NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4257 8.3049 120.3453 55.1587 33.3322 175.0161 2 E 3.7876 9.0157 126.5057 59.1221 29.6271 176.1702 3 N 4.5142 8.6952 120.4699 52.3051 38.7005 174.6944 4 S 4.1173 8.4585 120.6913 57.5907 63.4920 174.7068 5 G 4.2302 9.7805 112.6345 44.3396 0.0000 171.5180 6 A 4.0824 8.1380 119.7441 53.4596 15.6667 177.7023 7 Y 4.4182 7.6767 113.8327 58.6885 38.3001 175.6130 8 T 3.7204 7.2246 112.0197 60.6877 69.1578 174.6998 9 F 4.0063 8.6067 121.7750 61.2283 38.4538 176.6694 10 E 3.9519 8.1858 117.9947 60.0193 29.3976 179.3183 11 T 3.9137 7.5760 115.0813 66.3779 68.0047 177.0906 12 I 3.5924 7.1531 121.9388 64.2038 36.5237 178.2597 13 A 3.2970 7.4001 120.6062 54.7069 18.1055 179.6685 14 R 3.4655 7.2752 116.9086 59.0106 29.9481 178.2128 15 E 3.8035 7.2903 118.0845 59.2417 29.4485 179.1929 16 W 4.2421 6.8032 115.8337 59.3087 28.3310 177.8885 17 H 4.2087 6.7326 118.9991 58.7668 28.9956 176.5628 18 E 4.2470 7.9487 117.8460 58.2268 29.5459 178.2462 19 S 4.3597 7.5232 113.8921 57.5335 63.7030 171.4337 20 N 3.9777 8.1969 124.6966 53.4539 36.8276 172.5560 21 K 4.3301 8.3439 124.5533 56.8117 33.7958 175.7717 22 R 4.3188 7.4386 116.0198 54.2451 33.3770 173.0997 23 W 4.7673 6.5006 117.5387 55.7276 30.1859 176.0808 24 S 4.2481 9.1455 111.9271 59.5248 60.1335 172.4432 25 E 4.1299 8.2847 119.4137 58.4551 29.7154 178.4932 26 D 4.3916 8.3298 119.3525 56.5957 39.7366 177.9977 27 H 4.2666 8.1243 118.2879 58.6829 29.8112 177.3730 28 R 4.0102 7.8308 119.4975 58.6570 29.5171 178.6786 29 S 4.0604 7.2786 112.6495 61.4779 62.7015 175.8713 30 R 4.0863 7.8060 120.4934 59.1548 30.0436 178.2318 31 V 3.6617 7.6844 117.7542 65.4704 31.3203 177.3955 32 L 3.9631 7.9718 120.4579 58.4350 41.3545 179.0960 33 R 3.9558 7.8842 117.1673 59.6680 29.8043 178.4972 34 Y 4.1632 8.0441 118.6985 60.4130 38.8179 177.3732 35 L 3.9376 8.3623 121.7895 58.2603 42.4257 178.5753 36 E 3.9000 8.6259 118.8934 59.5416 29.2299 179.3684 37 L 3.9244 7.5075 118.7452 57.9535 42.2525 177.9082 38 Y 4.0177 7.3903 114.5359 59.2063 38.3666 177.2522 39 I 3.8151 7.7544 119.4265 61.8097 39.4238 175.7460 40 F 5.0262 7.1240 117.4036 55.2475 38.8118 172.8906 41 P 4.3435 0.0000 0.0000 65.5096 32.1095 177.9200 42 H 4.6901 8.1055 115.9659 55.2003 30.4062 174.6090 43 I 4.4533 7.5580 110.7402 61.3787 37.9272 176.4093 44 G 3.9585 8.1935 107.5385 46.6943 0.0000 174.5190 45 S 4.6271 7.6475 114.1752 57.9327 63.2599 173.9691 46 S 4.7448 7.5190 115.8111 56.5321 65.7557 173.1355 47 D 4.6365 8.1018 121.3754 52.9789 42.1996 177.2538 48 I 3.6902 8.0591 122.5600 63.8396 38.0978 176.7585 49 R 4.5423 8.8438 117.6851 56.4140 30.2392 176.9424 50 Q 4.4690 7.9463 119.0396 54.3546 28.9917 173.8039 51 L 4.5096 7.6326 120.3281 53.0877 43.8911 175.6745 52 K 4.6970 7.9715 118.6709 54.5484 35.9871 176.1866 53 T 4.6959 7.8481 114.4150 63.2636 69.3693 176.6654 54 S 4.4827 8.6018 119.6744 60.5194 62.4022 175.9511 55 H 4.3097 8.4959 121.8002 58.3782 28.1279 177.2522 56 L 4.1946 7.8538 119.9010 57.6975 40.6730 178.2733 57 L 4.0934 7.7313 121.0479 57.0309 41.9956 178.1982 58 A 3.9828 7.7075 121.6158 55.0783 18.3606 177.8786 59 P 4.2387 0.0000 0.0000 65.9791 30.9062 178.5094 60 I 3.8396 7.6425 119.4160 63.7012 36.9874 178.0570 61 K 4.0361 7.9597 120.5920 58.7572 31.6972 178.3996 62 E 3.9419 7.6446 119.2285 59.4109 29.9719 178.9947 63 V 3.8154 7.7777 118.4662 64.4966 31.7444 177.4841 64 D 4.3883 7.7497 118.4493 57.8083 40.8277 178.5254 65 T 4.0046 7.7691 114.7439 66.2762 68.5037 176.2131 66 S 4.3825 7.6074 114.8884 59.3755 62.9906 175.0981 67 G 4.0152 8.1435 110.3124 45.2173 0.0000 174.0254 68 K 4.5867 7.7426 118.6280 56.4704 32.5769 177.9915 69 H 4.1023 8.4816 118.5514 59.0855 27.7666 176.1070 70 D 4.1546 7.8981 120.2146 57.2008 40.9632 178.3734 71 V 3.6617 8.2147 113.2665 64.0453 31.4237 178.1979 72 A 3.9962 7.7675 120.8743 55.3163 18.2848 179.7158 73 Q 4.4384 7.8880 117.2318 58.8209 28.6720 179.0384 74 R 3.9673 7.5025 117.6428 59.0424 30.3295 179.0305 75 L 4.1526 8.1917 119.4068 57.8324 41.7414 179.3233 76 Q 4.0384 8.4457 118.0387 59.5879 28.3969 178.5390 77 Q 4.0169 8.0645 119.5644 58.6062 28.5394 179.2276 78 R 4.0073 8.0413 119.9984 59.5786 30.2515 