NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4568 8.3049 120.3287 54.8947 33.4857 174.4406 2 E 3.9329 8.3292 118.8601 55.3730 30.1008 175.4972 3 A 4.0458 9.2800 126.2944 52.8348 19.7587 177.7813 4 L 4.0137 8.4747 121.8711 55.8641 42.0298 177.9818 5 G 3.7908 9.4399 105.0849 45.5621 0.0000 172.5846 6 A 4.5462 7.4558 116.3034 50.9285 21.9781 176.3784 7 D 4.7541 8.6587 121.4444 53.3020 42.5697 175.8229 8 V 4.6155 8.4203 122.7142 61.4068 34.3300 175.1074 9 T 4.4564 7.8135 121.5273 61.6733 69.0604 174.1950 10 Q 3.8669 8.7236 124.9788 56.7116 29.0719 177.6089 11 G 4.1454 8.8335 108.8489 45.8680 0.0000 172.5146 12 L 5.1014 8.1622 119.9631 52.8232 46.1118 175.1790 13 E 5.1296 8.8718 119.3751 53.9513 34.5349 175.2111 14 K 4.0194 8.2576 122.4298 58.0939 32.3992 177.1544 15 G 4.0073 8.9369 115.5807 44.9848 0.0000 173.8505 16 S 4.3484 8.1986 116.6449 58.5256 64.2241 173.1179 17 L 5.1672 8.4051 123.2412 53.2690 43.1001 175.7537 18 I 4.7394 8.8933 116.9234 59.0414 41.8789 174.5383 19 T 4.4725 8.5085 119.2040 63.5399 69.7728 174.2092 20 C 4.7596 8.7130 126.8632 57.4158 31.3962 174.0098 21 A 4.5416 8.4652 135.0000 50.0463 16.3439 174.5776 22 D 5.3243 7.6709 119.4883 53.4778 42.5082 175.3575 23 N 5.0242 8.3396 115.2058 52.8152 37.6474 176.1023 24 T 3.9493 8.3348 111.4973 64.1074 69.4515 175.2203 25 G 3.9520 8.3159 108.3450 45.0390 0.0000 172.5311 26 A 4.8047 7.4586 123.0768 50.8404 20.5667 176.7116 27 R 4.3486 8.9959 122.8809 57.7575 31.9385 176.0895 28 E 5.0436 8.0560 119.2779 54.2129 32.5699 174.2104 29 L 5.1490 9.1219 126.4549 52.7664 45.4568 175.1668 30 K 4.9405 8.8091 124.4865 54.3191 34.3941 175.5216 31 V 3.9679 8.6502 128.5835 63.5461 31.9994 176.1670 32 I 4.3620 8.4413 127.3161 62.7750 39.8463 175.7413 33 S 4.6403 7.7492 114.8364 57.5523 68.0092 173.6875 34 V 4.5736 8.1741 121.2372 61.0358 33.4678 174.4796 35 H 4.1632 9.3378 128.7350 57.9515 30.0757 174.6537 36 G 3.9371 8.4852 112.7272 46.3612 0.0000 172.0167 37 Y 4.7066 7.7249 119.3188 55.3943 40.3860 175.3056 38 S 4.4031 7.2394 119.9038 56.5918 66.8522 172.9613 39 G 4.0925 7.8011 115.7674 44.9317 0.0000 174.7182 40 T 4.4392 8.3419 117.8327 59.9166 69.9313 172.0187 41 K 3.8423 8.4945 125.5319 58.3448 32.2703 176.9156 42 N 4.5346 8.9857 121.5481 53.6804 37.3496 174.4957 43 R 4.0889 7.9253 119.2020 55.9333 30.6479 175.4888 44 H 4.5217 8.7403 123.2520 54.5838 29.6098 173.3249 45 P 4.6000 0.0000 0.0000 63.5335 31.7326 175.2617 46 K 5.0539 7.8387 121.9938 55.1738 35.3316 175.1685 47 A 4.6848 9.1595 122.6867 50.9612 23.3351 176.0999 48 G 4.1264 9.1702 107.7540 44.1658 0.0000 171.5800 49 L 4.1288 8.2931 119.1616 56.8707 41.8164 178.2671 50 G 4.1020 8.9916 111.4208 45.4333 0.0000 173.0155 51 D 4.8632 7.8716 119.8300 53.3038 43.1475 175.3484 52 K 4.7744 8.6595 123.1959 55.0297 33.8827 175.0981 53 I 4.9375 8.3871 120.8504 59.4315 41.1634 174.6337 54 T 4.8200 8.8227 120.1526 62.7987 70.4513 174.1362 55 V 5.0632 9.2158 124.5416 61.4951 36.1295 173.6306 56 S 5.1362 8.7707 116.9086 56.3295 66.6956 173.2950 57 V 4.2950 8.2689 122.3277 62.9833 31.7303 176.5061 58 T 4.1870 8.8535 125.8163 65.3843 69.3667 175.6603 59 K 4.5436 8.7250 118.8970 54.7351 36.4502 177.3658 60 G 3.4751 8.6024 109.0348 44.7276 0.0000 172.6902 61 T 3.9820 8.3392 112.0871 60.9571 69.3072 173.3078 62 P 4.1916 0.0000 0.0000 66.2189 31.1575 178.6017 63 E 3.9493 8.0628 115.2498 59.5271 29.5677 178.7752 64 M 4.1836 8.3774 119.2223 56.9828 32.2959 177.1859 65 R 4.0299 6.7414 116.7375 57.8700 30.6731 177.4745 66 R 3.9864 8.5820 118.5150 56.6415 29.4068 176.7824 67 Q 4.1982 7.5806 118.2530 55.6795 30.1820 175.4463 68 V 4.3215 8.3146 123.1825 61.8696 32.5147 174.2813 69 L 4.9542 8.7813 128.6443 52.9147 45.9734 174.8747 70 E 5.1325 