NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6800 8.4293 116.1936 55.1361 30.3240 173.2970 2 C 4.0705 7.6425 114.1482 56.9987 30.3085 172.2561 3 D 4.5962 8.3648 118.7442 55.0161 40.0754 175.4855 4 L 4.0532 8.0669 120.6629 56.9490 42.2071 175.6761 5 P 4.6027 0.0000 0.0000 62.1347 32.4928 175.1615 6 C 4.3150 8.4323 112.5654 57.7286 30.6492 174.9654 7 G 3.9547 8.3858 107.6248 45.5448 0.0000 172.9268 8 V 4.3130 7.2650 118.6393 60.9888 32.7670 174.2983 9 Y 4.6552 8.0692 123.5472 56.5846 42.1084 174.6458 10 D 3.5906 7.8223 116.3985 51.7388 43.7491 174.8338 11 P 4.0466 0.0000 0.0000 64.7278 31.1218 178.1438 12 A 4.0095 8.2622 120.3699 55.1463 18.3228 179.4934 13 Q 3.7648 7.9910 116.4190 59.0395 28.6736 179.0751 14 A 4.1125 7.7179 121.2330 54.9095 18.5793 179.4133 15 R 3.8154 7.9543 117.2079 59.7424 30.0774 178.6069 16 I 3.6918 7.9181 119.7140 64.6502 37.1691 178.3271 17 E 3.9779 7.8619 118.0554 59.3927 29.3479 179.3068 18 A 4.0799 8.2518 120.8278 55.0740 18.3092 179.5333 19 E 3.9700 8.7863 117.6942 59.6884 29.4234 179.7191 20 S 4.1314 7.8661 115.2929 61.3372 62.8606 176.7925 21 V 3.5763 7.5612 120.6272 65.9089 31.2761 178.1063 22 K 4.1304 8.0919 119.0781 59.4346 32.0675 178.5847 23 A 4.0320 8.2381 121.2607 55.3505 18.2038 179.7404 24 I 3.7634 8.2368 118.6863 64.4567 37.0314 178.6694 25 Q 3.9965 8.0642 118.8724 59.0946 28.0787 178.6288 26 E 4.0066 8.3158 119.5051 59.5894 29.5377 179.7405 27 K 4.1183 8.2219 118.3677 59.6738 31.8626 179.3863 28 M 4.4203 8.2231 118.4068 58.3160 31.9019 178.3164 29 A 4.1492 8.0369 120.2143 54.7771 18.6113 179.0014 30 A 4.4149 7.6546 117.5542 52.4631 18.9626 176.6740 31 N 4.7008 7.8467 115.4204 52.3021 39.9177 173.2128 32 D 4.8408 8.5949 124.8539 54.2012 41.3415 176.9202 33 D 4.4576 8.5545 120.6213 54.0410 42.4945 176.2171 34 L 3.9357 8.6861 128.6942 59.0492 42.2066 178.9384 35 H 4.0886 8.3844 115.2969 58.8139 28.6140 177.5177 36 F 4.2282 8.5784 122.5551 61.3286 39.2407 177.2513 37 Q 3.8480 8.3332 117.8971 58.8722 28.4729 178.9788 38 I 3.6211 7.9871 120.9863 64.5401 37.2250 178.7160 39 R 3.8510 7.9197 118.5584 59.1863 29.7904 179.0763 40 A 3.7504 8.0408 120.8529 55.1704 18.2399 179.8647 41 T 3.7049 7.8576 114.3078 66.6357 68.5763 176.9330 42 V 3.5315 7.6238 120.0532 66.2865 31.4978 178.2067 43 I 3.8965 7.7823 119.4089 64.1675 36.8413 178.3618 44 K 3.8889 8.2607 120.7958 59.2289 31.9960 178.3595 45 E 3.8865 8.1499 119.6394 59.4531 29.5431 178.8789 46 Q 3.9812 7.8290 117.3369 59.2221 28.8293 179.1808 47 R 3.9262 8.2496 118.9039 59.1108 30.0015 179.0476 48 A 4.0385 8.2782 120.9430 54.9434 18.3417 179.3230 49 E 3.8842 8.2491 118.0184 59.3963 29.7159 179.0823 50 L 3.9526 8.2190 119.0070 57.4090 41.6013 179.3601 51 A 4.0469 7.9174 120.9296 55.0935 18.3277 179.7399 52 K 3.8756 8.1825 117.1093 59.8321 32.1452 178.9102 53 H 4.1254 8.3341 118.3954 59.7753 29.8662 176.9265 54 H 4.2126 8.1827 117.8199 58.9820 28.5176 177.8640 55 L 4.1179 8.0767 120.7902 57.7895 41.3885 179.1856 56 D 4.5700 8.5412 119.4571 57.3707 40.7374 179.0435 57 V 3.7107 8.0109 118.7846 65.8972 31.5035 178.0309 58 L 3.8951 7.8803 118.2806 57.5397 41.2723 179.2910 59 W 4.7165 8.3822 127.0632 60.7822 30.8199 177.7081 60 S 4.0270 8.6860 112.9880 60.3497 62.8998 175.1611 61 D 4.6835 8.3833 120.9607 56.0210 41.7512 177.3979 62 Y 3.3493 7.5286 118.3634 60.0358 39.0762 175.4799 63 F 4.0913 7.9541 119.0559 57.5649 39.3025 175.6840 64 K 4.4023 8.0118 125.0137 54.2151 33.9292 175.6940 65 P 4.4810 0.0000 0.0000 65.8714 31.0491 177.2227 66 P 4.2710 0.0000 0.0000 65.7750 31.1829 178.3696 67 H 4.3025 7.9729 115.1824 58.9710 28.4630 177.8785 68 F 4.2879 7.8631 118.9286 60.0974 38.5212 177.6520 69 E 4.0170 7.7338 117.8208 59.7023 29.4831 179.3293 70 S 4.0475 7.9028 113.3745 60.2539 64.2356 174.4512 71 Y 4.7501 7.5488 118.8585 55.0769 37.9163 174.1834 72 P 4.6697 0.0000 0.0000 63.7995 31.9102 177.5770 73 E 4.5855 7.9827 117.7119 56.2823 30.9372 177.2693 74 L 3.9240 8.3703 122.2065 58.4671 42.0045 178.2870 75 H 4.4132 8.4384 115.5104 59.5828 28.6810 177.6682 76 T 3.8335 7.9465 116.6844 