NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9675 8.3549 109.7383 45.4099 0.0000 172.7423 2 L 4.2056 8.0396 118.4839 51.4545 42.7790 175.9247 3 S 4.4685 9.8086 118.8735 57.9513 66.0257 175.0485 4 D 4.6410 8.7453 121.8477 57.5770 40.5619 179.1373 5 G 3.7680 8.1912 105.5849 48.0277 0.0000 175.2311 6 E 3.9110 8.2753 121.2347 58.8864 29.4390 179.4241 7 W 4.3939 8.2958 119.2218 60.0073 29.1182 178.3504 8 Q 4.0694 8.4747 119.4211 59.1649 28.4169 178.2931 9 Q 4.0243 8.3013 119.1284 58.9696 28.7829 178.6907 10 V 3.6926 8.0517 119.4404 66.4371 31.3491 178.0566 11 L 4.2743 8.1364 116.4972 57.0242 41.6373 178.7475 12 N 4.4885 8.3152 117.7024 56.6869 38.9927 176.8456 13 V 3.5775 8.2342 120.1109 65.9816 31.5669 177.7381 14 W 4.1892 8.6681 128.0291 60.1164 30.2875 177.8159 15 G 3.7824 7.8414 106.0687 47.8978 0.0000 175.5568 16 K 3.7944 7.6595 119.4995 59.1268 32.3714 179.2470 17 V 2.8273 6.9021 117.6923 65.7626 31.1138 177.7910 18 E 3.8274 7.4648 116.5133 58.8970 29.2732 178.8225 19 A 4.1793 7.3736 120.0670 53.8421 20.0523 177.6836 20 D 4.6600 7.6955 116.1857 52.3571 42.9900 175.2583 21 I 3.5760 7.8091 123.9178 63.8645 38.5458 176.6188 22 A 4.0747 8.0015 121.2799 54.9794 18.2525 179.7409 23 G 3.7320 8.2408 105.4859 47.7958 0.0000 175.5992 24 H 4.1087 8.3103 119.4448 58.2813 28.6467 178.0741 25 G 3.5452 8.3324 107.7029 47.8241 0.0000 175.0740 26 Q 3.8396 8.2229 123.1319 59.0606 28.9141 178.6953 27 E 3.9056 8.0909 119.1445 59.2055 29.4257 179.5327 28 V 3.5132 7.9390 118.4675 66.0817 31.5427 178.1406 29 L 3.4252 7.8081 118.6573 57.5537 41.2491 179.4726 30 I 3.5448 7.8290 120.1395 64.3237 37.0422 178.3958 31 R 3.7863 8.1053 119.6951 59.1997 29.9096 178.2760 32 L 3.9673 7.8240 120.0507 58.3563 41.6376 179.0642 33 F 4.5708 8.1918 118.2760 60.7231 38.5941 177.9460 34 T 4.0273 8.1586 109.0590 64.8744 68.8453 176.8740 35 G 3.6166 7.9467 107.4742 46.0188 0.0000 173.5414 36 H 4.7710 8.0807 117.5607 52.1968 29.2810 172.0454 37 P 4.5085 0.0000 0.0000 64.4468 31.2816 177.5274 38 E 4.0724 8.3368 116.5049 59.5982 29.2040 179.2628 39 T 3.7918 8.2745 111.3878 64.4903 68.8132 176.1501 40 L 3.4531 7.7528 123.1950 58.0709 41.7515 178.8551 41 E 4.0579 7.8031 116.7706 58.7714 29.4302 178.8461 42 K 4.4474 8.1162 117.4347 56.9045 32.6008 176.7115 43 F 4.6463 8.2028 119.0340 55.4082 39.1030 175.8456 44 D 4.4316 8.6987 127.0669 57.0269 40.7677 178.4644 45 K 4.0918 7.8365 115.9594 58.1544 33.1279 177.1615 46 F 5.0627 7.8097 117.5212 56.8405 40.2343 177.0599 47 K 4.0292 8.1591 120.5277 59.7409 32.4664 177.9994 48 H 4.2414 8.1383 114.0661 57.6882 28.6583 175.3714 49 L 4.1132 7.3432 119.9543 54.5900 40.0392 176.5466 50 K 4.2802 9.1147 124.5111 57.2711 33.0486 177.9880 51 T 4.7320 7.5867 108.4285 58.9177 73.1782 174.2097 52 E 3.9285 8.7269 121.7466 59.1851 29.6008 178.9898 53 A 3.9550 7.9449 120.5457 55.2689 18.3130 179.2222 54 E 3.9419 7.9427 115.5973 59.7021 29.7849 179.2275 55 M 4.1350 7.9922 118.6296 58.4664 31.8925 178.7698 56 K 3.8934 8.2843 118.2639 59.1070 32.4343 177.7667 57 A 4.4668 7.7893 118.4018 51.5218 19.0115 176.9641 58 S 4.3771 7.5967 114.0767 57.3991 62.6173 174.7263 59 E 4.0672 8.7951 128.5328 59.2369 29.2439 178.6160 60 D 4.4283 8.1501 117.9746 56.9538 41.3142 177.8325 61 L 3.6813 8.1225 121.2460 57.7622 41.9955 178.8550 62 K 3.8548 7.8298 119.7224 59.2132 32.1611 178.4466 63 K 3.8775 8.3363 120.2041 60.0715 32.1205 177.9620 64 H 4.3410 8.8717 118.8195 59.3242 29.6878 177.1979 65 G 3.6400 8.3065 107.5813 48.1798 0.0000 175.6089 66 T 3.8745 8.0457 118.4038 66.2719 68.4984 176.7396 67 V 3.5979 7.7503 119.9339 66.0451 31.6051 177.8384 68 V 3.6130 8.0707 118.2291 66.5057 31.3309 178.0905 69 L 4.2955 8.2692 118.3157 57.8337 41.4956 179.6661 70 T 4.0515 8.2312 115.9330 66.4384 68.3370 176.5538 71 A 3.9996 8.1465 122.7670 55.0562 18.4477 179.4095 72 L 3.6892 8.0764 119.0347 58.1411 42.1139 179.3877 73 G 3.0692 8.5220 106.2046 47.3709 0.0000 175.7755 74 G 3.6196 7.8169 107.0949 47.6067 0.0000 175.5734 75 I 3.8395 7.5195 122.3375 64.0788 37.1157 178.4277 76 L 3.9618 7.8765 120.1279 57.8400 41.2269 179.6239 77 K 3.9580 7.6958 116.1886 58.1607 32.2826 178.6923 78 K 3.9403 7.8627 118.5458 55.9579 32.6114 176.5389 79 K 2.0000 8.2873 118.2514 56.3275 29.6660 