NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5273 8.2493 122.4733 52.3365 20.1615 176.8183 2 T 3.9895 7.7062 105.1615 61.1600 70.4100 171.1612 3 K 5.1476 9.0378 123.7343 54.8519 37.2142 176.0290 4 A 5.3724 9.0148 123.4852 50.6569 23.3569 175.1907 5 V 5.0844 8.7453 117.4175 60.9069 35.5466 173.3331 6 C 5.0200 9.0019 121.4516 58.0750 35.7144 172.5518 7 V 4.6548 8.4536 125.6497 61.3394 33.3151 174.0292 8 L 4.9802 9.0810 128.8740 53.7757 43.3685 176.0746 9 K 4.8092 9.0929 122.0747 55.7951 37.3610 175.8228 10 G 4.1542 7.8246 107.2691 46.6516 0.0000 172.4910 11 D 4.4722 8.8102 118.2161 56.2442 41.5055 176.9061 12 G 4.0276 7.6481 107.5027 44.0196 0.0000 171.4007 13 P 4.4566 0.0000 0.0000 63.1866 31.8021 176.0257 14 V 4.3904 7.7963 120.5391 62.6826 31.9275 174.9977 15 Q 4.8260 8.1729 124.6660 55.3052 32.2058 173.5106 16 G 4.3729 8.1878 107.2241 46.3302 0.0000 171.7662 17 I 5.1352 7.8215 120.0123 59.3871 40.6401 175.1419 18 I 4.5513 8.6681 127.4531 59.4959 40.2072 174.6076 19 N 5.0332 8.4987 124.0353 51.5252 41.4191 173.9203 20 F 5.2973 8.6683 118.7268 55.9644 43.5625 173.6313 21 E 5.2945 9.4126 122.6059 55.0855 33.6911 174.2547 22 Q 4.7757 8.6240 127.6254 55.4654 30.8169 174.5096 23 K 4.2447 9.0640 126.6605 59.2398 32.6270 177.4288 24 E 4.6035 7.8563 118.0322 54.4095 31.2822 176.5886 25 S 4.1118 8.7570 118.3818 61.4830 62.4201 176.5505 26 N 4.9654 8.0106 115.4046 52.8933 38.8610 174.3020 27 G 4.1593 7.9020 108.3711 43.1774 0.0000 171.7332 28 P 4.7105 0.0000 0.0000 62.3373 32.4749 176.3863 29 V 4.5499 9.1851 123.9113 61.3760 33.5774 174.4595 30 K 4.8720 9.5108 130.3111 55.7182 33.7882 175.2665 31 V 4.7818 9.2521 128.0708 60.8433 33.9014 174.2271 32 W 5.4541 8.0462 123.9844 54.9664 31.9856 175.3088 33 G 3.8945 7.3488 105.5679 45.9605 0.0000 171.0451 34 S 5.0859 7.6973 113.0884 56.8256 66.6974 174.2719 35 I 4.7523 8.8381 125.5526 59.4582 41.0602 174.9315 36 K 4.7421 8.9763 126.0488 55.7760 35.8018 177.2488 37 G 3.9239 8.7984 106.3962 45.7314 0.0000 173.6726 38 L 4.3843 7.6223 120.2123 53.5047 42.7690 176.3313 39 T 4.4448 8.2473 112.2096 60.8230 69.9779 174.3486 40 E 4.0993 8.7515 122.6872 57.8463 29.9903 175.3963 41 G 4.0315 8.3967 105.9491 43.7604 0.0000 172.6200 42 L 4.7644 8.1116 118.8003 54.8428 42.7111 176.7881 43 H 5.1178 9.0628 118.9475 53.6609 33.2215 173.3511 44 G 4.1278 9.1787 110.4302 46.6420 0.0000 172.3968 45 F 5.5162 8.8873 124.6721 56.8254 42.5250 173.1053 46 H 5.2855 8.9685 122.6771 54.2462 33.9390 172.9494 47 V 4.4122 8.6217 122.0352 62.4772 32.7567 175.5357 48 H 5.0017 9.4105 126.0747 54.7335 30.4778 176.2854 49 E 3.7431 9.1511 121.1868 59.0200 29.6873 176.8987 50 F 4.9389 8.0614 118.5150 54.8357 41.4313 176.9136 51 G 4.5689 8.2974 113.8823 43.8618 0.0000 174.0343 52 D 4.7939 7.7623 116.1631 52.8955 43.0873 174.6456 53 N 5.3649 8.7424 124.8777 52.2465 39.4525 176.5026 54 T 3.8847 8.6548 111.8365 63.9746 69.4540 174.6660 55 A 4.6405 8.1924 124.9392 50.8012 19.1465 175.8113 56 G 3.9843 7.5581 112.8831 45.7409 0.0000 174.1574 57 C 4.3842 8.5622 114.7912 59.3665 39.3506 175.7131 58 T 3.7932 7.5832 117.1811 66.8159 68.0426 175.7574 59 S 4.4542 7.9867 111.4155 58.9779 63.2156 174.5652 60 A 4.4766 7.6820 124.6016 52.6109 18.8073 179.0757 61 G 3.9688 7.5567 102.7914 44.1969 0.0000 170.6921 62 P 4.7700 0.0000 0.0000 61.3839 34.2159 174.7535 63 H 4.2415 8.4936 116.3482 56.0114 29.4986 175.4218 64 F 4.2299 9.2844 125.2377 58.3565 40.3455 174.7096 65 N 4.9351 8.0529 125.6872 51.6079 38.5769 172.9828 66 P 4.3436 0.0000 0.0000 63.6187 31.4373 177.4179 67 L 4.6338 7.0474 114.8988 53.7926 43.6752 176.1335 68 S 3.6395 7.7240 113.0672 59.6788 60.8207 172.3957 69 R 4.5321 7.9086 118.1390 54.7425 32.5536 176.3189 70 K 4.4061 9.2308 119.9175 56.0744 33.7442 176.4557 71 H 4.3564 8.8208 122.3931 56.6867 30.4332 175.3677 72 G 4.2463 7.9694 111.1469 45.1964 0.0000 172.2971 73 G 4.1402 8.5391 108.4327 42.7850 0.0000 172.9274 74 P 4.4124 0.0000 0.0000 65.7541 31.0387 177.7738 75 K 4.1613 7.9422 116.6507 58.4425 32.4649 177.2879 76 D 4.4924 8.0426 118.7311 54.2916 41.3037 176.2859 77 E 3.9301 8.7283 123.3657 58.6869 29.8918 176.3758 78 E 4.3177 7.8279 120.6153 54.9833 28.5605 174.6377 79 R 5.2387 7.5360 119.1078 55.8916 32.1658 174.8663 80 H 4.5357 8.9363 116.9058 