66.3499 68.3497 176.1834 77 L 3.8485 8.1735 122.5332 58.3969 42.1183 179.3718 78 V 3.5720 8.1404 118.4102 65.8946 31.4248 177.4900 79 N 4.0592 8.0994 116.9204 56.5459 38.7506 176.8099 80 E 3.7458 8.3514 120.3087 58.7953 29.3963 179.0803 81 A 3.7247 7.4346 120.8373 55.2687 18.4907 180.1651 82 V 3.5450 7.7288 110.9187 64.4992 31.4959 179.0714 83 K 3.9413 8.0247 118.0746 59.2287 31.8240 179.2510 84 A 4.0456 8.3712 121.6182 55.1547 18.2809 179.7214 85 L 3.9904 7.8816 117.5594 57.9891 41.4561 179.8395 86 S 4.1048 7.9662 114.0819 61.5291 62.9140 176.2794 87 A 4.1150 8.3736 123.5370 55.1139 18.2433 179.4981 88 A 4.0709 8.0235 120.6023 54.6491 18.1620 179.9727 89 K 3.9584 7.8614 116.1438 58.9443 32.1326 177.7583 90 A 4.6574 7.4474 119.9621 51.6589 19.1951 176.4896 91 S 4.6415 7.8392 112.0721 58.7088 65.5137 173.8844 92 T 4.3391 8.3829 114.7928 61.2811 69.3801 173.7444 93 D 4.5430 8.1098 123.8982 53.1558 41.1983 174.9525 94 P 4.6675 0.0000 0.0000 64.7654 31.1232 178.3193 95 A 4.0580 8.8070 120.5890 54.9947 17.9072 179.7218 96 T 3.9039 8.2658 108.8304 65.0053 68.8655 176.9361 97 G 3.6601 8.2018 108.5136 47.4283 0.0000 175.1740 98 Q 3.9744 8.1793 122.0326 58.6516 29.0752 178.0915 99 K 3.7348 8.3655 120.7642 59.5232 32.2216 178.5613 100 A 4.1925 8.0118 120.8152 55.3267 18.3451 179.6100 101 L 4.0173 8.0273 117.4333 57.9192 41.5699 179.6242 102 D 4.2892 8.2969 119.3046 57.4866 40.7360 178.3216 103 Y 4.5017 7.6656 118.4640 60.8163 37.8339 178.7010 104 I 3.7607 8.0971 120.4221 64.4047 36.9151 178.3274 105 A 4.0351 7.7540 120.8901 55.1037 18.4688 179.5322 106 Q 4.1153 7.9341 116.1224 59.3299 28.8207 178.7395 107 I 3.8506 7.9521 120.8483 64.7142 37.1484 177.9270 108 D 4.3434 8.5035 118.8616 57.2542 41.0340 178.5826 109 K 4.1824 8.1760 119.1743 59.5684 32.0628 179.4794 110 I 3.5264 7.7093 119.6819 64.3746 37.0151 177.4038 111 F 4.1535 8.6949 121.9914 61.2431 39.0948 176.9932 112 W 4.2919 8.5575 118.6527 59.6391 28.9049 178.4311 113 E 3.9906 8.0750 119.2315 59.5835 28.9633 179.0198 114 T 3.9119 7.7865 108.3409 64.5477 68.7556 176.3404 115 K 4.0496 7.6103 120.9113 59.2428 32.1629 179.0367 116 K 4.2090 8.0673 117.2311 58.4383 32.2062 177.4956 117 A 4.3351 8.0926 125.2871 52.7052 18.4934 176.9440 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 H 8.43 4.68 0.00 3.25 3.26 0.00 5.48 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.64 4.07 0.00 3.09 2.90 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 3 D 8.36 4.60 0.00 2.86 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 4 L 8.07 4.05 0.00 1.60 1.74 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.60 0.00 2.33 2.13 0.00 3.82 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 2.00 2.00 0.00 6 C 8.43 4.31 0.00 3.01 2.98 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 7 G 8.39 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 8 V 7.26 4.31 1.99 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 0.88 0.00 0.00 0.92 0.00 0.00 9 Y 8.07 4.66 0.00 2.73 2.49 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 0.00 0.00 0.00 0.00 10 D 7.82 3.59 0.00 2.51 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 0.00 0.00 0.00 11 P 0.00 4.05 0.00 2.13 1.84 0.00 2.81 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 1.32 1.04 0.00 12 A 8.26 4.01 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 13 Q 7.99 3.76 0.00 1.82 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 14 A 7.72 4.11 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 15 R 7.95 3.82 0.00 1.91 2.07 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 16 I 7.92 3.69 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 1.52 1.40 0.91 0.00 0.00 17 E 7.86 3.98 0.00 2.29 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 0.00 2.55 2.55 0.00 18 A 8.25 4.08 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 19 E 8.79 3.97 0.00 2.19 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 2.34 2.53 0.00 20 S 7.87 4.13 0.00 4.02 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 21 V 7.56 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 