176.0099 80 G 3.9026 7.7960 106.1944 45.8059 0.0000 173.7769 81 H 4.5453 7.3295 119.1535 55.4004 27.5871 174.9641 82 H 5.5116 7.3179 110.9410 54.3734 29.7467 175.8946 83 E 3.8996 8.6517 122.2544 60.2480 28.9462 178.7774 84 A 4.0024 7.9276 118.3637 55.2188 18.8151 178.9868 85 E 4.0924 8.0853 116.6386 59.2282 29.6626 179.0334 86 L 3.9521 8.5762 120.6836 57.6478 42.1950 178.3306 87 K 3.8114 8.2925 120.3884 59.3958 31.9674 176.8154 88 P 4.2685 0.0000 0.0000 65.6192 31.2347 178.3304 89 L 3.9960 7.4647 116.1496 57.5934 41.5808 178.9509 90 A 4.0565 8.2313 121.0405 55.6739 18.2553 179.8215 91 Q 3.9392 8.3270 116.6336 59.0252 28.6997 179.0771 92 S 4.1081 8.4628 115.7147 61.6718 63.0308 176.3051 93 H 4.1300 8.5692 119.6720 58.1949 27.3585 177.7172 94 A 2.5800 7.9332 122.6624 54.8263 17.9732 179.7011 95 T 3.9651 7.6255 112.8164 65.5286 68.8789 176.7782 96 K 4.0546 7.4369 119.5257 59.1098 32.9225 177.8225 97 H 4.3627 7.9829 114.4448 55.3768 30.0818 175.3210 98 K 3.4822 6.7960 119.6844 57.2886 29.5047 176.5023 99 I 4.3208 7.9022 118.9613 58.6726 37.8666 174.9514 100 P 4.5010 0.0000 0.0000 62.3720 31.9050 177.3685 101 I 3.6153 8.6031 119.5843 64.1486 37.6707 177.7856 102 K 3.5605 8.0596 120.0943 60.0167 31.6753 177.9509 103 Y 4.1126 8.1233 116.8943 60.7160 37.8022 178.0433 104 L 4.1627 7.8635 119.8242 57.4143 41.7556 178.8507 105 E 3.9365 8.1065 119.4388 59.3287 29.5496 178.5724 106 F 4.4887 8.0668 118.0310 61.1275 39.0751 177.7458 107 I 3.8368 8.3106 117.8318 63.8348 37.8653 178.0669 108 S 4.2302 8.2986 116.4256 61.7390 62.6623 176.3304 109 D 4.4497 8.4364 121.2747 57.3665 40.5796 178.5901 110 A 4.0478 8.4102 121.5102 55.3138 18.3005 179.7431 111 I 3.6812 7.9798 118.1380 64.6489 37.3335 178.7378 112 I 3.8866 7.7737 120.2268 64.5573 36.8543 177.9636 113 H 4.1538 8.5304 119.1406 59.3782 29.7755 177.3366 114 V 3.5232 8.2425 120.3917 65.9828 31.3489 177.8265 115 L 3.8104 7.9542 118.5770 58.1956 40.9430 179.2108 116 H 4.3315 8.0826 115.6516 59.0378 28.4204 177.8881 117 S 4.0881 7.9475 114.0660 61.2358 62.3576 175.9304 118 K 4.0903 8.2298 119.7681 57.8908 33.0375 176.7804 119 H 4.9603 8.0495 116.5619 53.8112 29.5766 171.9140 120 P 4.5943 0.0000 0.0000 63.5928 31.9347 177.4457 121 G 3.9786 9.1288 110.2880 45.7454 0.0000 173.0255 122 D 4.9334 8.4278 117.9027 53.6631 41.5422 175.9492 123 F 4.9586 7.9466 120.0616 55.1170 39.5341 174.9683 124 G 3.8241 8.1512 112.9193 43.2403 0.0000 170.8232 125 A 3.8875 8.4559 122.1120 55.1443 18.1454 179.7791 126 D 4.1944 7.9612 116.6733 56.5454 39.5801 178.3266 127 A 4.0343 7.8862 122.1599 54.7619 18.3307 179.1380 128 Q 3.5526 7.8322 118.3116 59.0855 29.0760 178.5355 129 G 3.6381 8.0100 106.4687 47.8391 0.0000 175.4571 130 A 3.8373 8.1259 123.2764 55.0872 18.4350 179.2495 131 M 4.0172 8.4452 117.1538 59.2107 32.1630 178.5860 132 T 3.8936 8.2322 115.9020 66.6255 68.6252 176.6576 133 K 3.9852 8.0625 120.1229 59.5495 32.0540 179.2592 134 A 3.8297 7.9589 120.8382 55.0705 18.2054 179.7453 135 L 4.0667 8.2174 117.7474 57.9158 41.6344 179.5606 136 E 3.9845 8.5560 118.9381 59.2000 29.3278 179.0298 137 L 3.9549 8.1244 120.4377 58.2197 42.1799 178.4174 138 F 4.1235 8.3120 120.4285 61.5652 39.1676 176.7390 139 R 3.5793 8.4148 118.1336 59.7013 29.8737 178.0251 140 N 4.2496 8.7099 116.8699 56.7091 38.7961 176.6380 141 D 4.3594 8.3184 120.6223 57.1173 40.7988 178.7878 142 I 3.4213 7.5495 120.2285 64.1715 36.9641 178.1974 143 A 3.7364 8.0250 121.6998 54.9883 18.1274 179.4875 144 A 3.9285 8.0049 119.1798 55.3910 18.4643 180.0836 145 K 4.0200 7.7389 117.0980 59.7159 32.0255 179.2024 146 Y 4.3023 8.4884 117.4962 60.9920 37.7387 178.5990 147 K 3.9364 8.4125 120.6246 59.5123 32.1152 178.1229 148 E 3.9229 7.9959 118.2432 59.5376 29.6192 178.4164 149 L 4.3045 7.8968 115.9537 54.5305 41.9515 177.2243 150 G 3.9046 7.9379 106.9583 46.3162 0.0000 173.1984 151 F 4.5275 8.2744 121.8098 56.6767 40.3277 175.5785 152 Q 3.8726 7.4530 125.3084 55.8545 28.9602 175.3302 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 G 8.35 3.97 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 0.00 0.00 0.00 2 L 8.04 4.21 0.00 0.34 0.70 0.48 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.81 4.47 0.00 4.01 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 