NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4858 8.2893 118.1930 55.2788 32.8078 173.8211 2 D 4.8501 9.0378 119.5373 49.1109 42.3955 173.5268 3 E 3.9696 9.5265 117.9078 59.9869 29.8975 180.4290 4 I 3.7378 8.0093 120.5682 64.2124 37.1474 178.0387 5 D 4.3538 8.2590 119.2842 57.3036 40.6295 178.4561 6 L 3.9671 7.7419 118.9584 58.1074 41.5353 179.9255 7 R 3.9176 7.9060 117.4363 59.1409 29.9644 179.2238 8 I 3.7956 7.7134 119.5684 64.4935 37.1119 178.4411 9 L 4.0119 8.3538 120.1673 57.7584 41.2304 179.5535 10 K 4.1345 8.2221 118.6646 59.0988 32.2344 178.6189 11 I 4.1570 7.3403 118.7802 64.1888 36.5611 178.2002 12 L 4.4016 8.1475 119.8034 57.6181 41.1596 179.4719 13 Q 4.1158 8.3449 117.0626 58.5060 28.6106 177.3191 14 Y 4.5402 7.2395 114.5290 58.3363 38.9240 175.4628 15 N 4.6436 8.5577 119.4795 52.2511 40.5322 173.5153 16 A 4.5178 8.6447 128.0250 52.7006 19.2926 177.1575 17 K 4.5166 7.9781 115.0872 56.2828 32.5806 176.2637 18 Y 4.5955 7.7335 116.0889 57.1802 39.3168 176.3786 19 S 4.5086 8.8976 118.1746 57.9504 65.4625 175.5466 20 L 4.0397 8.4309 122.5740 57.9662 41.3041 179.5256 21 D 4.3343 8.0417 118.3807 57.5265 41.0317 178.2627 22 E 3.9050 8.0390 118.5621 59.6376 29.4016 179.8138 23 I 3.5726 7.6715 119.0389 64.2118 37.2835 178.1902 24 A 3.9549 8.4413 121.9814 55.3743 17.9309 179.7390 25 R 3.8541 8.6315 117.3954 59.1568 29.8497 178.4905 26 E 3.7973 7.6540 118.4075 59.1639 29.9263 178.4103 27 I 3.8709 7.7385 110.2691 61.0523 38.2967 175.4351 28 R 3.8634 7.5571 119.0455 57.4582 27.4453 175.6970 29 I 4.7468 7.5494 108.9016 57.2045 41.2326 173.7599 30 P 4.3566 0.0000 0.0000 62.7247 32.8355 177.1579 31 K 3.8840 8.8031 121.6211 59.9525 32.0150 179.1426 32 S 4.1714 8.0170 113.9468 61.5808 63.0245 176.5077 33 T 4.0013 7.8716 119.0396 66.1016 68.2104 176.3581 34 L 3.9336 7.9898 122.3558 58.3261 42.2404 178.7787 35 S 4.1059 8.3082 113.2806 61.6295 62.1765 175.6268 36 Y 4.0551 8.0862 121.9414 60.8795 38.5734 178.0658 37 R 3.7008 8.2726 119.1626 59.2549 30.1281 179.2163 38 I 3.6961 8.1026 119.8440 64.3869 37.0941 178.6413 39 K 4.3050 7.9436 120.6465 58.5893 31.7692 179.2732 40 K 3.6743 7.9537 120.2832 59.5776 32.0997 178.7972 41 L 3.9341 8.0903 119.4815 57.8185 41.3174 179.5903 42 E 4.2394 8.0498 119.8344 58.6953 29.2366 179.2572 43 K 3.9648 7.9001 117.4234 59.6856 32.3069 178.5184 44 D 4.6455 8.0118 115.1490 54.1997 40.6621 176.9181 45 G 3.8856 7.8988 107.6140 46.4255 0.0000 175.5664 46 V 3.5726 8.3145 121.7567 64.8706 31.6644 176.3314 47 I 4.1110 7.4404 122.3961 59.7007 37.2661 176.1801 48 K 4.0853 8.5016 125.1199 56.0421 32.5360 177.0616 49 G 3.8121 6.1484 106.6137 45.5342 0.0000 170.7913 50 Y 4.3941 7.9217 116.0108 56.1031 40.8304 175.0207 51 Y 5.1300 8.2032 120.2230 56.0403 41.8202 174.6442 52 A 4.4017 8.5383 124.5966 51.3851 19.8679 176.7775 53 Y 4.5200 8.5755 124.2668 56.6920 38.6039 174.4568 54 I 3.9963 7.8366 128.5655 59.1446 38.6949 175.3322 55 N 4.0887 8.1504 123.8933 52.7299 39.2902 173.6837 56 P 4.1837 0.0000 0.0000 65.4431 31.3045 178.4272 57 A 3.9836 7.9001 119.2548 55.3737 18.1713 179.5599 58 S 3.6229 7.5461 112.1281 60.8584 61.9975 175.4709 59 L 4.4959 7.6590 119.9849 53.8059 41.7786 176.3708 60 N 4.1717 8.8520 116.2502 54.4493 36.4976 174.5394 61 L 4.5304 7.1140 116.7913 54.2162 40.0071 175.7772 62 D 4.5308 8.2356 121.4831 55.2192 42.9507 175.1914 63 Y 4.2290 8.8049 121.0337 56.2634 38.9595 173.1454 64 I 4.8000 7.7234 126.1304 59.5764 39.5303 175.0274 65 V 4.7639 8.5945 119.3450 59.5112 36.2047 175.0424 66 I 4.4787 8.6192 123.4629 60.1489 40.1420 174.3217 67 T 5.0929 8.9570 125.0161 