NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4607 8.3049 120.3298 55.1818 33.4287 174.3140 2 E 4.0305 8.3992 118.6589 55.4076 30.3833 175.0366 3 A 4.0568 9.2515 126.2884 52.8432 19.7263 177.7758 4 L 4.0175 8.4652 121.1191 55.6824 42.0863 177.9360 5 G 3.7978 9.0402 105.4735 45.6994 0.0000 172.8227 6 A 4.5021 7.4380 116.0132 50.8981 22.0473 176.5214 7 D 4.6463 8.6953 122.4919 53.6772 42.2815 175.7116 8 V 4.5760 8.4350 123.1406 61.4663 34.0407 175.3172 9 T 4.4586 7.7264 124.5890 61.4934 68.9630 173.7188 10 Q 3.8835 8.5089 124.1375 56.3638 28.9925 177.7490 11 G 4.0993 8.9148 108.8215 45.9527 0.0000 172.6161 12 L 5.0874 8.5916 120.5419 52.9335 45.7869 175.1374 13 E 5.1637 8.9760 119.1468 54.0158 34.5845 175.2596 14 K 3.9399 8.3407 122.8770 58.4191 32.3143 177.1292 15 G 4.0282 8.8184 114.9621 44.9475 0.0000 173.6223 16 S 4.3467 8.2756 117.0056 58.3759 64.2689 173.3674 17 L 5.0350 8.4651 124.0918 53.6238 42.5983 175.5651 18 I 4.6224 8.6832 118.2091 59.2474 41.5623 174.0708 19 T 4.5564 8.4000 118.1269 62.6483 70.2771 174.5730 20 C 4.7873 8.8399 127.3126 57.4656 30.8864 173.9000 21 A 4.5293 8.5346 134.1270 49.8824 15.8512 174.4306 22 D 5.1395 7.6219 120.1982 53.0452 42.8290 176.7510 23 N 5.0522 8.5180 114.0089 53.1256 37.3043 176.7859 24 T 3.8870 8.8834 113.0981 64.3010 69.2222 174.9983 25 G 3.9538 8.3010 108.1162 45.0214 0.0000 172.4210 26 A 4.8195 7.5219 123.4688 50.7406 20.2286 176.5135 27 R 4.3106 8.6552 123.3684 57.5178 31.3725 175.5054 28 E 5.0288 7.9286 118.7898 54.5178 32.0042 173.9329 29 L 5.1609 8.8439 126.3292 52.7538 45.5859 175.1253 30 K 4.9325 8.7310 124.0646 54.3079 34.5806 175.5391 31 V 4.0301 8.6534 128.3161 63.4628 32.0011 176.3154 32 I 4.4406 8.5882 126.9751 62.2112 40.0766 175.2504 33 S 4.6070 7.5622 115.4449 57.8579 67.9224 174.2095 34 V 4.5665 8.0654 120.0367 61.1029 33.9684 174.2382 35 H 4.0946 9.0905 128.3830 58.0037 30.0077 175.0380 36 G 3.9089 8.5747 112.8557 46.1347 0.0000 172.0674 37 Y 4.7115 7.8664 120.7518 55.4513 40.1904 175.0373 38 S 4.5002 7.7225 120.7418 56.3613 66.7754 173.0244 39 G 4.0274 7.5471 112.4172 44.8740 0.0000 175.4306 40 T 4.3422 8.5285 116.7538 60.3085 69.7750 171.7090 41 K 4.1259 8.3837 126.9924 57.5037 32.6419 176.6560 42 N 4.5287 8.9516 122.0357 53.8293 37.5319 174.4669 43 R 4.1446 8.1253 119.2076 55.8018 30.7023 175.5233 44 H 4.5217 8.6985 123.1852 54.5847 29.6188 173.2547 45 P 4.7573 0.0000 0.0000 63.5464 31.8349 175.0043 46 K 5.0148 8.1294 123.3387 55.0173 34.7280 175.3584 47 A 4.6855 9.2999 124.7359 50.6943 23.0410 175.3663 48 G 4.0809 9.1463 105.2397 45.2395 0.0000 171.9985 49 L 4.1437 8.7851 120.8442 56.7185 41.7681 177.9511 50 G 4.0354 8.9309 111.5711 45.5013 0.0000 172.1716 51 D 4.9992 7.7833 119.7654 52.2315 43.3835 175.5241 52 K 4.5306 8.7265 124.7847 55.6172 33.4591 175.3303 53 I 4.9378 8.2764 120.8910 59.3951 41.1227 174.6138 54 T 4.7457 8.4371 120.1317 62.8933 70.3832 174.2414 55 V 5.0806 8.9648 124.8980 61.2868 36.2282 173.8264 56 S 5.0586 8.7535 116.5887 56.3016 66.6708 173.4793 57 V 3.9464 8.3732 123.5187 63.4546 31.5891 176.5375 58 T 4.0795 8.8144 125.9108 65.7994 69.0605 175.6120 59 K 4.5535 8.9061 119.2494 54.6171 36.2138 177.2900 60 G 3.7121 8.5767 108.9481 44.7670 0.0000 172.4067 61 T 3.9458 8.4185 112.3173 61.1918 68.9987 173.3581 62 P 4.0893 0.0000 0.0000 66.0994 31.1668 178.4227 63 E 3.7637 8.0852 115.5867 59.3179 29.5807 178.5155 64 M 4.2249 8.7611 118.9974 56.2918 32.4083 177.0049 65 R 3.8839 6.7365 117.0716 57.6107 30.6777 177.1048 66 R 3.9020 8.3174 118.0309 56.7326 29.0542 176.3594 67 Q 4.2408 7.5838 118.6710 55.3673 30.2081 175.4592 68 V 4.1123 8.4141 124.3344 62.3040 31.8867 174.1921 69 L 4.9896 8.2958 129.6427 52.7328 