4 D 8.75 4.64 0.00 2.77 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 5 G 8.19 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 0.00 0.00 0.00 6 E 8.28 3.91 0.00 2.03 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 0.00 2.23 2.28 0.00 7 W 8.30 4.39 0.00 3.51 3.18 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 8 Q 8.47 4.07 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.30 4.02 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 10 V 8.05 3.69 2.45 0.00 0.00 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 0.00 0.00 0.85 0.00 0.00 11 L 8.14 4.27 0.00 1.77 1.81 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.32 4.49 0.00 2.93 3.01 0.00 0.00 6.64 7.30 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 13 V 8.23 3.58 2.36 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 0.81 0.00 0.00 1.17 0.00 0.00 14 W 8.67 4.19 0.00 3.63 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 15 G 7.84 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 16 K 7.66 3.79 0.00 1.55 1.48 0.00 1.47 0.00 0.00 1.03 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.34 7.81 17 V 6.90 2.83 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 0.00 0.00 0.09 0.00 0.00 0.20 0.00 0.00 18 E 7.46 3.83 0.00 1.98 1.94 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 2.23 2.18 0.00 19 A 7.37 4.18 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 20 D 7.70 4.66 0.00 2.71 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 0.00 0.00 0.00 0.00 21 I 7.81 3.58 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.89 0.00 0.00 22 A 8.00 4.07 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 23 G 8.24 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 24 H 8.31 4.11 0.00 3.08 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.33 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 3.84 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.09 3.91 0.00 1.97 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 0.00 2.25 2.42 0.00 28 V 7.94 3.51 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 1.01 0.00 0.00 0.95 0.00 0.00 29 L 7.81 3.43 0.00 1.41 0.64 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.83 3.54 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.86 0.00 0.00 31 R 8.11 3.79 0.00 1.94 2.10 0.00 3.03 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 L 7.82 3.97 0.00 1.81 1.54 1.09 1.01 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 33 F 8.19 4.57 0.00 2.98 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 34 T 8.16 4.03 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 1.23 0.00 0.00 35 G 7.95 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 0.00 0.00 0.00 36 H 8.08 4.77 0.00 3.08 2.86 0.00 5.63 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 37 P 0.00 4.51 0.00 2.14 2.09 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.34 4.07 0.00 2.29 2.31 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 2.25 2.58 0.00 39 T 8.27 3.79 4.45 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 7.75 3.45 0.00 1.39 1.70 -0.21 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.80 4.06 0.00 2.24 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 2.38 2.54 0.00 42 K 8.12 4.45 0.00 1.89 1.75 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.77 2.00 7.81 43 F 8.20 4.65 0.00 3.23 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 44 D 8.70 4.43 0.00 2.64 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 45 K 7.84 4.09 0.00 1.58 1.73 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.83 0.21 7.81 46 F 7.81 5.06 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 47 K 8.16 4.03 0.00 1.87 1.97 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.46 7.81 48 H 8.14 4.24 0.00 3.28 3.51 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.34 4.11 0.00 1.65 1.62 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.11 4.28 0.00 1.84 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.51 7.81 51 T 7.59 4.73 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 1.21 0.00 0.00 52 E 8.73 3.93 0.00 2.04 1.97 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 2.35 2.36 0.00 53 A 7.94 3.95 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 54 