22 K 8.09 4.13 0.00 1.90 1.79 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 23 A 8.24 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.24 3.76 2.05 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 1.54 0.77 0.87 0.00 0.00 25 Q 8.06 4.00 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 26 E 8.32 4.01 0.00 2.20 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 2.35 2.47 0.00 27 K 8.22 4.12 0.00 2.23 2.11 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.75 7.81 28 M 8.22 4.42 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.45 0.00 29 A 8.04 4.15 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 30 A 7.65 4.41 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 31 N 7.85 4.70 0.00 2.34 2.38 0.00 0.00 7.17 8.49 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 32 D 8.59 4.84 0.00 2.73 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 33 D 8.55 4.46 0.00 2.85 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 34 L 8.69 3.94 0.00 1.80 1.66 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.38 4.09 0.00 3.49 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.58 4.23 0.00 3.17 3.29 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 0.00 0.00 0.00 0.00 37 Q 8.33 3.85 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 38 I 7.99 3.62 1.97 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 1.47 0.76 0.87 0.00 0.00 39 R 7.92 3.85 0.00 1.75 1.91 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 40 A 8.04 3.75 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 41 T 7.86 3.70 4.31 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 1.17 0.00 0.00 42 V 7.62 3.53 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 1.00 0.00 0.00 0.97 0.00 0.00 43 I 7.78 3.90 1.82 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 1.38 0.55 0.90 0.00 0.00 44 K 8.26 3.89 0.00 1.82 1.97 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.15 3.89 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 46 Q 7.83 3.98 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 47 R 8.25 3.93 0.00 1.81 2.11 0.00 3.32 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 48 A 8.28 4.04 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 49 E 8.25 3.88 0.00 2.21 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 0.00 2.29 2.37 0.00 50 L 8.22 3.95 0.00 1.89 1.68 0.93 0.50 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 51 A 7.92 4.05 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 52 K 8.18 3.88 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.64 7.81 53 H 8.33 4.13 0.00 3.22 3.42 0.00 5.79 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 54 H 8.18 4.21 0.00 3.37 3.27 0.00 5.67 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 55 L 8.08 4.12 0.00 1.89 1.76 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.54 4.57 0.00 2.89 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 57 V 8.01 3.71 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 1.25 0.00 0.00 0.87 0.00 0.00 58 L 7.88 3.90 0.00 2.02 1.57 0.67 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.38 4.72 0.00 3.47 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 60 S 8.69 4.03 0.00 4.03 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 61 D 8.38 4.68 0.00 2.97 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 62 Y 7.53 3.35 0.00 1.64 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 63 F 7.95 4.09 0.00 2.93 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 0.00 0.00 0.00 64 K 8.01 4.40 0.00 1.41 1.57 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.15 7.81 65 P 0.00 4.48 0.00 2.15 2.16 0.00 3.55 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 2.11 2.23 0.00 66 P 0.00 4.27 0.00 2.04 2.05 0.00 3.39 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 2.02 2.13 0.00 67 H 7.97 4.30 0.00 3.04 3.10 0.00 5.63 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 68 F 7.86 4.29 0.00 3.22 3.02 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 69 E 7.73 4.02 0.00 2.06 