NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3719 8.3344 115.4111 58.2920 64.8423 173.5385 2 M 4.2294 8.2259 118.6453 55.1512 30.2585 174.6388 3 Q 3.9862 8.0931 121.5079 58.2363 30.6215 176.0788 4 D 4.7884 7.7211 118.2151 51.4592 41.9757 173.4221 5 P 4.3578 0.0000 0.0000 65.8381 31.9056 178.4057 6 I 3.6162 8.0819 119.4886 64.2384 36.8115 177.4672 7 A 3.9031 8.0447 121.0701 55.6112 18.1015 178.8230 8 D 4.4933 7.6284 116.8970 57.4571 41.1474 178.3441 9 M 4.0067 8.1770 118.4356 58.2457 32.1609 177.7333 10 L 3.9210 7.8806 118.6127 58.3506 41.7775 179.5345 11 T 3.8369 8.7188 110.3999 65.0324 68.8144 176.4632 12 R 3.9302 8.3820 122.2647 59.0634 30.1024 178.4012 13 I 3.7555 7.9642 120.1762 63.7060 36.7762 178.1467 14 R 3.8525 7.7592 118.2580 59.9171 29.4914 178.1869 15 N 4.5023 8.2185 117.5245 55.8514 38.4739 177.6786 16 G 3.5925 7.9038 106.4100 47.9904 0.0000 175.7025 17 Q 4.0171 7.9072 119.1202 58.0233 29.1198 179.1025 18 A 4.2399 7.6924 122.0519 54.7896 18.4128 178.5807 19 A 4.3730 7.9475 117.1776 51.4600 18.3553 177.3776 20 N 5.1094 7.7796 112.2456 53.4655 36.8762 174.8434 21 K 3.9798 7.5352 117.0877 56.5841 32.8856 176.9460 22 A 4.1311 8.9166 126.5831 54.9802 18.8531 176.0973 23 A 5.1245 7.4982 116.1719 51.4058 22.0653 174.7472 24 V 4.5703 8.6250 112.1600 61.4467 35.3495 173.6882 25 T 5.7095 9.1619 117.1078 60.2814 72.6186 173.1067 26 M 4.4910 8.1048 123.8834 54.4194 33.1031 172.9398 27 P 5.2135 0.0000 0.0000 62.6603 31.4392 175.8906 28 S 4.3694 8.6694 121.9823 58.8475 63.5946 174.3103 29 S 4.7377 8.3628 117.6560 55.4766 65.8655 174.7687 30 K 3.8822 8.8139 123.1031 59.8766 31.9859 178.2902 31 L 4.0626 7.8027 119.7927 58.2122 42.2761 178.5198 32 K 3.7646 7.6166 118.2674 60.4314 31.9391 178.2028 33 V 3.2662 7.8958 117.3827 65.3004 31.1714 177.4445 34 A 3.9860 7.9038 119.0233 55.5870 18.4903 179.6479 35 I 3.5742 7.5086 117.6182 64.6205 37.3307 178.6159 36 A 3.8917 8.1186 121.8620 54.7980 18.0092 179.2514 37 N 4.5154 8.2974 116.1501 56.9101 39.0427 177.0692 38 V 3.6204 7.7363 119.5749 66.3210 31.6039 177.8262 39 L 4.2539 7.9459 118.4195 57.9836 41.1965 179.6076 40 K 4.7861 7.7969 119.9941 58.8521 32.2043 178.7028 41 E 4.1476 8.0273 118.1839 59.2468 29.7934 179.7999 42 E 4.2033 8.2740 117.3793 57.0877 30.2915 176.8122 43 G 4.0532 7.9540 103.2251 46.4728 0.0000 175.3520 44 F 4.8469 8.1962 120.1527 58.9045 39.8172 176.8157 45 I 4.7143 7.4750 112.4703 58.7346 39.8480 174.7200 46 E 3.8598 7.6268 121.5128 59.1871 30.5231 178.8764 47 D 4.4289 9.1098 119.4775 55.0911 44.8900 172.9854 48 F 5.7785 8.1866 112.2114 58.7703 40.9927 172.4782 49 K 4.3359 8.3983 117.0272 55.4377 35.0735 176.5732 50 V 4.3487 8.2672 130.2426 60.7850 29.4799 175.5838 51 E 3.9464 8.2084 123.0990 58.0221 31.6355 174.8304 52 G 4.2474 8.8345 116.0928 46.8521 0.0000 173.1052 53 D 4.3681 8.6207 125.1466 57.2236 41.4323 177.4057 54 T 3.8821 7.8094 111.8184 64.0542 67.7535 173.3677 55 K 4.5687 7.6660 120.3115 53.3869 34.5305 173.9451 56 P 4.8560 0.0000 0.0000 63.1630 32.9865 175.4648 57 E 4.8983 9.2601 121.9118 54.8921 33.8969 174.1631 58 L 4.6624 9.3868 128.8011 53.8975 43.2482 177.2275 59 E 4.7382 9.0217 131.4841 55.4383 28.3189 177.2390 60 L 4.5868 7.8557 121.5990 55.7168 43.8234 177.2458 61 T 4.5089 9.0265 119.1661 60.8693 69.5267 174.2280 62 L 4.2291 8.1658 126.0028 55.0922 42.6136 176.8041 63 K 4.8274 8.6579 123.4564 55.0069 34.9852 174.5596 64 Y 5.2637 8.8022 122.8196 56.3617 42.7906 176.0309 65 F 5.4460 8.4723 124.2323 58.5913 40.0908 177.6596 66 Q 4.3935 7.7238 123.1865 55.0709 27.3081 177.9600 67 G 3.8967 8.5453 111.7697 45.7628 0.0000 172.4755 68 K 4.2119 7.3230 117.4143 55.4922 35.0026 173.5327 69 A 4.4744 8.5637 126.5152 51.5145 18.3584 176.9489 70 V 3.6299 7.1885 119.5959 64.9235 32.0325 176.9816 71 V 3.7061 7.1286 121.8381 63.6896 32.1872 176.0452 72 E 4.7110 8.1580 118.2496 56.8304 32.9165 176.4010 73 S 4.5419 7.3023 114.6830 57.2276 63.2620 171.1822 74 I 4.4544 7.7578 120.2985 58.4868 38.9643 173.8136 75 Q 4.7240 8.0818 126.3583 53.2226 32.5607 175.0668 76 R 3.6522 8.3943 121.9324 57.1796 30.7654 174.4930 77 V 3.9404 8.3636 119.1227 63.2079 32.7002 176.2939 78 S 4.2996 7.6230 119.0734 56.9229 61.7178 174.3181 79 R 3.9607 7.6342 116.9077 55.4401 29.5587 174.6154 80 P 4.2761 0.0000 0.0000 63.5096 31.8416 176.6268 81 G 4.0669 8.6946 105.5441 46.0623 0.0000 174.2225 82 L 4.3601 7.3295 116.9932 52.5837 43.1409 175.3041 83 R 3.8676 8.1640 115.9956 56.7446 31.1121 176.4997 84 I 4.4699 