E 7.94 3.94 0.00 2.14 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 0.00 2.37 2.36 0.00 55 M 7.99 4.13 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 56 K 8.28 3.89 0.00 1.77 1.93 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 57 A 7.79 4.47 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 58 S 7.60 4.38 0.00 4.03 3.89 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 59 E 8.80 4.07 0.00 2.06 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 2.42 2.32 0.00 60 D 8.15 4.43 0.00 2.91 2.92 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 61 L 8.12 3.68 0.00 1.37 1.64 0.70 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.83 3.85 0.00 1.79 1.97 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 63 K 8.34 3.88 0.00 2.01 2.13 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 64 H 8.87 4.34 0.00 3.65 3.69 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.31 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 66 T 8.05 3.87 4.44 0.00 0.00 0.00 0.00 0.00 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 67 V 7.75 3.60 2.23 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 1.06 0.00 0.00 1.00 0.00 0.00 68 V 8.07 3.61 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 1.05 0.00 0.00 0.95 0.00 0.00 69 L 8.27 4.30 0.00 1.79 1.86 0.82 0.75 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 70 T 8.23 4.05 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 71 A 8.15 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.69 0.00 1.61 1.80 0.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 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 0.00 0.00 0.00 74 G 7.82 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 0.00 0.00 0.00 75 I 7.52 3.84 1.89 0.00 0.00 1.00 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 0.67 0.98 0.00 0.00 76 L 7.88 3.96 0.00 1.17 1.50 0.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.70 3.96 0.00 1.61 1.77 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 78 K 7.86 3.94 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.73 7.81 79 K 8.29 2.00 0.00 1.17 0.74 0.00 1.37 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.51 1.02 7.81 80 G 7.80 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 81 H 7.33 4.55 0.00 3.15 3.22 0.00 5.80 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 82 H 7.32 5.51 0.00 3.28 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.65 3.90 0.00 2.12 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 2.40 2.48 0.00 84 A 7.93 4.00 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 85 E 8.09 4.09 0.00 2.23 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 2.39 2.42 0.00 86 L 8.58 3.95 0.00 1.65 1.70 0.68 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.29 3.81 0.00 2.06 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.27 0.00 2.33 2.30 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 89 L 7.46 4.00 0.00 1.99 1.76 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.23 4.06 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 91 Q 8.33 3.94 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 92 S 8.46 4.11 0.00 3.95 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 93 H 8.57 4.13 0.00 3.50 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.93 2.58 0.41 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 95 T 7.63 3.97 4.14 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 1.11 0.00 0.00 96 K 7.44 4.05 0.00 1.55 1.52 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.40 7.81 97 H 7.98 4.36 0.00 2.99 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.80 3.48 0.00 2.10 1.99 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 99 I 7.90 4.32 2.09 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 1.52 0.95 1.18 0.00 0.00 100 P 0.00 4.50 0.00 1.86 1.87 0.00 2.96 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.39 0.00 101 I 8.60 3.62 1.87 0.00 0.00 0.49 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 1.08 0.89 0.00 0.00 102 K 8.06 3.56 0.00 1.73 1.60 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 0.55 7.81 103 Y 8.12 4.11 0.00 3.18 3.11 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 0.00 104 L 7.86 4.16 0.00 1.81 1.76 0.70 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.11 3.94 0.00 2.01 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 2.41 2.40 0.00 106 F 8.07 4.49 0.00 3.29 2.86 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 0.00 0.00 0.00 107 I 8.31 3.84 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.41 1.15 0.00 0.00 108 S 8.30 4.23 0.00 4.