55.6964 29.2515 177.3334 81 V 3.4984 8.1754 121.8950 65.5381 31.6394 177.0268 82 G 4.0055 7.9943 107.0151 45.2351 0.0000 172.6504 83 D 4.8987 7.8694 120.3402 53.8670 40.4150 176.0259 84 L 4.7956 8.3689 123.6062 53.9515 43.5102 178.8634 85 G 3.8399 8.0605 107.9080 47.0370 0.0000 173.6186 86 N 6.2577 8.6079 120.5289 50.5868 42.0544 173.8917 87 V 4.4215 8.2175 113.5587 59.8684 35.7300 174.5184 88 T 5.1242 8.1938 117.7093 61.8420 71.7862 172.8026 89 A 4.8640 8.9260 128.9843 50.5379 21.2738 177.2681 90 D 4.9974 9.0909 122.7839 52.0728 41.2335 177.1185 91 K 4.6500 8.4284 116.6149 59.3324 32.5160 177.1058 92 D 4.5680 8.2514 117.8376 53.8605 40.9314 176.4796 93 A 4.4375 8.1281 120.3824 52.8048 17.0589 177.4408 94 V 4.8682 8.1087 117.8021 61.8867 34.0786 174.6410 95 A 5.1483 8.9559 128.9315 49.2784 21.6058 174.8682 96 D 4.9269 8.6915 123.3231 53.5337 41.7729 176.5747 97 V 3.8032 8.5833 125.3954 62.3923 33.0283 175.4312 98 S 4.8532 8.4108 122.5146 57.7485 63.6647 172.7272 99 I 4.8402 9.5023 127.2742 59.1370 41.5808 174.0529 100 E 5.1526 8.7090 124.0699 54.7183 32.3870 174.1199 101 D 5.0835 9.2657 125.5742 52.6948 45.0507 175.6331 102 S 4.7794 8.9041 116.4760 58.1111 64.3109 174.9431 103 V 3.9101 8.0906 120.9962 65.1272 31.8394 176.2559 104 I 4.1786 7.9439 111.7745 60.8670 38.5277 174.2766 105 S 4.6327 8.1874 113.8626 57.9620 65.0390 173.9263 106 L 4.4711 8.7187 121.5753 53.8496 41.6447 176.4481 107 S 4.3482 7.8610 111.1340 58.8807 65.9035 175.8580 108 G 3.8916 8.3166 109.1714 44.7114 0.0000 173.8988 109 D 4.5080 8.5341 117.1820 56.8344 40.7546 177.2022 110 H 5.0849 8.0108 114.5080 55.3420 29.1270 174.2786 111 C 4.3099 8.0430 121.4169 60.0106 31.7091 173.5001 112 I 3.8902 8.1514 119.3183 60.6000 38.1030 175.8013 113 I 3.8501 7.2026 122.7840 62.8834 37.5750 176.4091 114 G 3.8293 9.6098 113.5818 45.2586 0.0000 172.9395 115 R 4.9485 7.4859 118.9039 54.8155 33.7728 174.4855 116 T 5.0282 7.7520 114.4045 62.1335 71.2392 173.6741 117 L 4.8501 8.7983 128.6070 53.8283 43.9820 175.3024 118 V 4.8845 8.9520 126.0563 60.9475 35.2708 174.1574 119 V 4.9247 8.5973 127.2499 60.5008 33.3909 175.3617 120 H 5.1986 9.2089 123.3962 54.6902 29.8548 175.3755 121 E 4.1925 8.9394 121.1023 58.9515 30.0586 176.4764 122 K 4.7491 9.0001 118.3058 53.9516 36.0951 175.5982 123 A 4.5758 8.3769 122.0780 52.2211 19.8812 175.8107 124 D 5.0880 9.8287 121.1061 52.7356 42.5161 176.1135 125 D 4.6235 9.1324 124.6840 52.9398 39.9280 176.6749 126 L 3.4604 9.7537 118.9404 55.7770 40.1515 174.5433 127 G 4.4656 9.1214 103.3172 46.3332 0.0000 175.5495 128 K 4.5601 8.0751 110.2449 56.3421 34.2477 177.7433 129 G 3.9378 7.6723 105.8664 44.4930 0.0000 175.0642 130 G 4.1108 7.6929 115.0626 44.5674 0.0000 176.1537 131 N 4.4968 7.7746 119.0118 52.1599 38.2277 175.2535 132 E 4.2550 8.5176 114.7014 58.2722 29.9724 177.7716 133 E 3.8686 8.1353 120.4108 59.3529 29.6698 178.3553 134 S 4.2987 8.4217 113.0890 60.5817 62.3931 175.1244 135 T 4.3591 8.0089 111.2727 62.2354 68.7317 175.5540 136 K 4.2769 7.7242 119.4496 57.8385 34.2169 177.2123 137 T 4.1761 8.2671 107.8456 60.3673 70.2334 175.6637 138 G 3.9040 7.8740 109.3521 44.8707 0.0000 173.4400 139 N 4.3341 8.3943 115.0911 53.9643 36.7172 176.3208 140 A 4.2752 6.8280 123.0738 53.2796 18.9764 179.1094 141 G 3.7714 7.3334 101.8099 44.0574 0.0000 172.3256 142 S 4.4295 8.0854 113.8620 58.6877 64.8263 173.4493 143 R 4.3018 8.2989 118.6724 54.6602 30.6602 176.4812 144 L 4.2808 8.6422 125.4287 57.5566 42.8992 177.3109 145 A 5.0845 7.7568 117.6933 51.4705 22.7599 174.1276 146 C 5.7148 8.3100 114.1435 55.9781 44.1520 172.5632 147 G 4.6279 7.9753 103.1226 46.2271 0.0000 172.6352 148 V 4.4387 8.3684 121.2598 61.9656 32.7104 175.6772 149 I 4.0501 8.9359 129.9080 61.1375 37.5730 175.3352 150 G 4.3781 8.5808 114.7995 43.8347 0.0000 171.8489 151 I 4.1811 8.3128 121.3864 61.3945 37.5576 175.5173 152 A 4.8102 8.6418 128.4403 49.6203 21.7601 176.4055 153 Q 4.0722 8.5627 119.3782 56.4587 29.1593 176.2182 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 A 8.25 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 2 T 7.71 3.99 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 1.23 0.00 0.00 3 K 9.04 5.15 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.60 7.81 4 A 9.01 5.37 