179.0357 79 V 4.2166 7.9450 118.5289 65.1472 31.3638 178.2643 80 T 3.8502 8.0263 115.5176 66.2916 68.7377 176.2913 81 A 3.9116 8.0486 122.5377 55.2573 18.3898 179.7162 82 I 4.0130 8.0943 118.6885 64.9325 37.1319 178.3993 83 M 4.1410 8.4390 118.9460 58.5668 31.9822 178.5665 84 R 3.8019 7.7025 118.1582 59.3268 30.1165 178.5604 85 Y 4.1694 7.6762 115.8740 60.8273 37.8828 178.0410 86 A 3.7412 8.4290 122.3914 55.0813 18.4429 179.8752 87 V 3.4883 7.9233 116.8457 65.9148 31.3681 178.0973 88 Q 4.0470 8.0157 118.6348 58.5336 29.0066 176.8652 89 N 4.7404 8.5605 115.5976 52.5341 39.0835 174.6285 90 D 4.4681 7.6508 119.2734 55.5062 39.0179 173.8211 91 Y 4.6771 7.5491 115.2394 56.9532 38.6574 175.7374 92 I 4.1958 7.0853 112.4946 59.8898 39.6581 175.4989 93 D 4.6935 8.2061 124.3820 54.8061 40.2793 173.9232 94 S 4.5421 7.5391 110.4262 57.0153 64.2269 173.2671 95 N 4.8455 8.0433 119.2747 50.3905 38.8250 172.4614 96 P 4.1403 0.0000 0.0000 64.8307 31.7792 176.6824 97 A 4.7013 7.5276 123.3490 50.7229 17.6702 176.1433 98 S 4.9923 8.1596 115.2986 59.4877 63.1494 173.1440 99 D 4.5469 7.4519 116.4880 53.9711 43.3309 173.2818 100 M 3.0373 8.6973 124.6518 55.5278 29.8776 176.0506 101 A 3.7063 8.2817 130.4135 52.4350 16.3734 178.3874 102 G 3.8195 9.1048 109.3344 46.4755 0.0000 171.0152 103 A 3.5066 8.5731 132.7099 51.7770 15.6239 177.2355 104 L 4.1101 8.3663 122.2477 58.1995 42.0263 177.0123 105 S 4.5264 7.1574 111.2796 58.0669 69.0008 173.7761 106 T 4.3496 7.5383 122.1013 60.0412 68.6177 174.5318 107 T 4.0801 8.1807 117.5646 61.2106 69.8681 174.8475 108 K 4.3945 8.2847 125.3222 55.4294 34.6490 174.7113 109 A 4.3156 8.6076 119.3296 52.8575 20.1776 177.0526 110 R 3.6139 7.7443 114.1336 57.4097 27.5639 173.3686 111 H 4.5207 8.1652 116.9585 55.4542 30.1302 172.5558 112 Y 3.4561 8.4927 130.9380 57.1097 35.9496 167.2495 113 P 4.4084 0.0000 0.0000 61.9277 32.3790 176.7594 114 L 4.4733 8.7853 120.0418 55.2489 43.7879 177.1314 115 E 4.1390 7.8578 118.1897 57.5495 28.9266 176.6369 116 H 4.8948 8.0823 113.5363 55.3242 31.1236 173.8271 117 H 4.8386 8.0664 115.1501 54.2373 30.9497 172.7029 118 H 4.5376 8.7090 124.0728 55.1953 32.2097 172.4571 119 H 4.4470 7.8065 121.6171 56.0620 29.2850 172.5934 120 H 4.3235 8.1704 119.7731 55.8365 32.5450 173.2939 121 H 4.4437 8.8940 125.6583 56.2333 29.7914 173.6891 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.43 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 2 E 9.02 3.79 0.00 2.07 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 0.00 2.30 2.33 0.00 3 N 8.70 4.51 0.00 2.68 2.79 0.00 0.00 6.92 7.56 0.00 0.00 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 S 8.46 4.12 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 5 G 9.78 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 0.00 0.00 0.00 0.00 6 A 8.14 4.08 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 7 Y 7.68 4.42 0.00 3.10 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 8 T 7.22 3.72 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 1.05 0.00 0.00 9 F 8.61 4.01 0.00 2.97 2.99 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 10 E 8.19 3.95 0.00 2.04 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 0.00 2.63 2.47 0.00 11 T 7.58 3.91 4.20 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 1.19 0.00 0.00 12 I 7.15 3.59 1.63 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 1.56 1.09 0.99 0.00 0.00 13 A 7.40 3.30 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 14 R 7.28 3.47 0.00 1.63 1.90 0.00 3.21 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 15 E 7.29 3.80 0.00 1.96 1.90 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 2.46 2.38 0.00 16 W 6.80 4.24 0.00 3.19 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 17 H 6.73 4.21 0.00 2.41 3.01 0.00 5.78 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 18 E 7.95 4.25 0.00 2.11 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 0.00 2.26 2.57 0.00 19 S 7.52 4.36 0.00 4.04 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 20 N 8.20 3.98 0.00 2.77 2.84 0.00 0.00 7.07 6.69 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 21 K 8.34 4.33 0.00 1.85 1.86 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.34 