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.45 0.00 3.02 2.82 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 0.00 110 A 8.41 4.05 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 0.00 111 I 7.98 3.68 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 1.58 0.73 0.98 0.00 0.00 112 I 7.77 3.89 2.14 0.00 0.00 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 1.72 1.55 1.15 0.00 0.00 113 H 8.53 4.15 0.00 3.31 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.24 3.52 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 0.88 0.00 0.00 1.00 0.00 0.00 115 L 7.95 3.81 0.00 1.25 0.54 0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.08 4.33 0.00 3.42 3.38 0.00 5.62 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 0.00 117 S 7.95 4.09 0.00 3.73 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 0.00 118 K 8.23 4.09 0.00 1.50 1.46 0.00 1.64 0.00 0.00 1.26 0.00 0.00 2.44 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.28 1.45 7.81 119 H 8.05 4.96 0.00 3.21 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.59 0.00 2.19 2.08 0.00 3.47 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.13 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 0.00 122 D 8.43 4.93 0.00 2.62 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 0.00 123 F 7.95 4.96 0.00 2.75 2.80 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 0.00 124 G 8.15 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 0.00 125 A 8.46 3.89 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 0.00 126 D 7.96 4.19 0.00 2.93 2.91 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 0.00 127 A 7.89 4.03 1.51 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 0.00 0.00 128 Q 7.83 3.55 0.00 1.23 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 129 G 8.01 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 0.00 130 A 8.13 3.84 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 0.00 131 M 8.45 4.02 0.00 2.39 2.32 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.80 0.00 132 T 8.23 3.89 4.40 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 1.23 0.00 0.00 133 K 8.06 3.99 0.00 1.80 1.66 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 7.96 3.83 1.28 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 0.00 0.00 135 L 8.22 4.07 0.00 1.90 1.82 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.56 3.98 0.00 2.14 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 2.35 2.52 0.00 137 L 8.12 3.95 0.00 1.88 1.96 0.99 0.99 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 0.00 138 F 8.31 4.12 0.00 3.11 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 0.00 139 R 8.41 3.58 0.00 2.11 2.07 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 140 N 8.71 4.25 0.00 2.94 2.78 0.00 0.00 7.30 9.15 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 0.00 141 D 8.32 4.36 0.00 2.74 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 0.00 142 I 7.55 3.42 1.46 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.22 0.12 0.00 0.00 143 A 8.03 3.74 1.28 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 0.00 0.00 144 A 8.00 3.93 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 0.00 145 K 7.74 4.02 0.00 1.92 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.61 7.81 146 Y 8.49 4.30 0.00 3.13 3.10 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 0.00 147 K 8.41 3.94 0.00 1.85 2.00 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 8.00 3.92 0.00 2.04 2.26 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 2.35 2.39 0.00 149 L 7.90 4.30 0.00 1.84 1.69 0.88 0.98 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 0.00 150 G 7.94 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 0.00 151 F 8.27 4.53 0.00 2.71 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 0.00 152 Q 7.45 3.87 0.00 1.73 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00