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 5 V 8.75 5.08 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 0.68 0.00 0.00 0.96 0.00 0.00 6 C 9.00 5.02 0.00 3.07 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 7 V 8.45 4.65 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 9.08 4.98 0.00 1.60 1.58 1.04 0.50 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 9 K 9.09 4.81 0.00 1.63 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.82 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 11 D 8.81 4.47 0.00 2.68 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 12 G 7.65 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 13 P 0.00 4.46 0.00 2.19 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 14 V 7.80 4.39 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 1.06 0.00 0.00 0.93 0.00 0.00 15 Q 8.17 4.83 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 16 G 8.19 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 0.00 0.00 0.00 0.00 17 I 7.82 5.14 1.82 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 1.21 1.52 0.83 0.00 0.00 18 I 8.67 4.55 1.89 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 1.26 1.23 0.45 0.00 0.00 19 N 8.50 5.03 0.00 1.44 1.42 0.00 0.00 6.43 8.47 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 20 F 8.67 5.30 0.00 2.97 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 21 E 9.41 5.29 0.00 2.44 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 2.32 2.39 0.00 22 Q 8.62 4.78 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 23 K 9.06 4.24 0.00 1.81 1.87 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.42 7.81 24 E 7.86 4.60 0.00 2.01 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 2.34 2.23 0.00 25 S 8.76 4.11 0.00 3.83 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 26 N 8.01 4.97 0.00 2.74 2.80 0.00 0.00 6.73 7.65 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 27 G 7.90 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 28 P 0.00 4.71 0.00 1.99 2.03 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 29 V 9.19 4.55 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 1.22 0.00 0.00 1.05 0.00 0.00 30 K 9.51 4.87 0.00 1.91 1.90 0.00 1.40 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.72 1.42 7.81 31 V 9.25 4.78 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 0.71 0.00 0.00 1.06 0.00 0.00 32 W 8.05 5.45 0.00 3.54 3.20 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 33 G 7.35 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 0.00 0.00 0.00 34 S 7.70 5.09 0.00 3.86 3.63 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 35 I 8.84 4.75 1.83 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 1.29 0.49 0.91 0.00 0.00 36 K 8.98 4.74 0.00 1.80 1.91 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.35 7.81 37 G 8.80 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 38 L 7.62 4.38 0.00 1.84 1.51 0.84 0.47 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 39 T 8.25 4.44 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 1.24 0.00 0.00 40 E 8.75 4.10 0.00 2.17 2.30 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 2.38 2.34 0.00 41 G 8.40 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 42 L 8.11 4.76 0.00 1.49 1.59 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.06 5.12 0.00 3.05 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.18 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 45 F 8.89 5.52 0.00 2.97 2.96 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 0.00 46 H 8.97 5.29 0.00 3.04 3.06 0.00 5.85 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 47 V 8.62 4.41 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 0.85 0.00 0.00 0.90 0.00 0.00 48 H 9.41 5.00 0.00 3.05 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.15 3.74 0.00 1.71 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 1.47 2.11 0.00 50 F 8.06 4.94 0.00 3.02 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 51 G 8.30 4.57 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 0.00 0.00 0.00 52 D 7.76 4.79 0.00 2.61 2.77 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 53 N 8.74 5.36 0.00 2.71 2.76 0.00 0.00 7.30 7.54 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 54 T 8.65 3.88 