61.8450 71.0368 173.9863 68 S 5.1553 9.2229 123.2191 57.4156 65.0009 173.3085 69 V 4.8996 9.1448 124.6600 61.0585 34.5804 174.0618 70 K 5.2257 9.4147 127.1245 54.8094 34.1923 175.4820 71 A 5.0403 9.8249 127.5225 50.5959 20.7227 176.7967 72 K 4.3555 8.7066 120.5322 56.1566 32.6084 177.3526 73 Y 4.0694 8.9264 123.1166 58.8126 38.6184 174.3825 74 G 3.8976 9.7713 107.8239 44.1678 0.0000 175.5332 75 K 3.6430 8.0185 119.2067 58.0174 31.6490 175.5317 76 N 4.8035 8.5107 124.5620 54.2705 39.3673 175.5910 77 A 3.9650 7.8230 121.1658 55.6488 18.2759 180.1688 78 H 4.0680 8.1944 113.6906 59.0996 28.8108 178.0846 79 V 3.5674 7.6535 119.3425 65.8884 31.3995 177.6713 80 E 3.8564 7.9801 117.9707 59.3019 29.2984 178.9780 81 L 3.8294 8.1378 120.7001 58.0587 42.2396 178.8978 82 G 3.2377 7.6405 105.4757 48.0519 0.0000 175.2999 83 N 4.3305 7.8177 118.5364 55.8219 38.3249 177.8138 84 K 3.9999 7.8724 119.0127 59.2081 32.2050 179.1382 85 L 4.0227 7.9697 119.4954 57.5364 41.3407 179.2073 86 A 4.0201 7.6519 119.1655 54.5299 18.3667 178.8659 87 Q 4.2587 7.4527 113.8330 56.0052 29.5011 176.3020 88 I 3.9092 7.1168 123.1657 60.1115 37.6176 173.8416 89 P 4.5083 0.0000 0.0000 64.3423 31.8813 176.2308 90 G 3.7808 9.1958 110.7211 45.1733 0.0000 173.1067 91 V 4.3526 7.5281 120.0405 61.9956 31.6746 175.2801 92 W 4.8291 8.3732 123.8610 56.2348 29.9643 176.0961 93 G 3.6723 7.1104 108.0106 44.3512 0.0000 171.7961 94 V 4.8735 7.6223 123.6954 61.4007 34.5208 173.8189 95 Y 4.9599 9.1413 125.1330 56.1939 41.7505 174.1879 96 F 4.9739 9.1013 126.2293 57.2566 40.3534 175.0452 97 V 4.3439 7.9824 118.8341 59.2932 35.5875 175.0738 98 L 4.2509 8.6154 122.3213 52.3721 43.0109 177.6426 99 G 3.8838 7.7803 111.1574 46.5457 0.0000 172.0263 100 D 4.6347 8.3537 120.8340 54.9125 41.5943 175.8532 101 N 5.2061 7.7288 115.7448 51.5185 42.1080 173.8995 102 D 4.6336 8.8364 120.3494 56.3960 42.5185 176.4662 103 F 6.1495 8.5430 115.7178 54.6873 43.3277 174.2853 104 I 5.0151 8.6660 121.6501 59.6133 40.2635 174.4148 105 V 4.8331 9.2496 127.3913 61.3487 34.2724 173.8819 106 M 4.7919 8.5966 127.7602 53.5861 33.8645 175.0450 107 A 5.0681 8.4364 123.9928 50.5936 23.5105 174.8225 108 R 5.0776 8.1525 117.0792 54.9547 34.3278 174.5383 109 Y 4.9698 8.8950 118.9234 56.5457 42.5843 176.6337 110 K 4.8716 9.5097 120.8502 59.1036 32.4955 177.8044 111 T 4.7370 7.5179 107.2236 59.0162 73.1699 174.4918 112 R 2.5141 7.9880 119.5014 59.0857 29.8638 177.9320 113 E 3.8632 7.9445 117.8173 59.4186 29.5172 178.6635 114 E 3.8441 7.8880 118.7310 59.2587 29.6694 178.5661 115 F 3.2490 7.9958 120.4463 61.3317 39.3475 176.9774 116 M 3.6225 8.1229 118.4255 58.2360 31.5451 178.4870 117 E 3.7907 7.9857 118.2573 59.1713 29.9590 178.5377 118 K 4.0712 8.2406 117.5330 58.7274 32.4353 177.5345 119 F 4.3341 7.6340 118.8900 59.4937 40.4266 176.9899 120 L 3.6965 7.0395 118.8261 58.4804 41.6989 178.9068 121 E 3.8300 7.9265 117.4015 59.5138 29.7456 179.4865 122 R 3.9022 7.6305 117.2405 59.3435 30.2236 178.9799 123 V 3.3559 7.4621 117.9194 66.3003 31.2333 177.7928 124 M 4.1915 7.9694 116.8557 57.0752 31.8520 177.6391 125 S 4.6297 7.5639 112.8367 57.4094 64.2840 174.2880 126 I 3.7640 7.0844 125.5521 60.6840 37.2123 174.4168 127 P 4.1604 0.0000 0.0000 65.8718 31.2626 177.4357 128 E 4.1223 8.0849 112.5374 57.0452 29.5700 175.6245 129 V 4.1534 7.4601 121.1534 62.6455 31.5820 175.2188 130 E 4.3183 9.5040 130.2101 58.8276 30.3213 176.4667 131 R 4.8881 7.6346 115.7251 55.4567 34.7219 173.9885 132 T 5.2300 8.4140 110.3552 60.2795 72.4904 173.4075 133 S 4.5563 9.2252 117.6592 57.3918 65.5956 172.4860 134 T 5.0087 8.7524 