7.81 22 R 7.44 4.32 0.00 1.52 1.48 0.00 2.93 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 23 W 6.50 4.77 0.00 3.59 3.16 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 24 S 9.15 4.25 0.00 4.64 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 0.00 25 E 8.28 4.13 0.00 2.24 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 2.47 2.37 0.00 26 D 8.33 4.39 0.00 2.88 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 27 H 8.12 4.27 0.00 3.28 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.83 4.01 0.00 1.95 1.95 0.00 3.39 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 29 S 7.28 4.06 0.00 3.72 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 R 7.81 4.09 0.00 1.89 1.81 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 31 V 7.68 3.66 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 1.08 0.00 0.00 0.89 0.00 0.00 32 L 7.97 3.96 0.00 2.02 1.70 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.88 3.96 0.00 1.99 2.04 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 34 Y 8.04 4.16 0.00 3.06 3.09 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 0.00 0.00 0.00 0.00 35 L 8.36 3.94 0.00 1.92 1.81 0.85 0.89 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 36 E 8.63 3.90 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 37 L 7.51 3.92 0.00 1.73 1.88 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.39 4.02 0.00 2.63 2.78 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 39 I 7.75 3.82 1.52 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.07 -0.50 0.00 0.00 40 F 7.12 5.03 0.00 3.04 2.78 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 41 P 0.00 4.34 0.00 2.10 1.99 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 42 H 8.11 4.69 0.00 3.08 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.56 4.45 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.23 0.94 0.00 0.00 44 G 8.19 3.96 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 0.00 0.00 0.00 45 S 7.65 4.63 0.00 3.74 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 46 S 7.52 4.74 0.00 3.71 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 47 D 8.10 4.64 0.00 2.76 2.54 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 0.00 0.00 0.00 0.00 48 I 8.06 3.69 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.46 0.69 0.00 0.00 49 R 8.84 4.54 0.00 2.05 2.07 0.00 3.36 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 50 Q 7.95 4.47 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 51 L 7.63 4.51 0.00 1.68 1.57 0.79 0.93 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 52 K 7.97 4.70 0.00 1.69 1.70 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.39 7.81 53 T 7.85 4.70 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 54 S 8.60 4.48 0.00 3.84 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 55 H 8.50 4.31 0.00 3.17 3.36 0.00 5.62 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 56 L 7.85 4.19 0.00 1.80 1.82 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.73 4.09 0.00 1.75 1.89 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.71 3.98 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 59 P 0.00 4.24 0.00 2.26 2.29 0.00 3.68 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 2.18 2.08 0.00 60 I 7.64 3.84 2.02 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 1.55 1.18 0.92 0.00 0.00 61 K 7.96 4.04 0.00 2.03 1.86 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 62 E 7.64 3.94 0.00 2.00 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 0.00 2.33 2.39 0.00 63 V 7.78 3.82 2.16 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 0.94 0.00 0.00 0.98 0.00 0.00 64 D 7.75 4.39 0.00 2.78 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 T 7.77 4.00 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 1.21 0.00 0.00 66 S 7.61 4.38 0.00 4.02 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 67 G 8.14 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 0.00 0.00 0.00 68 K 7.74 4.59 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.38 7.81 69 H 8.48 4.10 0.00 3.71 3.80 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.90 4.15 0.00 2.59 