45.5130 174.8541 70 E 5.1258 8.5329 118.3564 55.3325 33.3656 175.1869 71 A 4.8406 8.5239 125.2956 51.1754 23.5887 174.7838 72 V 4.5582 8.1087 116.5480 61.1132 35.4961 175.2967 73 V 4.1019 8.1985 127.3473 62.8692 31.1650 176.1929 74 V 3.9312 8.9518 130.0188 64.5970 32.9823 175.8716 75 R 4.0434 7.4358 117.5140 54.3893 34.6958 174.1711 76 Q 4.9836 7.9705 118.4302 54.9283 31.8686 175.9759 77 R 4.2406 9.4050 120.4540 58.9268 30.5128 177.6735 78 K 4.2588 7.8554 118.5706 55.3230 32.7946 175.2711 79 P 5.1833 0.0000 0.0000 62.5645 32.9079 174.8988 80 I 4.8331 8.1379 112.9145 59.4498 41.7227 173.7324 81 R 5.0101 9.0780 124.6907 54.8342 31.8379 175.8928 82 R 4.5767 8.5073 125.6256 54.6880 31.2087 175.7861 83 P 4.3552 0.0000 0.0000 65.9557 31.3337 177.0798 84 D 4.5959 8.0423 114.6786 53.2958 39.5584 175.6232 85 G 4.1622 8.6857 110.0691 46.0456 0.0000 174.7481 86 T 4.0512 7.1880 115.0816 64.2417 69.6751 173.8095 87 R 5.1354 8.3726 121.5932 54.8455 33.4918 175.8881 88 V 4.4701 8.5083 120.1913 61.3742 34.8632 174.0389 89 K 5.0636 8.4661 125.6590 55.3974 36.1349 174.8992 90 F 4.7903 8.6736 119.6703 55.6370 41.4917 175.2760 91 E 4.1799 9.1034 119.5036 59.0368 29.7749 175.1288 92 D 4.7341 7.7323 115.2956 52.6425 42.4267 173.5451 93 N 5.1970 8.7625 114.5575 52.0310 41.3065 173.9834 94 A 5.2504 9.3440 124.2945 50.6904 23.3129 174.6955 95 A 5.0193 9.4313 120.6505 50.3476 23.7791 175.3644 96 V 4.4501 8.5012 119.4090 60.6966 34.4360 175.0668 97 I 4.1540 8.0567 127.7908 62.3650 38.0408 175.4943 98 V 4.8525 8.8877 125.2549 60.1939 35.0967 174.2804 99 D 5.0789 7.8194 119.2920 51.5682 41.8195 176.3040 100 E 3.9112 8.8398 117.1802 60.0746 29.3755 177.8118 101 N 4.5883 9.1793 113.9728 53.1699 38.8534 174.9619 102 E 3.7057 8.2080 116.9403 57.3597 26.8759 173.6023 103 D 4.9321 8.3667 118.1646 50.7777 42.0963 174.1553 104 P 4.4791 0.0000 0.0000 63.2202 31.1855 177.1200 105 R 3.5063 8.4594 123.6140 58.3450 30.2348 176.2709 106 G 4.0794 7.1576 105.9543 44.6654 0.0000 172.5402 107 T 4.3730 8.7044 113.6397 64.3270 70.1810 175.0266 108 E 4.7519 9.2862 120.7498 54.3332 33.0998 175.3314 109 L 4.9006 8.3668 123.6565 52.7338 42.6312 176.4677 110 K 4.1431 8.5944 124.2210 56.8260 33.1030 178.2032 111 G 3.9456 8.8581 111.5465 44.0543 0.0000 170.7556 112 P 4.8518 0.0000 0.0000 62.3472 33.0139 175.3943 113 I 4.6410 8.0414 117.6420 59.8365 41.2622 174.8584 114 A 4.7870 8.3310 126.5883 51.9571 19.3287 179.1044 115 R 3.9496 8.8284 117.3922 59.5540 29.4915 178.8765 116 E 4.0824 8.4058 118.9517 59.3686 29.2778 179.4826 117 V 3.6467 7.6256 116.6339 65.8583 31.4499 177.2927 118 A 3.9821 8.4069 121.0112 55.3735 18.0192 179.3070 119 Q 3.8933 7.3368 115.2508 57.7525 29.3942 178.2032 120 R 4.1089 8.0302 117.5024 56.7952 32.7329 176.0725 121 F 4.9796 7.7470 117.2547 54.1675 38.4076 175.2539 122 G 3.8297 7.8410 108.7650 48.5362 0.0000 171.8433 123 S 3.9921 8.1334 117.4068 59.8324 62.8658 177.1976 124 V 3.5773 7.7157 121.0764 65.7137 31.5152 177.5069 125 A 4.0430 8.3367 121.1553 55.2276 18.3845 179.5494 126 S 4.3122 8.8513 109.6362 59.4818 62.5487 174.9398 127 A 4.6467 7.5929 123.3239 51.9071 20.2698 177.1529 128 A 4.2222 8.2364 119.3692 52.4029 19.1461 177.9176 129 T 4.2125 8.5034 117.8673 65.8688 69.1162 175.1185 130 M 4.8162 7.8448 119.9519 53.4276 35.4058 174.4856 131 I 4.8001 8.3605 123.4335 59.4162 40.0359 175.6244 132 V 3.9068 8.5275 126.6459 63.0023 31.0028 175.7624 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 1.98 2.12 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 2.61 0.00 2 E 8.40 4.03 0.00 1.95 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 9.25 4.06 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 4.02 0.00 1.64 1.73 