124.3216 62.2535 70.1611 174.1624 135 Q 4.5480 8.9445 126.0473 54.1049 30.9281 174.9789 136 V 3.9458 8.2150 124.9037 62.2167 32.5484 175.4283 137 V 3.8759 8.4850 129.2624 62.6417 31.1696 176.1683 138 V 3.9655 8.4087 121.2756 62.0310 32.3551 176.4076 139 K 4.2572 7.5466 119.4620 55.3870 34.7654 174.6682 140 I 4.2233 8.2419 127.8742 60.1026 36.7495 175.5663 141 I 3.9483 8.2273 127.4852 63.5097 37.4995 176.8925 142 K 4.3281 7.5817 116.9813 55.7998 34.6833 175.0840 143 E 4.6499 8.4402 126.1951 55.1932 30.9876 174.2151 144 S 4.6610 7.7727 122.0431 55.5723 63.5128 173.4649 145 P 4.3414 0.0000 0.0000 65.2763 31.6696 178.3959 146 N 4.2768 7.8913 115.5312 55.1437 37.2891 175.2352 147 I 3.9183 7.2699 120.0352 60.4454 35.7155 175.2981 148 V 4.0658 8.0439 118.4769 61.8684 32.5275 176.5220 149 I 4.0335 7.6779 120.5462 59.4116 37.8384 175.4350 150 F 4.6414 7.4997 119.8152 56.8349 37.8577 175.3135 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 8.29 4.49 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 2 D 9.04 4.85 0.00 2.89 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 3 E 9.53 3.97 0.00 2.20 2.26 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 2.36 2.41 0.00 4 I 8.01 3.74 2.13 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.92 0.00 0.00 5 D 8.26 4.35 0.00 2.81 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 6 L 7.74 3.97 0.00 1.91 1.70 0.88 0.74 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 7 R 7.91 3.92 0.00 2.04 1.97 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 8 I 7.71 3.80 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.12 0.94 0.00 0.00 9 L 8.35 4.01 0.00 1.78 1.71 0.89 0.92 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 10 K 8.22 4.13 0.00 1.91 2.02 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.75 7.81 11 I 7.34 4.16 2.12 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 1.50 0.64 1.03 0.00 0.00 12 L 8.15 4.40 0.00 1.76 1.84 1.03 0.89 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 13 Q 8.34 4.12 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.66 2.22 0.00 14 Y 7.24 4.54 0.00 3.20 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 15 N 8.56 4.64 0.00 2.54 2.49 0.00 0.00 7.23 7.51 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 16 A 8.64 4.52 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.52 0.00 1.78 1.74 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.49 7.81 18 Y 7.73 4.60 0.00 3.02 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 19 S 8.90 4.51 0.00 4.09 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 20 L 8.43 4.04 0.00 1.69 1.77 0.93 1.02 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 21 D 8.04 4.33 0.00 2.77 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 22 E 8.04 3.90 0.00 2.18 1.87 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 2.35 2.40 0.00 23 I 7.67 3.57 1.86 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 1.33 0.79 0.89 0.00 0.00 24 A 8.44 3.95 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 25 R 8.63 3.85 0.00 1.85 1.97 0.00 3.08 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 26 E 7.65 3.80 0.00 2.13 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 2.24 2.20 0.00 27 I 7.74 3.87 1.86 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 1.76 0.69 0.88 0.00 0.00 28 R 7.56 3.86 0.00 2.01 2.09 0.00 3.27 0.00 0.00 3.