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 2.62 2.50 0.00 70 S 7.90 4.05 0.00 3.32 3.15 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 71 Y 7.55 4.75 0.00 2.97 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 72 P 0.00 4.67 0.00 2.21 2.21 0.00 3.34 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 73 E 7.98 4.59 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 2.36 2.26 0.00 74 L 8.37 3.92 0.00 1.78 1.80 0.64 -0.54 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 75 H 8.44 4.41 0.00 3.29 3.37 0.00 5.68 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 76 T 7.95 3.83 4.39 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 1.24 0.00 0.00 77 L 8.17 3.85 0.00 1.84 1.88 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.14 3.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.19 0.00 0.00 79 N 8.10 4.06 0.00 2.72 2.74 0.00 0.00 7.20 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 80 E 8.35 3.75 0.00 1.62 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 2.18 2.25 0.00 81 A 7.43 3.72 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 82 V 7.73 3.55 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.83 0.00 0.00 83 K 8.02 3.94 0.00 1.90 1.80 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.48 7.81 84 A 8.37 4.05 1.57 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 85 L 7.88 3.99 0.00 1.92 1.73 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.97 4.10 0.00 4.00 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 87 A 8.37 4.12 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 88 A 8.02 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.86 3.96 0.00 1.99 2.01 0.00 1.68 0.00 0.00 1.91 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 A 7.45 4.66 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 91 S 7.84 4.64 0.00 3.82 3.76 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 92 T 8.38 4.34 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 1.20 0.00 0.00 93 D 8.11 4.54 0.00 2.72 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 94 P 0.00 4.67 0.00 2.20 2.12 0.00 3.94 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 95 A 8.81 4.06 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 96 T 8.27 3.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 97 G 8.20 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.18 3.97 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 99 K 8.37 3.73 0.00 1.92 2.01 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.32 7.81 100 A 8.01 4.19 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 0.00 101 L 8.03 4.02 0.00 1.92 1.74 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.30 4.29 0.00 2.62 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 0.00 103 Y 7.67 4.50 0.00 3.21 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 0.00 104 I 8.10 3.76 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.93 0.00 0.00 105 A 7.75 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.93 4.12 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 107 I 7.95 3.85 2.09 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 1.48 0.98 1.08 0.00 0.00 108 D 8.50 4.34 0.00 2.91 2.95 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 0.00 109 K 8.18 4.18 0.00 2.09 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.75 7.81 110 I 7.71 3.53 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 -0.06 0.00 0.00 111 F 8.69 4.15 0.00 3.04 2.95 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 0.00 112 W 8.56 4.29 0.00 3.57 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 0.00 113 E 8.07 3.99 0.00 2.25 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 2.40 2.60 0.00 114 T 7.79 3.91 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 1.24 0.00 0.00 115 K 7.61 4.05 0.00 2.01 1.98 0.00 1.53 0.00 0.00 1.06 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.36 0.53 7.81 116 K 8.07 4.21 0.00 1.82 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.74 7.81 117 A 8.09 4.34 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