NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2830 8.3049 118.1929 53.3488 33.3956 176.3932 2 L 3.4230 7.8967 119.0749 52.9434 40.0592 170.5412 3 T 4.2987 7.7476 106.8204 61.5053 72.0916 172.5531 4 D 4.6606 7.6404 127.6956 50.9660 42.0901 175.2590 5 P 4.7867 0.0000 0.0000 65.0938 31.2390 178.6142 6 I 3.6889 7.8669 117.7225 64.2109 36.6208 177.7315 7 A 3.9644 8.5361 122.2830 55.5897 18.3205 179.5604 8 D 4.3385 7.8251 116.5513 56.3116 39.4448 178.4403 9 M 3.9390 7.9300 119.9594 58.7422 32.3953 178.0427 10 L 3.9591 8.2798 119.4495 58.2540 41.7052 179.8980 11 T 3.8902 7.5261 115.0367 66.2878 68.3023 176.7597 12 R 3.8854 7.8698 120.1413 59.4892 30.1047 178.8461 13 I 3.6176 7.4296 118.6568 64.6110 37.1335 178.0311 14 R 3.8182 7.9199 119.1076 59.8522 29.6355 178.0826 15 N 4.2505 8.4893 115.6294 56.1909 38.8996 177.1566 16 A 4.1174 8.1950 122.3463 55.4239 18.6085 179.5395 17 T 3.9726 8.5079 108.6274 65.4012 68.3487 176.4280 18 R 3.6708 7.8027 119.6118 58.1956 30.1449 178.3450 19 V 4.1209 7.3767 108.9320 59.8139 33.6521 174.8720 20 Y 3.3929 6.9642 115.3428 57.9762 34.8260 169.3059 21 K 4.4970 7.6452 119.3264 54.9908 34.6784 177.4899 22 E 4.2038 8.9045 121.6612 59.0436 29.7723 176.3777 23 S 5.0045 7.3577 109.1702 58.4077 65.3373 174.9856 24 T 4.7420 8.0981 115.4776 62.2740 73.0773 173.2869 25 D 5.8500 8.5182 123.1844 52.4434 44.0479 176.0877 26 V 4.2851 8.4969 114.2584 60.3303 34.0115 169.9854 27 P 3.5766 0.0000 0.0000 62.0890 31.6007 175.7847 28 A 4.2686 8.4719 127.5252 52.2367 19.0573 176.9551 29 S 4.5583 8.4719 114.6491 55.7428 65.9806 174.9286 30 R 3.8668 8.8613 122.5291 60.0883 29.6256 178.6277 31 F 4.0319 8.2131 119.4965 61.2252 39.4332 176.9686 32 K 3.8538 8.1269 118.0138 59.3918 31.6886 179.0379 33 E 3.5139 7.9093 118.2398 59.4170 29.4810 178.9077 34 E 3.7955 7.6433 118.3146 59.6446 29.5167 179.5266 35 I 3.4855 7.4760 119.5312 64.6286 37.3646 178.6101 36 L 4.0693 7.8550 119.6286 57.3442 41.2979 179.4473 37 R 3.9556 8.4289 120.0362 59.7200 29.9969 178.5051 38 I 3.9651 7.7785 118.9964 63.4939 37.3609 177.3385 39 L 4.3194 8.4651 119.8172 56.2937 41.7456 177.6239 40 A 4.5455 7.8632 119.1180 53.7978 20.4964 178.3341 41 R 3.8519 7.7375 116.9270 59.6647 30.1930 177.7096 42 E 4.0749 8.1088 115.4748 57.4438 29.9273 176.7360 43 G 3.7901 8.1967 106.7356 46.1107 0.0000 172.6614 44 F 4.8185 8.8874 118.2893 56.6080 41.0787 175.3518 45 I 4.7392 7.4847 113.4264 58.4791 40.1884 176.6786 46 K 4.1405 9.0040 122.5224 57.7600 32.6070 178.0655 47 G 3.9643 6.3978 102.0885 46.6898 0.0000 170.4570 48 Y 6.0604 7.7788 116.4008 57.7816 40.6094 173.2942 49 E 4.6849 8.3807 114.8595 55.2958 32.4949 175.0587 50 R 4.7326 8.8006 121.3493 56.4495 30.8758 176.0560 51 V 4.7418 8.3215 123.4558 61.2578 35.4948 172.7506 52 D 4.9525 8.7173 117.6800 52.8205 43.7553 176.8030 53 V 4.1167 7.9184 124.6527 61.6695 31.6560 174.0283 54 D 4.3703 8.7440 124.8343 55.1140 37.7918 174.2316 55 G 3.8649 8.7330 101.1502 46.1640 0.0000 172.6613 56 K 4.3897 7.4733 119.4073 53.2672 33.2913 173.4162 57 P 4.5237 0.0000 0.0000 63.9209 32.2961 175.0343 58 Y 4.9330 8.4423 125.4446 56.3548 41.8515 174.5519 59 L 4.7678 8.4257 119.6169 54.1168 46.0646 176.4240 60 R 4.1788 8.8403 124.8559 55.5228 30.9439 176.4426 61 V 4.3920 8.5228 126.7003 61.7175 32.6731 174.5683 62 Y 4.6141 8.6663 127.5212 57.4039 38.7086 175.5310 63 L 4.4867 8.5624 125.1054 54.2130 42.8293 176.3581 64 K 4.6313 8.2006 122.3961 55.1588 34.8144 174.5463 65 Y 4.9089 8.3770 122.2223 56.8699 42.8352 173.4044 66 G 4.4422 8.5714 107.8708 44.0709 0.0000 171.7079 67 P 4.6806 0.0000 0.0000 62.2121 32.7418 176.0010 68 R 4.0916 8.4956 121.3329 56.7379 30.8519 175.6377 69 R 4.6896 8.3696 123.5328 54.7008 32.7550 176.0803 70 Q 4.1648 8.6236 122.0231 56.1027 30.4338 176.0940 71 G 3.8702 8.6192 107.6162 43.9736 0.0000 171.3111 72 P 3.9742 0.0000 0.0000 64.1451 31.3774 175.1327 73 D 4.2835 8.7823 124.2623 53.6522 38.5679 171.0133 74 P 4.8564 0.0000 0.0000 62.3830 28.6850 174.5949 