8.2486 120.7221 59.7918 41.1195 173.9066 85 Y 5.0153 8.6419 123.9488 56.1968 40.7189 175.1467 86 K 4.7313 8.6624 122.7983 54.5801 36.0674 176.1563 87 R 4.4278 8.3209 120.6202 54.8108 31.2952 178.0743 88 K 4.1636 8.5744 118.6245 59.6371 32.4551 177.4742 89 D 4.6160 7.9913 116.4170 53.4850 40.0944 176.4175 90 E 4.1374 8.8782 121.0020 59.1381 30.2942 176.6590 91 L 3.6336 6.9622 121.7619 52.9418 39.2626 174.9422 92 P 4.4027 0.0000 0.0000 62.1619 32.2097 175.9373 93 K 4.2998 7.9637 117.3175 54.0307 33.1924 176.5423 94 V 3.2666 8.1477 124.2036 64.6451 32.5220 175.6143 95 M 3.1035 9.4081 125.3105 57.4620 30.4429 176.4405 96 A 3.6927 9.1153 113.7978 53.3528 17.0435 177.4232 97 G 4.1330 8.4043 111.6058 47.9241 0.0000 176.4068 98 L 4.0113 7.8749 119.3249 57.2570 41.7199 178.2182 99 G 4.0748 7.8058 105.6621 44.7101 0.0000 172.2000 100 I 4.6903 8.6259 113.0300 58.7706 40.5825 175.0752 101 A 4.9375 9.3228 126.0996 50.1751 21.4365 175.8002 102 V 4.1161 8.5367 123.6639 63.1300 32.3502 175.1838 103 V 4.8840 8.3902 127.7628 61.0906 34.9925 174.0870 104 S 4.8319 9.4587 123.7195 57.9824 63.7651 173.0663 105 T 4.9172 8.2883 116.5257 59.3169 72.2180 174.5226 106 S 4.3797 8.5864 112.6572 58.9214 61.9204 173.9501 107 K 4.5486 8.7002 115.6157 55.7675 33.7548 175.7493 108 G 4.1424 7.8642 106.9622 43.9390 0.0000 174.7345 109 V 4.1351 8.1199 121.0039 62.9095 29.9170 175.6531 110 M 4.5509 8.2435 126.2378 53.9729 34.6702 175.4570 111 T 4.9483 8.0149 109.1084 60.4414 72.7592 173.9605 112 D 4.3342 8.4566 121.5553 57.3343 38.9570 178.9322 113 R 3.8815 8.0718 119.7933 58.7354 30.1225 178.1346 114 A 3.9335 7.8798 119.6152 55.0847 18.2337 179.3480 115 A 3.9377 8.6672 118.9593 55.2691 18.4579 179.3286 116 R 3.8867 8.5250 117.3525 60.2538 29.8684 178.6601 117 Q 4.0145 7.8191 116.2379 58.8200 28.8190 178.5733 118 A 4.1939 7.6410 120.3706 53.0097 18.3311 178.1080 119 G 3.8716 8.6194 105.7484 45.6134 0.0000 173.1100 120 L 4.8394 7.6575 117.7145 53.7488 43.8103 175.3749 121 G 4.1284 7.7520 106.6412 44.1758 0.0000 171.5533 122 G 4.7363 7.8168 104.8561 46.2142 0.0000 171.8995 123 E 4.9743 8.4842 120.8380 55.4962 30.6092 176.8650 124 I 4.3738 8.2223 127.4769 61.8796 38.3519 174.9609 125 I 4.6283 8.7486 121.7587 62.3950 40.6749 175.2705 126 C 4.8247 7.8579 114.2796 56.6853 33.0279 172.5366 127 Y 5.3932 7.4169 116.3100 57.3370 36.7813 177.3848 128 V 4.2279 8.0427 119.6782 62.8032 33.0952 176.4918 129 A 4.5111 8.4385 129.9618 52.3637 19.1495 176.1034 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 S 8.33 4.37 0.00 3.99 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 2 M 8.23 4.23 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.09 3.99 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 4 D 7.72 4.79 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.36 0.00 2.23 2.27 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 6 I 8.08 3.62 1.98 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 1.54 0.77 0.86 0.00 0.00 7 A 8.04 3.90 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 8 D 7.63 4.49 0.00 2.71 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 9 M 8.18 4.01 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 10 L 7.88 3.92 0.00 1.66 1.65 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.72 3.84 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 12 R 8.38 3.93 0.00 1.90 2.04 0.00 3.16 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 13 I 7.96 3.76 2.06 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.11 0.83 0.00 0.00 14 R 7.76 3.85 0.00 1.85 2.01 0.00 3.05 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 15 N 8.22 4.50 0.00 2.76 2.92 0.00 0.00 6.97 7.86 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 16 G 7.90 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 0.00 0.00 0.00 17 Q 7.91 4.02 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 18 A 7.69 4.24 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 19 A 7.95 4.37 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 20 N 7.78 5.11 0.00 2.93 2.77 0.00 0.00 6.97 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.54 3.98 0.00 1.98 1.98 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.59 7.81 22 A 8.92 4.13 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 A 7.50 5.12 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 24 V 8.63 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 0.73 0.00 0.00 0.95 0.00 0.00 25 T 9.16 5.71 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 1.23 0.00 0.00 26 M 8.10 4.49 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 27 P 0.00 5.21 0.00 2.09 2.16 0.00 3.37 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 28 S 8.67 4.37 0.00 3.78 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 29 S 8.36 4.74 0.00 3.93 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 30 K 8.81 3.88 0.00 1.77 1.91 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.55 7.81 31 L 7.80 4.06 0.00 1.78 1.61 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.62 3.76 0.00 1.98 1.79 0.00 1.82 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 33 V 7.90 3.