NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2947 8.3044 120.3531 56.5513 33.0719 174.9572 2 F 4.4042 8.0001 127.4784 56.8862 39.3768 172.7962 3 A 4.1109 9.1395 127.6314 50.5255 23.7423 174.5699 4 I 5.1318 8.0003 121.9670 60.4353 38.1975 176.3312 5 V 4.5203 8.4114 127.2075 60.6447 34.2056 175.2636 6 K 4.5587 8.3512 121.7319 55.8507 34.4631 174.6389 7 T 4.4979 8.8355 121.5182 61.8643 70.7995 174.6634 8 G 4.3180 9.1314 113.3772 46.1969 0.0000 173.8506 9 G 3.7104 7.6594 105.9017 45.1042 0.0000 173.2916 10 K 4.7230 7.7705 120.1326 54.7658 35.1693 174.1386 11 Q 4.5978 7.7431 117.0000 55.5376 33.1850 173.5957 12 Y 4.7790 8.4667 116.5140 57.4416 43.3457 174.4716 13 R 4.9141 8.7244 120.9497 54.7609 30.6868 174.1337 14 V 4.3231 8.4133 117.5391 59.8902 34.1151 174.5685 15 E 4.8267 8.5420 123.1439 53.3986 32.8965 172.9047 16 P 4.1812 0.0000 0.0000 65.9604 31.4579 175.5612 17 G 4.1015 9.1216 115.0642 44.8824 0.0000 172.0280 18 L 4.6986 8.1971 122.7722 52.7963 44.3864 175.5780 19 K 4.8356 8.6274 125.8424 55.6862 33.3072 174.9998 20 L 4.4248 8.4760 128.5802 53.2821 44.0514 174.8681 21 R 4.8589 8.2723 127.0916 55.0243 31.2358 175.3258 22 V 4.6222 8.5488 125.2053 59.8711 35.6086 173.4765 23 E 4.3536 9.1074 121.7655 56.2206 30.2710 176.4295 24 K 4.7034 8.4570 123.5349 55.4774 32.2829 176.1262 25 L 4.5347 8.3513 126.7379 53.5776 43.4553 177.4360 26 D 4.6496 8.5173 122.7618 53.9351 39.3807 174.4821 27 A 4.8422 7.4568 122.7953 50.2057 22.9256 175.6996 28 E 4.5715 8.2198 118.3029 54.6246 30.9558 176.9030 29 P 4.7270 0.0000 0.0000 62.0686 30.5135 177.6461 30 G 4.1471 8.6788 106.3081 45.9422 0.0000 174.3349 31 A 4.0195 7.9485 122.3295 52.0325 19.4281 177.9463 32 T 4.9437 8.0233 120.4537 61.1493 66.7169 174.4497 33 V 3.6361 7.6367 123.3731 63.1902 33.2279 174.2742 34 E 5.1651 9.0661 128.8628 53.6010 31.1347 174.4605 35 L 4.7076 8.3958 127.6909 53.1156 42.4466 174.4382 36 P 4.4930 0.0000 0.0000 63.5013 30.8796 175.9457 37 V 4.1466 7.2061 126.1157 59.0239 33.1931 172.9585 38 L 4.1679 8.8596 134.9414 54.9125 41.4338 174.5998 39 L 4.6537 8.0235 118.0018 54.7251 46.4450 174.9569 40 L 4.3249 7.5550 117.9954 53.8965 46.3800 173.7887 41 G 4.0772 8.1947 106.4505 44.3551 0.0000 173.1630 42 G 4.1341 8.2770 108.1236 48.5767 0.0000 175.3245 43 E 4.4545 7.9292 119.9322 58.5512 29.8503 177.0455 44 K 3.5783 8.7875 119.1846 58.6244 34.6512 174.1698 45 T 3.4852 8.4204 106.4703 63.3608 68.6190 172.6609 46 V 4.2774 8.4378 122.4574 61.4327 31.7891 176.6753 47 V 3.8647 7.8075 122.4738 62.2565 29.2642 173.8710 48 G 3.7085 8.2409 115.5588 46.3920 0.0000 170.3865 49 T 3.7921 9.1843 119.8924 66.0376 66.9877 173.5932 50 P 4.3848 0.0000 0.0000 64.5822 32.8808 175.8602 51 V 4.3270 7.2133 117.0904 60.8964 34.3886 175.4625 52 V 3.8491 8.0767 127.7814 62.3351 31.0428 174.3663 53 E 3.8372 8.6677 125.9747 58.0304 29.5282 177.1580 54 G 4.2385 9.1347 115.2866 45.9620 0.0000 174.5306 55 A 4.2360 7.3011 122.2906 52.4290 18.9092 176.6444 56 S 4.7001 8.9486 115.8674 57.4734 66.4572 173.9810 57 V 4.6713 8.3280 114.4951 59.7033 34.6892 174.8972 58 V 4.3443 8.3840 124.1380 61.4578 33.2208 174.0602 59 A 5.5216 8.5705 129.7660 49.4528 22.4249 174.6376 60 E 4.5663 8.4492 118.9380 54.9812 31.2609 177.0970 61 V 3.0663 8.3560 125.0673 66.5664 30.9439 178.0282 62 L 3.5419 8.5936 123.0899 54.1390 41.4735 174.8723 63 G 4.2546 5.3800 100.9593 45.0754 0.0000 173.5782 64 H 5.5964 8.1924 117.8353 53.3641 30.5461 172.5620 65 G 4.4353 8.4513 109.5824 44.0349 0.0000 168.3478 66 R 4.8748 8.5043 116.8328 54.2944 30.7431 176.7100 67 G 4.1004 8.3159 111.8560 46.3534 0.0000 172.0275 68 K 4.4993 8.5101 118.8626 54.9301 32.9698 