75 R 4.3023 7.8878 123.7622 54.9777 30.9202 174.5746 76 P 4.3813 0.0000 0.0000 62.5992 31.7854 176.2057 77 E 4.0815 8.5820 122.5624 56.5855 30.2307 175.5910 78 Q 4.9541 8.4223 123.1023 54.2988 29.8516 175.9897 79 V 3.8221 8.7085 123.6675 65.8783 31.9344 176.8905 80 I 4.2994 7.3563 121.4470 59.3346 35.6216 174.4526 81 H 4.0426 8.3555 120.8087 58.8200 29.3187 175.4958 82 H 4.3000 7.9601 115.9847 55.0119 33.6952 172.6858 83 I 4.6956 7.6913 125.1594 58.7747 40.5490 173.8509 84 R 4.6112 9.0391 129.4291 54.3896 33.6525 174.5226 85 R 4.2743 8.6584 125.4013 56.4253 31.0901 175.0131 86 I 4.1993 8.1847 122.3414 63.0599 39.0237 177.2803 87 S 4.3782 7.6867 119.2279 57.4379 60.7519 173.3850 88 K 4.3852 8.2084 127.0975 54.1170 33.0523 176.7571 89 P 4.2028 0.0000 0.0000 65.5003 31.3635 178.2058 90 G 3.5379 8.1416 107.5315 47.8087 0.0000 173.9956 91 R 4.2601 7.3849 126.3826 53.3968 30.0933 174.2437 92 R 3.7047 8.2441 123.7034 56.0076 30.1779 177.0785 93 V 3.9241 8.1981 125.2893 61.8491 32.2846 173.9148 94 Y 5.1613 8.2188 125.9503 56.4424 39.6095 175.8479 95 V 4.5434 8.5662 116.9328 59.4733 35.5215 175.6548 96 G 4.1034 9.0759 110.9933 45.0708 0.0000 175.4412 97 V 3.8488 8.5471 119.0333 64.7399 31.5374 178.3827 98 K 4.4465 7.7056 119.1771 55.3416 31.8121 177.1718 99 E 4.6581 7.9698 115.4556 56.1019 33.5687 176.8563 100 I 3.6527 7.2367 118.2231 61.1745 37.4869 174.3018 101 P 4.3981 0.0000 0.0000 62.6101 31.7932 176.6552 102 R 4.3119 7.9883 119.6304 53.8408 30.1185 175.2749 103 V 3.2284 7.8369 123.6423 63.8290 32.4388 176.4503 104 R 3.3587 9.0448 129.9997 58.3294 28.4484 175.7888 105 R 3.9940 8.7482 111.5018 57.4139 28.2028 176.3631 106 G 4.2562 8.2945 105.7480 45.7863 0.0000 174.7669 107 L 4.0145 7.4549 118.2391 56.8756 41.7607 176.6874 108 G 4.4812 7.8980 104.7546 44.3587 0.0000 172.3608 109 I 5.2720 9.2449 118.2555 58.3405 40.7089 174.2775 110 A 5.0775 8.7279 129.7178 49.7970 20.2770 174.3870 111 I 4.1161 8.4101 121.6768 62.0839 37.9734 175.3228 112 L 5.2070 8.5350 127.1424 54.1379 44.8411 175.9302 113 S 4.9495 9.2659 116.6438 57.1158 62.5415 173.6755 114 T 4.8837 8.3222 117.6127 61.0331 69.6502 174.7244 115 S 4.4624 8.1845 114.5240 59.0818 63.2007 174.5433 116 K 4.6100 8.8153 119.9678 54.9576 34.2096 175.8582 117 G 3.8269 7.1132 105.1496 44.5365 0.0000 172.9093 118 V 4.8637 7.9992 123.9816 61.2323 34.2665 175.4852 119 L 5.1781 8.4206 126.3813 52.9487 46.6826 175.9473 120 T 4.4152 8.3343 111.4867 60.7844 70.3528 175.4036 121 D 4.3498 8.2586 119.2585 56.5552 38.8663 178.7553 122 R 4.1248 7.8083 118.0869 58.2777 30.7995 178.2246 123 E 3.9587 8.5616 118.5894 59.5904 29.4760 179.4004 124 A 4.0359 8.3652 120.9186 55.0247 18.5120 179.7545 125 R 3.8251 7.3945 114.6060 59.2363 29.9613 178.5134 126 K 3.8926 8.1605 118.7629 59.7318 32.3696 178.6563 127 L 4.1237 7.7637 117.2154 55.2810 42.5463 176.6292 128 G 3.6769 8.3812 105.5520 45.6284 0.0000 172.3653 129 V 4.5484 7.8990 109.6997 60.0932 36.9488 175.5774 130 G 4.2104 8.2120 108.1310 44.6897 0.0000 171.4512 131 G 4.2462 7.6945 103.1037 45.8466 0.0000 171.7488 132 E 4.6151 8.2414 121.4626 56.0114 30.6951 176.8878 133 L 4.4660 8.7514 130.3255 55.0572 40.9802 177.1219 134 I 3.8528 8.5358 125.6256 62.7285 38.0999 175.3046 135 C 4.9816 8.2540 114.5019 57.8762 32.9596 171.5235 136 E 5.2903 8.3066 116.9781 54.7342 32.7196 175.2068 137 V 4.6610 8.9631 120.3834 61.2110 35.6243 174.8540 138 W 4.7090 8.4814 123.8433 57.2764 28.2500 174.1229 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 4.28 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 2 L 7.90 3.42 0.00 1.86 1.72 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.75 4.30 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 1.19 0.00 0.00 4 D 7.64 4.66 0.00 2.71 2.56 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 0.00 0.00 0.00 0.00 5 P 0.00 4.79 0.00 2.18 2.07 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 6 I 7.87 3.69 2.12 0.00 0.00 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 