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.04 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.44 4.50 1.19 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 7 D 8.70 4.65 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 8.43 4.58 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 0.82 0.00 0.00 1.00 0.00 0.00 9 T 7.73 4.46 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 10 Q 8.51 3.88 0.00 1.86 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 11 G 8.91 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 12 L 8.59 5.09 0.00 1.58 1.50 0.89 0.79 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 13 E 8.98 5.16 0.00 1.85 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 2.22 2.24 0.00 14 K 8.34 3.94 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.55 7.81 15 G 8.82 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 0.00 0.00 0.00 16 S 8.28 4.35 0.00 3.77 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 8.47 5.04 0.00 1.51 1.61 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.68 4.62 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 0.82 0.89 0.00 0.00 19 T 8.40 4.56 4.35 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 1.20 0.00 0.00 20 C 8.84 4.79 0.00 2.96 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 21 A 8.53 4.53 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 22 D 7.62 5.14 0.00 2.66 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 23 N 8.52 5.05 0.00 2.73 2.92 0.00 0.00 6.00 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 8.88 3.89 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 8.30 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 7.52 4.82 1.22 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 0.00 0.00 0.00 27 R 8.66 4.31 0.00 1.75 1.93 0.00 3.09 0.00 0.00 3.09 7.25 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 7.93 5.03 0.00 2.02 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 2.28 2.46 0.00 29 L 8.84 5.16 0.00 1.57 1.48 0.89 0.89 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 30 K 8.73 4.93 0.00 1.78 1.78 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.65 4.03 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 0.86 0.00 0.00 0.95 0.00 0.00 32 I 8.59 4.44 1.98 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 1.22 0.96 0.91 0.00 0.00 33 S 7.56 4.61 0.00 3.74 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 34 V 8.07 4.57 2.11 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 0.95 0.00 0.00 0.88 0.00 0.00 35 H 9.09 4.09 0.00 3.23 3.33 0.00 6.13 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 8.57 3.91 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 0.00 0.00 0.00 37 Y 7.87 4.71 0.00 2.93 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 38 S 7.72 4.50 0.00 3.78 3.62 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 39 G 7.55 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 0.00 0.00 0.00 40 T 8.53 4.34 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 1.23 0.00 0.00 41 K 8.38 4.13 0.00 1.76 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 8.95 4.53 0.00 2.94 3.00 0.00 0.00 7.05 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 8.13 4.14 0.00 1.76 2.07 0.00 3.36 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.70 4.52 0.00 3.37 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.89 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 4.76 0.00 2.21 2.46 0.00 3.73 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 2.12 2.05 0.00 46 K 8.13 5.01 0.00 1.65 1.76 0.00 1.47 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.08 1.07 7.81 47 A 9.30 4.69 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 