177.2678 69 K 4.5683 8.7881 125.3317 56.9129 31.8801 176.3957 70 I 3.7540 9.0176 129.1462 63.5189 36.7825 175.9033 71 L 4.1822 7.8071 128.4162 52.4954 41.0033 173.5133 72 V 3.1570 6.4115 118.1727 58.0362 33.5951 174.6176 73 S 4.7543 8.1685 118.3038 57.5062 66.4746 172.5732 74 K 4.8534 8.3564 118.0500 54.7506 34.9384 175.6397 75 F 5.2822 8.7502 123.9330 56.5146 42.7047 173.6890 76 K 4.5195 8.2575 124.3108 53.9168 34.9432 175.7863 77 A 3.8680 8.7540 128.2518 53.7124 19.3793 177.4652 78 K 3.8661 8.6198 119.4073 56.7038 31.3461 172.9060 79 V 4.1625 6.3923 119.4036 61.0614 39.2739 173.5621 80 Q 4.5839 5.9569 121.0874 55.6894 33.0356 171.5749 81 Y 5.4286 7.1267 118.0193 55.4949 41.1727 174.7971 82 R 4.4028 9.3136 118.9200 55.1913 33.8573 174.4844 83 R 4.3713 8.9654 117.1833 52.6527 32.7888 173.1540 84 K 3.5930 7.6751 126.7649 56.0070 33.3973 174.5907 85 K 4.2516 7.8816 125.4399 54.5216 34.5970 175.4974 86 G 4.0525 8.6592 109.2413 42.6963 0.0000 170.0407 87 H 4.1986 8.1109 125.5616 55.2341 30.5911 173.8026 88 R 4.7767 8.0476 122.7442 53.9263 32.3815 173.9953 89 Q 4.0120 8.4601 125.3735 55.2701 30.0140 173.4113 90 P 4.4614 0.0000 0.0000 63.1818 32.0557 175.6204 91 Y 5.2803 9.5249 122.0871 56.9449 41.8100 175.4856 92 T 4.9220 9.0233 117.5436 62.4520 71.7265 171.9577 93 E 4.7010 8.9427 127.9972 55.0966 31.5211 175.1965 94 L 5.3505 9.3548 127.0251 52.2787 46.0084 175.2687 95 L 5.1451 8.1606 120.6340 52.7114 43.6265 173.3952 96 I 3.7778 8.6270 125.1037 60.8830 38.1595 176.0861 97 K 4.5723 8.0781 132.2864 56.5955 31.1769 175.3248 98 E 4.3937 8.8648 123.3411 54.7397 37.4300 173.9338 99 I 3.1353 9.4381 135.0000 61.3429 35.1692 173.1957 100 R 4.5612 8.9744 122.2718 54.5152 32.1368 175.9274 101 G 3.6922 8.5881 110.8154 45.5608 0.0000 171.9512 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 4.29 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 2 F 8.00 4.40 0.00 3.41 3.01 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 3 A 9.14 4.11 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 0.00 0.00 0.00 0.00 0.00 4 I 8.00 5.13 1.83 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 0.96 1.31 0.95 0.00 0.00 5 V 8.41 4.52 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 0.89 0.00 0.00 1.02 0.00 0.00 6 K 8.35 4.56 0.00 1.72 1.71 0.00 1.97 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.61 7.81 7 T 8.84 4.50 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 1.40 0.00 0.00 8 G 9.13 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 0.00 0.00 0.00 0.00 9 G 7.66 3.71 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 0.00 0.00 0.00 10 K 7.77 4.72 0.00 1.51 1.48 0.00 1.52 0.00 0.00 1.89 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 11 Q 7.74 4.60 0.00 1.71 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 12 Y 8.47 4.78 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 13 R 8.72 4.91 0.00 1.92 1.92 0.00 3.31 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.06 0.00 14 V 8.41 4.32 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 0.85 0.00 0.00 0.98 0.00 0.00 15 E 8.54 4.83 0.00 1.96 1.83 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 2.31 2.38 0.00 16 P 0.00 4.18 0.00 2.07 2.13 0.00 3.78 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 2.01 2.07 0.00 17 G 9.12 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 18 L 8.20 4.70 0.00 1.91 1.52 0.96 0.51 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 19 K 8.63 4.84 0.00 1.74 1.80 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.37 7.81 20 L 8.48 4.42 0.00 1.65 1.37 0.69 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.27 4.86 0.00 1.57 