1.75 1.02 0.98 0.00 0.00 7 A 8.54 3.96 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 8 D 7.83 4.34 0.00 2.95 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 9 M 7.93 3.94 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 10 L 8.28 3.96 0.00 1.63 1.64 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.53 3.89 4.41 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 1.18 0.00 0.00 12 R 7.87 3.89 0.00 1.89 1.99 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 13 I 7.43 3.62 1.99 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 1.34 0.65 0.81 0.00 0.00 14 R 7.92 3.82 0.00 1.93 1.98 0.00 3.05 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 15 N 8.49 4.25 0.00 2.73 2.85 0.00 0.00 7.14 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 16 A 8.20 4.12 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 17 T 8.51 3.97 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 1.16 0.00 0.00 18 R 7.80 3.67 0.00 1.94 1.95 0.00 3.03 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 19 V 7.38 4.12 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 0.77 0.00 0.00 0.97 0.00 0.00 20 Y 6.96 3.39 0.00 3.00 2.51 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 21 K 7.65 4.50 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.38 7.81 22 E 8.90 4.20 0.00 2.12 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 2.48 2.52 0.00 23 S 7.36 5.00 0.00 3.60 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 24 T 8.10 4.74 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 1.21 0.00 0.00 25 D 8.52 5.85 0.00 2.54 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 26 V 8.50 4.29 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 0.70 0.00 0.00 0.88 0.00 0.00 27 P 0.00 3.58 0.00 1.74 1.77 0.00 3.54 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 28 A 8.47 4.27 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 29 S 8.47 4.56 0.00 3.98 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 30 R 8.86 3.87 0.00 1.98 2.07 0.00 3.26 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 31 F 8.21 4.03 0.00 3.13 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 32 K 8.13 3.85 0.00 1.99 1.77 0.00 1.79 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.52 7.81 33 E 7.91 3.51 0.00 2.21 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 2.37 2.57 0.00 34 E 7.64 3.80 0.00 1.62 1.69 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 2.23 2.36 0.00 35 I 7.48 3.49 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.81 0.00 0.00 36 L 7.85 4.07 0.00 0.88 1.40 0.54 0.97 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 37 R 8.43 3.96 0.00 1.92 2.04 0.00 3.09 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 38 I 7.78 3.97 1.83 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 1.39 0.46 0.93 0.00 0.00 39 L 8.47 4.32 0.00 1.91 1.64 0.84 0.82 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 40 A 7.86 4.55 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 41 R 7.74 3.85 0.00 2.04 2.13 0.00 3.27 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 42 E 8.11 4.07 0.00 2.18 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 2.40 2.50 0.00 43 G 8.20 3.79 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 0.00 0.00 0.00 44 F 8.89 4.82 0.00 3.22 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 45 I 7.48 4.74 1.96 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 1.66 1.16 0.99 0.00 0.00 46 K 9.00 4.14 0.00 2.00 1.94 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.51 1.46 7.81 47 G 6.40 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 48 Y 7.78 6.06 0.00 3.08 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 49 E 8.38 4.68 0.00 1.99 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 2.46 2.41 0.00 50 R 8.80 4.73 0.00 1.75 1.99 0.00 3.29 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 51 V 8.32 4.74 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 1.01 