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 34 A 7.90 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.51 3.57 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 1.43 0.86 0.88 0.00 0.00 36 A 8.12 3.89 0.73 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 37 N 8.30 4.52 0.00 2.82 3.05 0.00 0.00 6.74 7.67 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 38 V 7.74 3.62 2.27 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 1.11 0.00 0.00 1.07 0.00 0.00 39 L 7.95 4.25 0.00 1.99 1.89 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.80 4.79 0.00 2.14 2.33 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.52 1.55 7.81 41 E 8.03 4.15 0.00 2.11 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 0.00 2.56 2.52 0.00 42 E 8.27 4.20 0.00 1.39 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 2.41 2.36 0.00 43 G 7.95 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 44 F 8.20 4.85 0.00 3.21 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 45 I 7.48 4.71 2.12 0.00 0.00 nan 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 0.86 0.97 0.00 0.00 46 E 7.63 3.86 0.00 2.09 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 2.46 2.51 0.00 47 D 9.11 4.43 0.00 2.56 2.35 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 48 F 8.19 5.78 0.00 3.09 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 49 K 8.40 4.34 0.00 1.85 1.74 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.49 1.54 7.81 50 V 8.27 4.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 51 E 8.21 3.95 0.00 2.34 1.89 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 2.32 2.35 0.00 52 G 8.83 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 53 D 8.62 4.37 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.88 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 55 K 7.67 4.57 0.00 1.79 1.68 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.33 7.81 56 P 0.00 4.86 0.00 2.22 2.19 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 57 E 9.26 4.90 0.00 2.03 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 2.23 2.26 0.00 58 L 9.39 4.66 0.00 1.76 1.55 0.77 1.04 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 59 E 9.02 4.74 0.00 2.18 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 2.33 2.29 0.00 60 L 7.86 4.59 0.00 1.85 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 T 9.03 4.51 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 1.31 0.00 0.00 62 L 8.17 4.23 0.00 1.95 1.92 1.02 0.96 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 63 K 8.66 4.83 0.00 1.90 1.92 0.00 1.87 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.81 7.81 64 Y 8.80 5.26 0.00 3.08 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 65 F 8.47 5.45 0.00 2.85 2.41 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 66 Q 7.72 4.39 0.00 1.78 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.54 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 67 G 8.55 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 68 K 7.32 4.21 0.00 1.85 1.70 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.40 7.81 69 A 8.56 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.19 3.63 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 0.92 0.00 0.00 1.01 0.00 0.00 71 V 7.13 3.71 1.92 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 0.51 0.00 0.00 0.81 0.00 0.00 72 E 8.16 4.71 0.00 2.04 1.95 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 2.11 2.18 0.00 73 S 7.30 4.54 0.00 3.86 3.69 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 0.00 0.00 0.00 74 I 7.76 4.45 1.62 0.00 0.00 0.74 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 0.94 0.78 0.00 0.00 75 Q 8.08 4.72 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 76 R 8.39 3.65 0.00 1.71 1.74 0.00 3.30 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 