8.4245 118.6927 55.2670 33.0244 174.4790 71 A 4.8864 8.2941 124.5905 51.2890 23.7831 175.0150 72 V 4.5938 8.1882 118.1138 60.9250 34.9572 174.8047 73 V 4.0128 8.4354 128.2076 63.2363 31.8699 176.2424 74 V 3.9921 8.9240 129.0950 64.1986 33.1454 175.6230 75 R 4.1505 7.4478 117.5463 54.6256 34.7458 174.0049 76 Q 4.9812 7.9561 117.9678 55.1502 31.5142 175.8398 77 R 4.4093 9.1624 120.3088 58.5515 30.4589 177.7157 78 K 4.2392 7.8639 118.6469 55.4332 31.8736 175.3517 79 P 4.9377 0.0000 0.0000 63.0373 32.8156 175.0344 80 I 4.9192 8.4775 113.8219 59.3521 41.6426 173.7654 81 R 4.9438 8.9472 124.7428 55.0377 31.9606 175.5145 82 R 4.7509 8.7058 125.2185 54.1366 32.0464 175.7200 83 P 4.1645 0.0000 0.0000 66.0977 31.4090 177.0716 84 D 4.5845 8.0466 114.2998 53.3270 39.3362 177.1323 85 G 4.0217 8.6569 109.8892 46.0058 0.0000 174.6504 86 T 4.1360 7.7119 116.1394 63.7827 69.5787 173.8767 87 R 5.0987 8.4130 122.8014 54.8666 32.7995 175.8926 88 V 4.5382 8.7261 121.3411 61.0601 34.8155 174.4351 89 K 5.0256 8.3699 125.1794 55.5054 35.9181 175.1812 90 F 4.7564 8.9738 120.1337 55.6505 41.7197 176.5233 91 E 4.0216 9.0265 120.3641 58.8254 29.6980 175.0785 92 D 4.7873 7.7624 115.6361 52.5675 42.9069 173.5774 93 N 5.2587 8.7277 114.7073 51.7382 41.1400 174.1547 94 A 5.2983 8.8993 124.1538 50.5547 23.2836 174.6491 95 A 5.0060 9.2197 120.9753 50.1702 23.6063 175.1931 96 V 4.4883 8.3192 119.2953 60.6326 34.4160 175.1855 97 I 4.3173 8.4037 129.1767 61.8572 37.9203 175.5597 98 V 4.8807 8.6237 126.0355 60.1667 34.9368 174.8319 99 D 5.0490 7.8790 120.9604 51.7930 41.8114 176.2731 100 E 3.9356 8.8782 117.0978 60.1942 29.3960 177.8586 101 N 4.5370 8.9632 113.4437 53.4748 38.9234 175.4224 102 E 3.8118 8.2185 116.9604 56.9134 27.3936 173.5737 103 D 5.0755 8.2345 118.4644 51.1609 41.0167 174.3318 104 P 4.3856 0.0000 0.0000 63.1419 31.4612 177.3755 105 R 3.9943 8.6366 123.0355 58.5385 30.2269 176.4571 106 G 4.0507 7.1262 106.2600 44.6625 0.0000 172.6930 107 T 4.4190 8.5604 113.6605 63.9246 70.3787 175.0174 108 E 4.8003 9.1013 120.0083 54.3791 33.8829 174.7752 109 L 5.0257 8.4913 122.7674 53.2110 43.4574 176.0001 110 K 4.2368 8.3392 123.8334 56.4067 33.0715 178.1777 111 G 3.9814 8.9474 110.8855 44.1001 0.0000 170.5959 112 P 4.8808 0.0000 0.0000 62.9388 32.4799 175.5877 113 I 4.7818 8.3630 118.8683 59.4523 42.1215 174.6857 114 A 4.7025 8.2036 126.6689 51.6196 19.1017 178.9520 115 R 3.9117 9.0357 119.2780 59.7508 29.3579 179.0607 116 E 3.9610 8.3077 118.4389 59.1138 29.4061 179.2384 117 V 3.6952 7.9522 117.7976 65.1942 31.5059 178.0360 118 A 4.0146 8.2196 121.4114 55.2657 18.1302 179.2632 119 Q 4.0804 7.2924 111.8979 57.4490 28.7268 177.2521 120 R 4.0644 7.7772 117.6310 56.9315 32.7283 175.9434 121 F 4.8710 7.7281 118.4996 54.3544 39.0488 175.6434 122 G 3.8222 8.3881 111.1257 48.2096 0.0000 172.2735 123 S 4.3838 8.0873 117.8313 60.0162 62.6966 176.7552 124 V 3.6078 7.8494 121.2973 65.6164 31.4036 177.7316 125 A 4.1137 8.1548 120.8289 55.1225 18.1463 179.9007 126 S 4.3988 8.6847 108.9040 59.1248 62.4743 174.8840 127 A 4.6924 7.5189 121.7063 51.7788 20.0988 176.9595 128 A 4.3171 8.1855 119.9127 52.2977 19.3722 178.2777 129 T 4.2014 8.5101 117.8872 65.9776 69.3660 175.1618 130 M 4.8407 7.8311 119.9287 53.4357 35.6114 174.5747 131 I 4.7265 8.3761 123.0241 59.5485 40.0722 175.5872 132 V 3.9490 8.6169 126.6727 62.9264 30.9949 175.7025 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 M 8.30 4.46 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 2 E 8.33 3.93 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 2.27 2.33 0.00 3 A 9.28 4.05 1.23 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 0.00 0.00 4 L 8.47 4.01 0.00 1.65 1.74 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.44 