48 G 9.15 4.08 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 0.00 49 L 8.79 4.14 0.00 1.62 1.67 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.93 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 0.00 0.00 0.00 51 D 7.78 5.00 0.00 2.71 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 52 K 8.73 4.53 0.00 1.79 1.68 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.62 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.48 7.81 53 I 8.28 4.94 2.00 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 1.18 0.74 0.92 0.00 0.00 54 T 8.44 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 1.21 0.00 0.00 55 V 8.96 5.08 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 1.07 0.00 0.00 0.95 0.00 0.00 56 S 8.75 5.06 0.00 3.88 3.87 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 57 V 8.37 3.95 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 0.95 0.00 0.00 0.94 0.00 0.00 58 T 8.81 4.08 4.37 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 1.28 0.00 0.00 59 K 8.91 4.55 0.00 1.74 1.64 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.49 7.81 60 G 8.58 3.71 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 0.00 61 T 8.42 3.95 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 4.09 0.00 2.17 2.17 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 2.22 0.00 63 E 8.09 3.76 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 8.76 4.22 0.00 1.97 2.18 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 2.58 2.70 0.00 65 R 6.74 3.88 0.00 1.85 1.87 0.00 3.28 0.00 0.00 3.22 7.36 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 8.32 3.90 0.00 2.00 2.06 0.00 3.15 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.58 4.24 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 68 V 8.41 4.11 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 0.78 0.00 0.00 0.92 0.00 0.00 69 L 8.30 4.99 0.00 1.62 1.54 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.53 5.13 0.00 1.97 1.69 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 2.19 2.24 0.00 71 A 8.52 4.84 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 8.11 4.56 1.82 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 0.97 0.00 0.00 -0.04 0.00 0.00 73 V 8.20 4.10 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 0.81 0.00 0.00 0.96 0.00 0.00 74 V 8.95 3.93 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 0.89 0.00 0.00 75 R 7.44 4.04 0.00 1.45 1.15 0.00 3.12 0.00 0.00 3.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 76 Q 7.97 4.98 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.66 0.00 77 R 9.40 4.24 0.00 1.82 2.06 0.00 3.18 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 78 K 7.86 4.26 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 5.18 0.00 2.12 1.98 0.00 3.89 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 2.12 1.95 0.00 80 I 8.14 4.83 2.01 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 1.55 0.91 0.99 0.00 0.00 81 R 9.08 5.01 0.00 1.85 1.83 0.00 3.08 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 82 R 8.51 4.58 0.00 1.95 1.82 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 83 P 0.00 4.36 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 84 D 8.04 4.60 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 8.69 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 0.00 0.00 0.00 0.00 86 T 7.19 4.05 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 1.19 0.00 0.00 87 R 8.37 5.14 0.00 1.65 1.82 0.00 3.33 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 88 V 8.51 4.47 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 0.66 0.00 0.00 0.88 0.00 0.00 89 K 8.47 5.06 0.00 1.97 1.72 