1.42 0.00 3.18 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 22 V 8.55 4.62 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.14 0.00 0.00 23 E 9.11 4.35 0.00 2.09 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 2.35 2.45 0.00 24 K 8.46 4.70 0.00 1.72 1.71 0.00 1.53 0.00 0.00 2.25 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.24 7.81 25 L 8.35 4.53 0.00 1.73 1.61 0.94 1.14 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 26 D 8.52 4.65 0.00 2.65 2.63 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 27 A 7.46 4.84 1.20 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 0.00 0.00 0.00 28 E 8.22 4.57 0.00 2.08 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 2.35 2.38 0.00 29 P 0.00 4.73 0.00 2.03 2.06 0.00 3.67 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 2.04 2.08 0.00 30 G 8.68 4.15 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 0.00 0.00 0.00 31 A 7.95 4.02 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 32 T 8.02 4.94 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 1.27 0.00 0.00 33 V 7.64 3.64 2.07 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 0.94 0.00 0.00 0.93 0.00 0.00 34 E 9.07 5.17 0.00 2.00 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 0.00 2.20 2.29 0.00 35 L 8.40 4.71 0.00 1.70 1.66 0.93 0.73 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 36 P 0.00 4.49 0.00 2.20 2.17 0.00 3.74 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 2.00 2.01 0.00 37 V 7.21 4.15 2.07 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 0.84 0.00 0.00 1.05 0.00 0.00 38 L 8.86 4.17 0.00 1.84 1.63 0.88 0.68 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 39 L 8.02 4.65 0.00 1.56 1.59 0.99 0.62 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 40 L 7.55 4.32 0.00 1.34 1.32 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.19 4.08 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 0.00 0.00 0.00 42 G 8.28 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 43 E 7.93 4.45 0.00 1.98 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 2.31 2.25 0.00 44 K 8.79 3.58 0.00 2.02 2.11 0.00 1.68 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.38 7.81 45 T 8.42 3.49 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 1.22 0.00 0.00 46 V 8.44 4.28 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 0.72 0.00 0.00 0.90 0.00 0.00 47 V 7.81 3.86 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 0.72 0.00 0.00 0.93 0.00 0.00 48 G 8.24 3.71 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 0.00 0.00 0.00 49 T 9.18 3.79 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 50 P 0.00 4.38 0.00 2.03 2.02 0.00 3.61 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 2.02 2.06 0.00 51 V 7.21 4.33 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 0.80 0.00 0.00 0.93 0.00 0.00 52 V 8.08 3.85 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 0.86 0.00 0.00 0.98 0.00 0.00 53 E 8.67 3.84 0.00 1.88 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 2.32 2.46 0.00 54 G 9.13 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 0.00 0.00 0.00 55 A 7.30 4.24 1.25 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 56 S 8.95 4.70 0.00 3.88 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 57 V 8.33 4.67 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 0.87 0.00 0.00 0.93 0.00 0.00 58 V 8.38 4.34 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 0.98 0.00 0.00 0.93 0.00 0.00 59 A 8.57 5.52 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 60 E 8.45 4.57 0.00 1.91 1.84 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 2.32 