3.79 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 0.00 0.00 0.00 6 A 7.46 4.55 1.20 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 0.00 0.00 7 D 8.66 4.75 0.00 2.63 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 8 V 8.42 4.62 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 0.83 0.00 0.00 0.96 0.00 0.00 9 T 7.81 4.46 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 1.22 0.00 0.00 10 Q 8.72 3.87 0.00 1.87 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 11 G 8.83 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 0.00 0.00 0.00 0.00 12 L 8.16 5.10 0.00 1.67 1.48 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.87 5.13 0.00 1.86 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 2.21 2.23 0.00 14 K 8.26 4.02 0.00 1.74 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.51 7.81 15 G 8.94 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 16 S 8.20 4.35 0.00 3.81 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 17 L 8.41 5.17 0.00 1.50 1.58 0.95 0.75 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 18 I 8.89 4.74 1.99 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 1.33 1.00 0.89 0.00 0.00 19 T 8.51 4.47 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 1.20 0.00 0.00 20 C 8.71 4.76 0.00 2.97 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 21 A 8.47 4.54 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 22 D 7.67 5.32 0.00 2.80 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 23 N 8.34 5.02 0.00 2.82 2.91 0.00 0.00 5.98 7.71 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 24 T 8.33 3.95 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 1.28 0.00 0.00 25 G 8.32 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 26 A 7.46 4.80 1.23 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 0.00 0.00 27 R 9.00 4.35 0.00 1.74 1.96 0.00 3.07 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.06 5.04 0.00 2.00 1.83 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 2.25 2.28 0.00 29 L 9.12 5.15 0.00 1.52 1.48 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.81 4.94 0.00 1.76 1.64 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.65 3.97 2.20 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 0.89 0.00 0.00 0.94 0.00 0.00 32 I 8.44 4.36 1.97 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 1.22 0.96 0.91 0.00 0.00 33 S 7.75 4.64 0.00 3.75 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 34 V 8.17 4.57 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 0.94 0.00 0.00 0.81 0.00 0.00 35 H 9.34 4.16 0.00 3.15 3.36 0.00 6.16 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.49 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 0.00 0.00 0.00 37 Y 7.72 4.71 0.00 2.94 3.04 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 38 S 7.24 4.40 0.00 3.79 3.59 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 39 G 7.80 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 40 T 8.34 4.44 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 1.23 0.00 0.00 41 K 8.49 3.84 0.00 1.75 1.76 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 42 N 8.99 4.53 0.00 2.95 3.01 0.00 0.00 7.04 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 43 R 7.93 4.09 0.00 1.80 2.07 0.00 3.36 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 44 H 8.74 4.52 0.00 3.33 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.60 0.00 2.12 2.44 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 46 K 7.84 5.05 0.00 1.64 1.73 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.08 1.14 7.81 47 A 9.16 4.68 1.11 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 48 G 9.17 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 