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 1.22 0.00 0.00 55 A 8.19 4.64 1.26 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 0.00 0.00 56 G 7.56 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 57 C 8.56 4.38 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 58 T 7.58 3.79 4.34 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 1.23 0.00 0.00 59 S 7.99 4.45 0.00 4.08 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 60 A 7.68 4.48 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.56 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 62 P 0.00 4.77 0.00 2.03 2.18 0.00 3.62 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 1.93 1.96 0.00 63 H 8.49 4.24 0.00 2.89 3.23 0.00 5.73 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 64 F 9.28 4.23 0.00 2.93 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 65 N 8.05 4.94 0.00 2.61 2.45 0.00 0.00 6.92 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 66 P 0.00 4.34 0.00 2.04 1.75 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.00 67 L 7.05 4.63 0.00 1.52 1.61 0.90 0.94 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 68 S 7.72 3.64 0.00 4.01 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 69 R 7.91 4.53 0.00 1.68 2.05 0.00 3.38 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 70 K 9.23 4.41 0.00 1.60 1.71 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 71 H 8.82 4.36 0.00 3.12 3.14 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.97 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 73 G 8.54 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 0.00 0.00 0.00 0.00 74 P 0.00 4.41 0.00 2.22 2.30 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 75 K 7.94 4.16 0.00 1.77 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 76 D 8.04 4.49 0.00 2.73 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 77 E 8.73 3.93 0.00 1.90 1.96 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 2.28 2.34 0.00 78 E 7.83 4.32 0.00 1.92 1.85 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 2.22 2.31 0.00 79 R 7.54 5.24 0.00 1.98 1.77 0.00 2.73 0.00 0.00 3.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 80 H 8.94 4.54 0.00 3.66 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.18 3.50 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 0.75 0.00 0.00 0.44 0.00 0.00 82 G 7.99 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 83 D 7.87 4.90 0.00 2.80 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 84 L 8.37 4.80 0.00 2.02 1.90 1.01 1.05 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 85 G 8.06 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 86 N 8.61 6.26 0.00 2.58 2.70 0.00 0.00 7.11 7.68 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 87 V 8.22 4.42 1.81 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 -0.06 0.00 0.00 0.80 0.00 0.00 88 T 8.19 5.12 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 1.20 0.00 0.00 89 A 8.93 4.86 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 90 D 9.09 5.00 0.00 2.81 2.85 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 91 K 8.43 4.65 0.00 1.88 1.99 0.00 1.17 0.00 0.00 2.36 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.42 7.81 92 D 8.25 4.57 0.00 2.83 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 93 A 8.13 4.44 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 4.87 2.33 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 0.75 0.00 0.00 0.97 0.00 0.00 95 A 8.96 5.15 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 D 8.69 4.93 0.00 2.56 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 97 V 8.58 3.80 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 0.73 0.00 0.00 0.56 0.00 0.00 98 S 8.41 4.85 0.00 3.90 3.72 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 99 I 9.50 4.84 1.96 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 1.14 0.53 1.01 0.00 0.00 100 E 8.71 5.15 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 2.21 2.33 0.00 101 D 9.27 5.08 0.00 2.81 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 0.00 102 S 8.90 4.78 0.00 4.01 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 0.00 103 V 8.09 3.91 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 7.94 4.18 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 