2.28 0.00 61 V 8.36 3.07 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 0.64 0.00 0.00 0.86 0.00 0.00 62 L 8.59 3.54 0.00 1.75 1.75 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 63 G 5.38 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 64 H 8.19 5.60 0.00 2.98 3.20 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.45 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 66 R 8.50 4.87 0.00 1.79 1.91 0.00 3.05 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 67 G 8.32 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 68 K 8.51 4.50 0.00 1.70 1.79 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 K 8.79 4.57 0.00 1.77 1.78 0.00 1.62 0.00 0.00 2.41 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 70 I 9.02 3.75 2.00 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 1.18 0.69 0.91 0.00 0.00 71 L 7.81 4.18 0.00 1.77 1.96 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 72 V 6.41 3.16 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 0.87 0.00 0.00 0.94 0.00 0.00 73 S 8.17 4.75 0.00 4.05 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 0.00 74 K 8.36 4.85 0.00 1.83 1.78 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.38 7.81 75 F 8.75 5.28 0.00 2.95 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 76 K 8.26 4.52 0.00 1.66 1.54 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.35 7.81 77 A 8.75 3.87 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 78 K 8.62 3.87 0.00 1.95 1.93 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.43 7.81 79 V 6.39 4.16 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 0.64 0.00 0.00 0.94 0.00 0.00 80 Q 5.96 4.58 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 81 Y 7.13 5.43 0.00 3.07 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 82 R 9.31 4.40 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 83 R 8.97 4.37 0.00 1.80 1.82 0.00 3.51 0.00 0.00 3.26 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 84 K 7.68 3.59 0.00 1.87 1.77 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 85 K 7.88 4.25 0.00 1.74 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.81 7.81 86 G 8.66 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 87 H 8.11 4.20 0.00 3.34 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.05 4.78 0.00 1.64 1.79 0.00 3.26 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 89 Q 8.46 4.01 0.00 1.98 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.08 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 90 P 0.00 4.46 0.00 1.89 1.90 0.00 3.60 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 1.96 2.12 0.00 91 Y 9.52 5.28 0.00 3.06 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 92 T 9.02 4.92 4.69 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 1.27 0.00 0.00 93 E 8.94 4.70 0.00 2.02 1.78 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 2.19 2.21 0.00 94 L 9.35 5.35 0.00 1.41 1.51 0.89 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.16 5.15 0.00 1.64 1.48 0.91 0.78 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 96 I 8.63 3.78 2.01 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 1.21 1.02 0.91 0.00 0.00 97 K 8.08 4.57 0.00 1.81 1.69 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.38 7.81 98 E 8.86 4.39 0.00 2.17 1.63 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 2.17 2.22 0.00 99 I 9.44 3.14 1.90 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 1.46 0.21 0.93 0.00 0.00 100 R 8.97 4.56 0.00 1.90 1.97 0.00 2.70 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 101 G 8.59 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 0.00 0.00 0.00