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.67 4.79 0.00 3.18 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 91 E 9.10 4.18 0.00 1.98 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 2.27 0.00 92 D 7.73 4.73 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 8.76 5.20 0.00 2.62 2.70 0.00 0.00 6.50 7.16 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 94 A 9.34 5.25 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 9.43 5.02 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 96 V 8.50 4.45 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 1.01 0.00 0.00 0.94 0.00 0.00 97 I 8.06 4.15 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.90 0.00 0.00 98 V 8.89 4.85 1.91 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 0.59 0.00 0.00 0.74 0.00 0.00 99 D 7.82 5.08 0.00 2.92 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 0.00 100 E 8.84 3.91 0.00 1.97 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 2.31 2.34 0.00 101 N 9.18 4.59 0.00 2.96 2.86 0.00 0.00 7.17 5.12 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 0.00 102 E 8.21 3.71 0.00 2.19 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 0.00 2.17 2.28 0.00 103 D 8.37 4.93 0.00 2.86 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 4.48 0.00 2.19 2.22 0.00 3.69 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 2.08 2.11 0.00 105 R 8.46 3.51 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.16 4.08 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 0.00 107 T 8.70 4.37 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 9.29 4.75 0.00 1.83 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 2.20 2.24 0.00 109 L 8.37 4.90 0.00 1.52 1.61 0.99 1.06 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 0.00 110 K 8.59 4.14 0.00 1.64 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.44 7.81 111 G 8.86 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 0.00 112 P 0.00 4.85 0.00 2.27 2.19 0.00 3.44 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 113 I 8.04 4.64 1.90 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 1.25 0.77 0.93 0.00 0.00 114 A 8.33 4.79 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 0.00 115 R 8.83 3.95 0.00 2.07 2.23 0.00 3.01 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 116 E 8.41 4.08 0.00 2.10 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 2.42 2.61 0.00 117 V 7.63 3.65 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 1.29 0.00 0.00 1.04 0.00 0.00 118 A 8.41 3.98 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 7.34 3.89 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 120 R 8.03 4.11 0.00 1.08 0.66 0.00 2.81 0.00 0.00 2.82 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 0.00 121 F 7.75 4.98 0.00 3.08 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 0.00 122 G 7.84 3.83 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 0.00 123 S 8.13 3.99 0.00 4.07 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 0.00 124 V 7.72 3.58 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 0.92 0.00 0.00 125 A 8.34 4.04 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 0.00 126 S 8.85 4.31 0.00 4.01 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 0.00 127 A 7.59 4.65 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.22 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 0.00 129 T 8.50 4.21 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 0.00 130 M 7.84 4.82 0.00 1.96 1.96 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 8.36 4.80 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 0.94 0.00 0.00 132 V 8.53 3.91 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 0.64 0.00 0.00 0.99 0.00 0.00