0.00 0.00 0.00 49 L 8.29 4.13 0.00 1.65 1.67 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.99 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 0.00 0.00 0.00 51 D 7.87 4.86 0.00 2.79 2.60 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 52 K 8.66 4.77 0.00 1.84 1.69 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.46 7.81 53 I 8.39 4.94 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 1.17 0.58 0.88 0.00 0.00 54 T 8.82 4.82 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 1.27 0.00 0.00 55 V 9.22 5.06 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 1.15 0.00 0.00 0.94 0.00 0.00 56 S 8.77 5.14 0.00 3.88 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 57 V 8.27 4.29 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.85 4.19 4.23 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 1.32 0.00 0.00 59 K 8.73 4.54 0.00 1.64 1.63 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.60 3.48 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 0.00 61 T 8.34 3.98 4.23 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 1.24 0.00 0.00 62 P 0.00 4.19 0.00 2.17 2.18 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 63 E 8.06 3.95 0.00 1.93 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 2.31 2.34 0.00 64 M 8.38 4.18 0.00 1.99 2.21 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 2.72 2.71 0.00 65 R 6.74 4.03 0.00 1.81 1.88 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 66 R 8.58 3.99 0.00 1.98 2.09 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.58 4.20 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.31 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.78 4.95 0.00 1.55 1.52 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.42 5.13 0.00 1.98 1.83 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 2.20 2.25 0.00 71 A 8.29 4.89 1.15 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 0.00 0.00 72 V 8.19 4.59 1.73 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 0.84 0.00 0.00 -0.26 0.00 0.00 73 V 8.44 4.01 2.20 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 0.84 0.00 0.00 0.92 0.00 0.00 74 V 8.92 3.99 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 0.79 0.00 0.00 0.95 0.00 0.00 75 R 7.45 4.15 0.00 1.47 1.21 0.00 3.21 0.00 0.00 3.56 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 76 Q 7.96 4.98 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 77 R 9.16 4.41 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 78 K 7.86 4.24 0.00 1.77 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.94 0.00 2.13 1.97 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 80 I 8.48 4.92 2.03 0.00 0.00 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 1.43 0.89 0.99 0.00 0.00 81 R 8.95 4.94 0.00 1.89 1.83 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 82 R 8.71 4.75 0.00 1.81 1.82 0.00 3.22 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 83 P 0.00 4.16 0.00 2.03 2.16 0.00 3.67 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 2.04 2.12 0.00 84 D 8.05 4.58 0.00 2.78 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 85 G 8.66 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 86 T 7.71 4.14 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 1.19 0.00 0.00 87 R 8.41 5.10 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 88 V 8.73 4.54 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 0.75 0.00 0.00 0.89 0.00 0.00 89 K 8.37 5.03 0.00 1.97 1.72 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.41 7.81 90 F 8.97 4.76 0.00 3.28 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 91 E 9.03 4.02 0.00 1.97 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 2.31 2.26 0.00 92 