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 16 N 7.90 4.88 0.00 2.70 2.82 0.00 0.00 6.93 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 17 L 8.43 4.19 0.00 1.83 1.61 0.94 -0.09 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 18 S 8.79 4.47 0.00 4.08 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 19 D 8.70 4.41 0.00 2.71 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 20 E 8.18 4.02 0.00 2.07 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 0.00 2.42 2.48 0.00 21 E 7.78 4.23 0.00 2.35 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 2.19 0.00 22 L 8.57 4.02 0.00 1.81 1.80 0.95 0.53 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 23 Q 8.35 4.01 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 24 T 8.15 4.16 4.33 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 1.33 0.00 0.00 25 R 8.29 3.98 0.00 2.12 2.19 0.00 3.14 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 26 F 8.21 4.01 0.00 3.18 3.05 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 27 W 8.45 4.36 0.00 3.62 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 28 E 8.27 4.05 0.00 2.39 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 2.35 2.42 0.00 29 M 7.98 4.14 0.00 2.05 1.96 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 2.71 2.53 0.00 30 A 7.45 3.77 1.09 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 31 E 8.22 3.94 0.00 2.28 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 2.49 2.39 0.00 32 K 7.44 4.11 0.00 1.94 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.48 7.81 33 I 7.65 3.93 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.87 0.00 0.00 34 V 7.66 3.92 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 0.90 0.00 0.00 1.03 0.00 0.00 35 D 7.80 4.35 0.00 2.65 2.72 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 36 P 0.00 4.25 0.00 2.15 2.11 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 37 L 7.78 4.01 0.00 1.82 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.93 4.14 0.00 1.87 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.33 4.31 0.00 2.79 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 40 L 8.05 4.10 0.00 1.96 1.72 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.71 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 0.00 0.00 0.00 42 K 7.89 4.19 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 43 K 7.82 4.46 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.51 7.81 44 N 7.11 5.11 0.00 2.92 2.67 0.00 0.00 6.60 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 45 T 8.11 4.75 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 1.26 0.00 0.00 46 T 7.90 4.77 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 1.21 0.00 0.00 47 P 0.00 4.25 0.00 2.18 2.15 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 48 S 8.02 4.17 0.00 4.05 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 0.00 49 I 7.47 3.69 2.04 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 0.58 0.92 0.00 0.00 50 E 8.47 3.98 0.00 2.08 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 2.52 2.53 0.00 51 R 8.71 3.99 0.00 1.96 2.00 0.00 3.14 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 52 S 8.19 4.15 0.00 4.08 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 53 V 7.67 3.62 2.22 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 0.87 0.00 0.00 1.03 0.00 0.00 54 L 7.85 4.22 0.00 1.99 1.72 0.82 0.35 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 55 L 8.07 4.61 0.00 1.89 1.78 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.91 4.08 0.00 2.09 2.03 0.00 3.17 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 57 M 8.36 4.48 0.00 2.37 2.44 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 58 G 8.09 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 59 F 8.13 4.76 0.00 3.23 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 60 S 8.44 4.77 0.00 4.08 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 61 S 8.60 4.22 0.00 4.09 4.20 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 62 L 7.87 4.00 0.00 1.75 1.79 0.94 1.00 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 63 E 8.24 4.10 0.00 2.28 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 2.42 2.42 0.00 64 A 8.63 3.99 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 65 K 8.11 3.77 0.00 1.99 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.48 7.81 66 A 7.68 4.10 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 67 I 7.70 3.89 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.02 1.00 0.00 0.00 68 V 7.84 3.39 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 1.04 0.00 0.00 1.04 0.00 0.00 69 D 8.63 4.33 0.00 2.89 2.65 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 70 K 8.07 3.53 0.00 1.77 0.76 0.00 2.09 0.00 0.00 1.60 0.00 0.00 3.18 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.23 1.59 7.81 71 T 8.43 3.73 4.47 0.00 0.00 0.00 0.00 0.00 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 72 M 7.97 4.03 0.00 2.03 2.05 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 2.82 2.56 0.00 73 D 7.06 4.25 0.00 2.60 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 74 R 7.36 4.16 0.00 1.74 1.94 0.00 3.35 0.00 0.00 2.95 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.00 75 G 7.55 3.92 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 76 L 8.00 4.71 0.00 1.97 1.78 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 M 8.32 4.06 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 78 G 8.13 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 79 K 7.99 4.12 0.00 1.93 1.93 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.56 7.81 80 G 8.33 3.92 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 81 A 9.17 4.18 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 82 G 8.06 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.08 4.45 0.00 3.21 3.61 0.00 5.70 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 84 I 7.95 3.59 1.96 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 1.74 0.94 0.66 0.00 0.00 85 V 7.55 3.72 2.19 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 0.99 0.00 0.00 0.81 0.00 0.00 86 Y 7.66 4.27 0.00 3.27 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 87 K 8.33 3.92 0.00 1.79 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 88 I 7.47 3.80 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.54 0.00 0.00 89 A 7.27 3.80 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 90 K 7.60 3.70 0.00 1.46 1.66 0.00 1.48 0.00 0.00 0.62 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.02 7.81 91 E 7.95 3.76 0.00 2.02 1.84 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 2.25 2.37 0.00 92 K 7.49 4.15 0.00 1.42 1.58 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.17 0.70 7.81 93 N 7.57 4.02 0.00 2.74 2.76 0.00 0.00 6.67 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 94 I 7.53 4.64 1.84 0.00 0.00 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 1.30 0.52 0.91 0.00 0.00 95 S 8.22 4.32 0.00 4.04 3.98 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 96 V 8.49 3.60 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 1.25 0.00 0.00 1.03 0.00 0.00 97 R 7.90 3.70 0.00 1.81 1.85 0.00 2.76 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 98 E 8.24 4.00 0.00 2.18 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 0.00 2.34 2.48 0.00 99 A 8.49 4.51 1.29 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 0.00 0.00 100 G 8.21 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 0.00 0.00 0.00 101 L 8.50 4.10 0.00 1.95 1.82 1.04 0.80 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 0.00 102 A 8.71 3.75 1.53 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 0.00 0.00 103 L 8.49 4.06 0.00 1.78 1.61 0.74 -0.95 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 0.00 104 S 7.90 4.28 0.00 4.12 4.28 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 0.00 105 E 8.15 4.35 0.00 2.15 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 2.36 2.36 0.00 106 G 8.13 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 0.00 107 K 7.96 4.18 0.00 1.41 1.02 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.33 7.81 108 Y 7.86 4.00 0.00 2.90 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 0.00 109 W 8.30 4.43 0.00 3.31 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 0.00 110 D 8.31 4.66 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 111 D 8.12 4.66 0.00 2.85 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 0.00 112 A 8.16 4.13 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 0.00 0.00 0.00 0.00 0.00 113 I 7.37 4.10 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.99 0.96 0.00 0.00 114 Q 8.46 4.37 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.55 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00