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 29 I 7.55 4.75 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 1.35 0.66 0.91 0.00 0.00 30 P 0.00 4.36 0.00 2.29 2.22 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 31 K 8.80 3.88 0.00 1.85 1.87 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.52 7.81 32 S 8.02 4.17 0.00 4.11 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 0.00 33 T 7.87 4.00 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 1.27 0.00 0.00 34 L 7.99 3.93 0.00 1.79 1.88 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.31 4.11 0.00 4.01 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 36 Y 8.09 4.06 0.00 3.16 3.18 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 0.00 0.00 0.00 0.00 37 R 8.27 3.70 0.00 2.12 1.95 0.00 3.35 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 38 I 8.10 3.70 2.01 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 1.55 0.78 0.98 0.00 0.00 39 K 7.94 4.31 0.00 1.85 1.82 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 40 K 7.95 3.67 0.00 1.15 1.57 0.00 1.44 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.40 7.81 41 L 8.09 3.93 0.00 1.82 1.66 0.90 0.79 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 42 E 8.05 4.24 0.00 2.17 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 2.35 2.51 0.00 43 K 7.90 3.96 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.61 7.81 44 D 8.01 4.65 0.00 2.60 2.68 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 45 G 7.90 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 46 V 8.31 3.57 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 0.75 0.00 0.00 0.90 0.00 0.00 47 I 7.44 4.11 1.75 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 1.29 0.50 0.42 0.00 0.00 48 K 8.50 4.09 0.00 1.66 1.83 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.33 7.81 49 G 6.15 3.81 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 0.00 0.00 0.00 50 Y 7.92 4.39 0.00 2.88 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 51 Y 8.20 5.13 0.00 2.94 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 52 A 8.54 4.40 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 53 Y 8.58 4.52 0.00 2.86 2.94 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 54 I 7.84 4.00 1.75 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 1.22 0.82 0.79 0.00 0.00 55 N 8.15 4.09 0.00 2.56 2.55 0.00 0.00 7.22 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 56 P 0.00 4.18 0.00 2.16 2.04 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 57 A 7.90 3.98 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 58 S 7.55 3.62 0.00 3.95 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 59 L 7.66 4.50 0.00 1.80 1.64 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.85 4.17 0.00 2.91 2.91 0.00 0.00 7.02 5.12 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 61 L 7.11 4.53 0.00 1.72 1.64 0.89 0.93 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 62 D 8.24 4.53 0.00 2.74 2.88 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 63 Y 8.80 4.23 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 4.80 1.80 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 1.31 0.75 0.96 0.00 0.00 65 V 8.59 4.76 1.91 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 0.31 0.00 0.00 0.88 0.00 0.00 66 I 8.62 4.48 1.84 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 1.20 0.82 0.90 0.00 0.00 67 T 8.96 5.09 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 S 9.22 5.16 0.00 3.81 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 69 V 9.14 4.90 2.32 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 1.12 0.00 0.00 1.06 0.00 0.00 70 K 9.41 5.23 0.00 1.77 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 71 A 9.82 5.04 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.71 