D 7.76 4.79 0.00 2.68 2.64 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 93 N 8.73 5.26 0.00 2.62 2.71 0.00 0.00 6.48 7.25 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 94 A 8.90 5.30 1.12 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 95 A 9.22 5.01 1.14 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 0.00 0.00 96 V 8.32 4.49 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 0.99 0.00 0.00 0.93 0.00 0.00 97 I 8.40 4.32 1.83 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 1.24 0.71 0.90 0.00 0.00 98 V 8.62 4.88 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 0.58 0.00 0.00 0.80 0.00 0.00 99 D 7.88 5.05 0.00 2.85 2.84 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 0.00 100 E 8.88 3.94 0.00 1.97 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 0.00 2.31 2.34 0.00 101 N 8.96 4.54 0.00 2.95 2.86 0.00 0.00 7.19 8.33 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 0.00 102 E 8.22 3.81 0.00 2.23 2.17 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 2.20 2.30 0.00 103 D 8.23 5.08 0.00 2.87 2.57 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 0.00 104 P 0.00 4.39 0.00 2.19 2.18 0.00 3.70 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 2.07 1.97 0.00 105 R 8.64 3.99 0.00 1.78 1.98 0.00 3.22 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.13 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 0.00 0.00 0.00 107 T 8.56 4.42 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 0.00 108 E 9.10 4.80 0.00 1.80 1.77 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 2.21 2.25 0.00 109 L 8.49 5.03 0.00 1.52 1.58 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.34 4.24 0.00 1.62 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.38 7.81 111 G 8.95 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 0.00 0.00 0.00 112 P 0.00 4.88 0.00 2.26 2.16 0.00 3.79 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 2.17 2.11 0.00 113 I 8.36 4.78 1.90 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 1.14 0.65 0.92 0.00 0.00 114 A 8.20 4.70 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 0.00 115 R 9.04 3.91 0.00 2.07 2.26 0.00 3.00 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 116 E 8.31 3.96 0.00 2.11 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 0.00 2.41 2.60 0.00 117 V 7.95 3.70 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 1.23 0.00 0.00 1.00 0.00 0.00 118 A 8.22 4.01 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 0.00 119 Q 7.29 4.08 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.78 4.06 0.00 1.12 0.66 0.00 2.85 0.00 0.00 2.84 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.29 0.00 121 F 7.73 4.87 0.00 3.14 2.89 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 0.00 122 G 8.39 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 0.00 123 S 8.09 4.38 0.00 4.07 4.18 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 0.00 124 V 7.85 3.61 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 1.05 0.00 0.00 0.90 0.00 0.00 125 A 8.15 4.11 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 0.00 126 S 8.68 4.40 0.00 4.03 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 0.00 127 A 7.52 4.69 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 0.00 128 A 8.19 4.32 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 0.00 129 T 8.51 4.20 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 1.22 0.00 0.00 130 M 7.83 4.84 0.00 1.95 1.95 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 2.58 2.54 0.00 131 I 8.38 4.73 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.95 0.00 0.00 132 V 8.62 3.95 2.17 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 0.65 0.00 0.00 0.97 0.00 0.00