0.00 0.00 1.07 0.00 0.00 52 D 8.72 4.95 0.00 2.63 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 53 V 7.92 4.12 1.79 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 0.65 0.00 0.00 0.25 0.00 0.00 54 D 8.74 4.37 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 55 G 8.73 3.86 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 0.00 0.00 0.00 56 K 7.47 4.39 0.00 2.10 1.97 0.00 1.90 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.65 7.81 57 P 0.00 4.52 0.00 2.08 2.07 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 58 Y 8.44 4.93 0.00 2.86 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 59 L 8.43 4.77 0.00 1.73 1.60 0.93 1.10 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 60 R 8.84 4.18 0.00 1.71 1.17 0.00 2.94 0.00 0.00 2.91 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 61 V 8.52 4.39 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 0.96 0.00 0.00 0.91 0.00 0.00 62 Y 8.67 4.61 0.00 3.02 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 63 L 8.56 4.49 0.00 1.65 1.16 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.20 4.63 0.00 1.71 1.59 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 65 Y 8.38 4.91 0.00 3.04 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 66 G 8.57 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 0.00 0.00 0.00 0.00 67 P 0.00 4.68 0.00 2.14 2.20 0.00 3.75 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 2.09 1.98 0.00 68 R 8.50 4.09 0.00 1.80 1.84 0.00 3.16 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 69 R 8.37 4.69 0.00 1.85 1.79 0.00 3.34 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 70 Q 8.62 4.16 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.67 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 71 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 72 P 0.00 3.97 0.00 2.05 2.05 0.00 3.84 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 2.04 2.11 0.00 73 D 8.78 4.28 0.00 2.79 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 74 P 0.00 4.86 0.00 2.05 2.09 0.00 3.39 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 1.94 1.81 0.00 75 R 7.89 4.30 0.00 1.73 1.98 0.00 3.36 0.00 0.00 3.73 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 76 P 0.00 4.38 0.00 1.71 1.76 0.00 3.34 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.05 0.00 77 E 8.58 4.08 0.00 2.18 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 2.40 2.45 0.00 78 Q 8.42 4.95 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.26 0.00 79 V 8.71 3.82 2.25 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 0.86 0.00 0.00 0.93 0.00 0.00 80 I 7.36 4.30 1.78 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 1.35 0.73 0.65 0.00 0.00 81 H 8.36 4.04 0.00 3.08 3.14 0.00 5.93 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 82 H 7.96 4.30 0.00 2.53 1.51 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.69 4.70 1.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.62 0.71 0.00 0.00 84 R 9.04 4.61 0.00 1.79 1.81 0.00 3.17 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 85 R 8.66 4.27 0.00 1.79 1.78 0.00 3.24 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 86 I 8.18 4.20 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.07 0.90 0.00 0.00 87 S 7.69 4.38 0.00 3.82 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 88 K 8.21 4.39 0.00 1.77 1.66 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 89 P 0.00 4.20 0.00 2.13 2.15 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 90 G 8.14 3.54 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 0.00 0.00 0.00 91 R 7.38 4.26 0.00 1.75 1.76 0.00 3.06 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 92 R 8.24 3.70 0.00 1.58 1.37 0.00 3.52 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 93 V 8.20 3.92 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 0.91 0.00 0.00 0.97 0.00 0.00 94 Y 8.22 5.16 0.00 2.92 2.81 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 0.00 0.00 