4.36 0.00 1.69 1.83 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.75 1.46 7.81 73 Y 8.93 4.07 0.00 2.91 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 74 G 9.77 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 75 K 8.02 3.64 0.00 1.83 1.36 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.41 7.81 76 N 8.51 4.80 0.00 2.67 2.89 0.00 0.00 6.75 8.75 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 77 A 7.82 3.97 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 78 H 8.19 4.07 0.00 3.02 3.01 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.65 3.57 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 1.04 0.00 0.00 0.87 0.00 0.00 80 E 7.98 3.86 0.00 2.19 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 0.00 2.29 2.44 0.00 81 L 8.14 3.83 0.00 1.67 1.55 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.64 3.24 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 0.00 83 N 7.82 4.33 0.00 2.86 2.82 0.00 0.00 7.10 8.30 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 84 K 7.87 4.00 0.00 1.70 1.76 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.62 7.81 85 L 7.97 4.02 0.00 1.62 1.61 0.45 0.67 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 86 A 7.65 4.02 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 87 Q 7.45 4.26 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 88 I 7.12 3.91 2.08 0.00 0.00 0.62 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 0.80 1.10 0.00 0.00 89 P 0.00 4.51 0.00 2.18 2.09 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 90 G 9.20 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 0.00 0.00 0.00 91 V 7.53 4.35 2.32 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 0.85 0.00 0.00 1.27 0.00 0.00 92 W 8.37 4.83 0.00 3.39 3.11 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 93 G 7.11 3.67 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 0.00 0.00 0.00 94 V 7.62 4.87 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 0.86 0.00 0.00 0.84 0.00 0.00 95 Y 9.14 4.96 0.00 3.02 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 96 F 9.10 4.97 0.00 2.89 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 97 V 7.98 4.34 1.94 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 0.70 0.00 0.00 0.88 0.00 0.00 98 L 8.62 4.25 0.00 1.52 1.50 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.78 3.88 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 0.00 100 D 8.35 4.63 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 0.00 101 N 7.73 5.21 0.00 2.69 2.75 0.00 0.00 6.97 8.06 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 0.00 102 D 8.84 4.63 0.00 2.95 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 0.00 103 F 8.54 6.15 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 5.02 2.05 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 1.07 0.96 0.00 0.00 105 V 9.25 4.83 2.26 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 1.20 0.00 0.00 1.06 0.00 0.00 106 M 8.60 4.79 0.00 0.79 0.57 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.38 0.00 107 A 8.44 5.07 1.02 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 0.00 108 R 8.15 5.08 0.00 1.56 1.75 0.00 3.12 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 109 Y 8.90 4.97 0.00 3.10 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 0.00 110 K 9.51 4.87 0.00 2.00 1.93 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.79 1.42 7.81 111 T 7.52 4.74 4.19 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 1.24 0.00 0.00 112 R 7.99 2.51 0.00 1.38 1.73 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 