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 71 V 8.21 3.66 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 0.88 0.00 0.00 1.06 0.00 0.00 72 A 7.77 4.00 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 73 Q 7.89 4.44 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.23 0.00 74 R 7.50 3.97 0.00 1.88 2.00 0.00 3.32 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 75 L 8.19 4.15 0.00 1.85 1.67 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.45 4.04 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 77 Q 8.06 4.02 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 78 R 8.04 4.01 0.00 2.06 2.25 0.00 3.30 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 79 V 7.95 4.22 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 1.02 0.00 0.00 1.07 0.00 0.00 80 T 8.03 3.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 81 A 8.05 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.09 4.01 2.00 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 2.07 1.11 0.60 0.00 0.00 83 M 8.44 4.14 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 84 R 7.70 3.80 0.00 1.69 1.62 0.00 3.21 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 85 Y 7.68 4.17 0.00 3.26 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 86 A 8.43 3.74 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.92 3.49 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 0.93 0.00 0.00 1.01 0.00 0.00 88 Q 8.02 4.05 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 89 N 8.56 4.74 0.00 3.20 3.17 0.00 0.00 7.18 7.73 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 90 D 7.65 4.47 0.00 2.89 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 91 Y 7.55 4.68 0.00 3.08 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 92 I 7.09 4.20 1.79 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 1.00 0.71 0.67 0.00 0.00 93 D 8.21 4.69 0.00 2.82 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 94 S 7.54 4.54 0.00 3.85 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 95 N 8.04 4.85 0.00 2.71 2.61 0.00 0.00 6.86 7.84 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 96 P 0.00 4.14 0.00 2.22 2.21 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 97 A 7.53 4.70 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 98 S 8.16 4.99 0.00 3.83 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 99 D 7.45 4.55 0.00 2.73 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.70 3.04 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 101 A 8.28 3.71 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 0.00 102 G 9.10 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 0.00 103 A 8.57 3.51 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 0.00 104 L 8.37 4.11 0.00 1.71 1.70 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.16 4.53 0.00 3.83 3.68 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 0.00 0.00 0.00 0.00 106 T 7.54 4.35 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 0.00 107 T 8.18 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 108 K 8.28 4.39 0.00 1.71 1.79 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.49 7.81 109 A 8.61 4.32 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 0.00 110 R 7.74 3.61 0.00 1.90 1.93 0.00 3.25 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 111 H 8.17 4.52 0.00 3.15 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.49 3.46 0.00 2.99 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 0.00 113 P 0.00 4.41 0.00 2.13 1.98 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 114 L 8.79 4.47 0.00 1.59 1.59 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.86 4.14 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 116 H 8.08 4.89 0.00 3.03 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.07 4.84 0.00 3.25 3.23 0.00 5.58 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 0.00 118 H 8.71 4.54 0.00 3.04 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.81 4.45 0.00 3.25 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.17 4.32 0.00 2.98 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.89 4.44 0.00 3.12 3.09 0.00 5.81 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