1.07 0.00 0.00 105 S 8.19 4.63 0.00 3.90 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 0.00 106 L 8.72 4.47 0.00 1.80 1.63 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.86 4.35 0.00 3.94 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 0.00 108 G 8.32 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 0.00 0.00 0.00 109 D 8.53 4.51 0.00 2.66 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 0.00 110 H 8.01 5.08 0.00 3.17 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.04 4.31 0.00 2.97 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 0.00 112 I 8.15 3.89 1.62 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 1.39 0.30 0.98 0.00 0.00 113 I 7.20 3.85 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 0.85 0.00 0.00 114 G 9.61 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 0.00 115 R 7.49 4.95 0.00 1.65 1.83 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 0.00 116 T 7.75 5.03 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 0.00 117 L 8.80 4.85 0.00 1.72 1.50 0.47 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.95 4.88 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 0.78 0.00 0.00 0.73 0.00 0.00 119 V 8.60 4.92 2.29 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 0.77 0.00 0.00 1.00 0.00 0.00 120 H 9.21 5.20 0.00 3.21 3.55 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.94 4.19 0.00 2.06 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 2.34 0.00 122 K 9.00 4.75 0.00 1.73 1.71 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 123 A 8.38 4.58 1.24 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 0.00 0.00 124 D 9.83 5.09 0.00 2.73 2.77 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 0.00 125 D 9.13 4.62 0.00 2.92 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 0.00 126 L 9.75 3.46 0.00 1.82 1.80 0.93 0.93 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 0.00 127 G 9.12 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 0.00 0.00 0.00 0.00 128 K 8.08 4.56 0.00 1.75 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.55 7.81 129 G 7.67 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 0.00 130 G 7.69 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 0.00 0.00 0.00 131 N 7.77 4.50 0.00 2.82 2.90 0.00 0.00 5.97 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 0.00 132 E 8.52 4.25 0.00 2.21 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 0.00 2.32 2.35 0.00 133 E 8.14 3.87 0.00 2.09 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 0.00 2.43 2.44 0.00 134 S 8.42 4.30 0.00 4.12 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 0.00 135 T 8.01 4.36 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 0.00 136 K 7.72 4.28 0.00 1.77 1.79 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.65 7.81 137 T 8.27 4.18 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 1.21 0.00 0.00 138 G 7.87 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 0.00 139 N 8.39 4.33 0.00 2.95 2.92 0.00 0.00 6.86 7.06 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 0.00 140 A 6.83 4.28 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 0.00 141 G 7.33 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 0.00 142 S 8.09 4.43 0.00 3.98 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 0.00 143 R 8.30 4.30 0.00 1.66 1.83 0.00 3.19 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 144 L 8.64 4.28 0.00 1.73 1.70 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.76 5.08 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 0.00 146 C 8.31 5.71 0.00 2.96 3.12 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 0.00 147 G 7.98 4.63 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 0.00 0.00 0.00 148 V 8.37 4.44 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 0.81 0.00 0.00 0.95 0.00 0.00 149 I 8.94 4.05 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.75 0.32 0.00 0.00 150 G 8.58 4.38 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 0.00 151 I 8.31 4.18 1.86 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 1.24 0.54 0.91 0.00 0.00 152 A 8.64 4.81 1.21 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 0.00 153 Q 8.56 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00