113 E 7.94 3.86 0.00 2.05 1.94 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 2.37 2.39 0.00 114 E 7.89 3.84 0.00 2.07 2.20 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 2.50 2.40 0.00 115 F 8.00 3.25 0.00 3.20 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 0.00 116 M 8.12 3.62 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.01 0.00 117 E 7.99 3.79 0.00 1.86 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 0.00 2.25 2.28 0.00 118 K 8.24 4.07 0.00 1.50 1.86 0.00 1.90 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.46 7.81 119 F 7.63 4.33 0.00 2.96 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.04 3.70 0.00 1.03 1.45 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.93 3.83 0.00 1.86 1.91 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 2.26 2.43 0.00 122 R 7.63 3.90 0.00 1.86 1.73 0.00 3.02 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 1.61 1.59 0.00 123 V 7.46 3.36 1.64 0.00 0.00 0.00 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 -0.08 0.00 0.00 124 M 7.97 4.19 0.00 1.98 2.04 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 2.77 2.50 0.00 125 S 7.56 4.63 0.00 3.97 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 0.00 126 I 7.08 3.76 1.91 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 0.78 0.88 0.00 0.00 127 P 0.00 4.16 0.00 2.00 2.12 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 2.00 2.07 0.00 128 E 8.08 4.12 0.00 2.08 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 0.00 2.29 2.16 0.00 129 V 7.46 4.15 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 0.75 0.00 0.00 0.91 0.00 0.00 130 E 9.50 4.32 0.00 2.01 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 2.34 2.37 0.00 131 R 7.63 4.89 0.00 1.81 1.80 0.00 3.15 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 132 T 8.41 5.23 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 1.25 0.00 0.00 133 S 9.23 4.56 0.00 3.91 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 0.00 134 T 8.75 5.01 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 1.18 0.00 0.00 135 Q 8.94 4.55 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 136 V 8.22 3.95 1.91 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 0.31 0.00 0.00 0.65 0.00 0.00 137 V 8.48 3.88 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 0.79 0.00 0.00 0.90 0.00 0.00 138 V 8.41 3.97 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 0.67 0.00 0.00 0.89 0.00 0.00 139 K 7.55 4.26 0.00 1.65 1.62 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.44 7.81 140 I 8.24 4.22 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 1.43 0.70 0.95 0.00 0.00 141 I 8.23 3.95 1.86 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 1.29 0.33 0.90 0.00 0.00 142 K 7.58 4.33 0.00 1.64 1.60 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.33 7.81 143 E 8.44 4.65 0.00 1.91 1.75 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 2.06 2.31 0.00 144 S 7.77 4.66 0.00 3.75 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 0.00 145 P 0.00 4.34 0.00 2.17 2.19 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 146 N 7.89 4.28 0.00 2.70 2.87 0.00 0.00 6.06 7.81 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 0.00 147 I 7.27 3.92 1.78 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.52 0.99 0.00 0.00 148 V 8.04 4.07 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 0.73 0.00 0.00 0.90 0.00 0.00 149 I 7.68 4.03 2.00 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 1.37 0.50 0.82 0.00 0.00 150 F 7.50 4.64 0.00 3.11 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