0.00 0.00 95 V 8.57 4.54 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 1.03 0.00 0.00 96 G 9.08 4.10 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 0.00 0.00 0.00 97 V 8.55 3.85 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 0.82 0.00 0.00 1.00 0.00 0.00 98 K 7.71 4.45 0.00 1.77 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.45 7.81 99 E 7.97 4.66 0.00 2.09 1.93 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 2.25 2.28 0.00 100 I 7.24 3.65 1.88 0.00 0.00 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 1.32 0.81 0.99 0.00 0.00 101 P 0.00 4.40 0.00 2.03 1.97 0.00 3.64 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 2.03 2.10 0.00 102 R 7.99 4.31 0.00 1.70 1.84 0.00 3.25 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 103 V 7.84 3.23 2.17 0.00 0.00 0.00 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 0.98 0.00 0.00 104 R 9.04 3.36 0.00 1.06 1.52 0.00 3.11 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.29 0.00 105 R 8.75 3.99 0.00 1.89 1.90 0.00 3.39 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 106 G 8.29 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 0.00 0.00 0.00 0.00 107 L 7.45 4.01 0.00 1.81 1.84 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.90 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.24 5.27 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 2.10 1.15 0.00 0.00 110 A 8.73 5.08 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 0.00 111 I 8.41 4.12 1.85 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 1.27 0.68 0.84 0.00 0.00 112 L 8.53 5.21 0.00 1.82 1.73 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.27 4.95 0.00 4.30 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 0.00 114 T 8.32 4.88 4.27 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 1.24 0.00 0.00 115 S 8.18 4.46 0.00 4.11 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 0.00 116 K 8.82 4.61 0.00 1.73 1.76 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.51 7.81 117 G 7.11 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 0.00 118 V 8.00 4.86 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 0.80 0.00 0.00 0.83 0.00 0.00 119 L 8.42 5.18 0.00 1.58 1.49 0.97 0.51 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 0.00 120 T 8.33 4.42 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 1.31 0.00 0.00 121 D 8.26 4.35 0.00 2.87 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 0.00 122 R 7.81 4.12 0.00 1.88 2.01 0.00 3.15 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 123 E 8.56 3.96 0.00 2.10 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 2.35 0.00 124 A 8.37 4.04 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 0.00 125 R 7.39 3.83 0.00 1.97 2.09 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 126 K 8.16 3.89 0.00 1.76 2.00 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 127 L 7.76 4.12 0.00 1.68 1.73 0.93 1.08 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 0.00 128 G 8.38 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 0.00 0.00 0.00 129 V 7.90 4.55 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 0.65 0.00 0.00 1.00 0.00 0.00 130 G 8.21 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 0.00 0.00 0.00 0.00 131 G 7.69 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 0.00 132 E 8.24 4.62 0.00 2.26 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 2.28 2.23 0.00 133 L 8.75 4.47 0.00 1.79 1.55 0.93 0.79 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 0.00 134 I 8.54 3.85 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.10 1.03 0.00 0.00 135 C 8.25 4.98 0.00 3.10 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 0.00 136 E 8.31 5.29 0.00 2.21 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 0.00 2.29 2.33 0.00 137 V 8.96 4.66 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 -0.19 0.00 0.00 0.71 0.00 0.00 138 W 8.48 4.71 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