77 V 8.36 3.94 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 0.52 0.00 0.00 -0.20 0.00 0.00 78 S 7.62 4.30 0.00 3.68 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 79 R 7.63 3.96 0.00 1.90 1.89 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 80 P 0.00 4.28 0.00 2.22 2.20 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 81 G 8.69 4.07 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 82 L 7.33 4.36 0.00 1.57 1.67 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.16 3.87 0.00 1.90 1.46 0.00 3.51 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 84 I 8.25 4.47 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.87 0.00 0.00 85 Y 8.64 5.02 0.00 2.80 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 86 K 8.66 4.73 0.00 1.68 1.73 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.57 7.81 87 R 8.32 4.43 0.00 2.03 1.86 0.00 3.15 0.00 0.00 3.58 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 88 K 8.57 4.16 0.00 1.87 1.87 0.00 1.56 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 89 D 7.99 4.62 0.00 2.78 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 90 E 8.88 4.14 0.00 1.92 2.14 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 2.28 2.33 0.00 91 L 6.96 3.63 0.00 1.70 1.62 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.40 0.00 1.94 2.00 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 93 K 7.96 4.30 0.00 1.66 1.72 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.33 7.81 94 V 8.15 3.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.78 0.00 0.00 95 M 9.41 3.10 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 96 A 9.12 3.69 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 97 G 8.40 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 98 L 7.87 4.01 0.00 1.69 1.76 0.92 0.74 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 99 G 7.81 4.07 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 0.00 100 I 8.63 4.69 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.89 0.00 0.00 101 A 9.32 4.94 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 0.00 102 V 8.54 4.12 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 0.91 0.00 0.00 1.00 0.00 0.00 103 V 8.39 4.88 2.12 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 1.01 0.00 0.00 0.98 0.00 0.00 104 S 9.46 4.83 0.00 3.91 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 0.00 105 T 8.29 4.92 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 1.28 0.00 0.00 106 S 8.59 4.38 0.00 3.86 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 0.00 107 K 8.70 4.55 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.50 7.81 108 G 7.86 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 0.00 109 V 8.12 4.14 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 0.84 0.00 0.00 0.94 0.00 0.00 110 M 8.24 4.55 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.47 0.00 111 T 8.01 4.95 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 0.00 112 D 8.46 4.33 0.00 2.89 2.97 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 0.00 113 R 8.07 3.88 0.00 1.88 1.98 0.00 3.16 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 114 A 7.88 3.93 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 0.00 115 A 8.67 3.94 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 0.00 116 R 8.52 3.89 0.00 2.06 1.95 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 117 Q 7.82 4.01 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 118 A 7.64 4.19 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 0.00 119 G 8.62 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 0.00 0.00 0.00 120 L 7.66 4.84 0.00 1.59 1.59 0.93 0.55 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 0.00 121 G 7.75 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 0.00 122 G 7.82 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.48 4.97 0.00 2.23 1.89 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 2.24 1.95 0.00 124 I 8.22 4.37 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 1.08 0.00 0.00 125 I 8.75 4.63 2.02 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 1.26 0.89 0.87 0.00 0.00 126 C 7.86 4.82 0.00 2.92 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 0.00 127 Y 7.42 5.39 0.00 2.78 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 0.00 128 V 8.04 4.23 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 -0.14 0.00 0.00 0.78 0.00 0.00 129 A 8.44 4.51 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