NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9327 8.3393 109.7360 45.6874 0.0000 172.6922 -1 S 4.6590 8.5028 115.8436 55.8162 65.5014 171.5236 0 H 4.7428 8.6281 120.5373 54.4757 33.3386 173.3729 1 M 4.2097 8.2938 125.8771 54.0539 33.0473 174.9137 2 T 4.3388 7.8565 122.7156 62.0672 70.5770 173.9656 3 Y 4.8576 8.1767 121.0855 56.5331 41.0472 175.2967 4 V 4.5322 8.5269 117.7512 59.4849 34.4184 175.0198 5 I 4.5404 8.2092 123.2941 59.4055 38.9576 175.3164 6 L 4.7687 8.0878 124.0579 53.1869 43.3334 174.3707 7 P 4.4724 0.0000 0.0000 62.5963 32.1432 175.8024 8 L 4.1820 7.7816 118.7056 54.2998 44.4870 173.8366 9 E 4.3083 8.6907 124.9719 56.1811 30.7201 175.6256 10 M 4.8562 8.0936 120.2281 53.9197 36.3960 174.3137 11 K 4.4450 8.7633 120.9400 54.7966 35.0429 175.5355 12 K 4.9813 8.3925 120.5259 54.9330 35.5533 175.9732 13 G 4.2268 8.9240 112.1470 43.7945 0.0000 171.7912 14 R 3.8527 8.3613 118.4571 58.9811 29.8517 179.4755 15 G 4.1673 6.1560 104.9798 44.3802 0.0000 171.7250 16 Y 4.8147 6.7726 114.1890 55.5142 40.4055 172.7827 17 V 5.0728 8.5880 122.0223 61.4473 34.0929 173.9015 18 Y 4.8738 8.6243 124.9073 56.5753 42.1559 174.1691 19 Q 4.6915 8.6243 120.7378 55.1747 30.5014 171.7399 20 L 4.5900 8.5493 124.2009 52.5850 44.4768 174.9845 21 E 5.1275 8.3173 122.7814 54.7555 33.7612 174.7147 22 Y 5.2370 8.9149 119.2216 56.7162 42.9212 173.9963 23 H 5.2892 9.6405 124.3256 54.9965 31.2342 172.9960 24 L 5.3646 9.2530 129.3351 53.5056 44.2768 175.2014 25 I 5.4196 9.3546 126.2219 58.3914 41.4998 174.2798 26 W 5.3231 7.7870 120.2478 55.8188 31.2844 173.0702 27 C 5.3502 8.7487 118.6309 57.8754 31.4187 173.2531 28 V 4.5770 8.7880 120.6006 62.4340 32.5570 175.5234 29 K 3.9288 8.7972 128.0158 57.9927 32.3902 177.0770 30 Y 3.6717 8.4199 121.2249 57.7247 35.4971 169.2529 31 R 3.9441 7.9093 118.0961 57.3576 29.1829 175.9284 32 H 4.5195 7.7947 112.7455 55.7862 29.5726 177.0026 33 Q 4.4627 8.4863 124.5305 54.8325 27.0353 175.8809 34 V 4.1894 7.4474 110.2792 61.4244 33.6619 177.4685 35 L 4.3422 7.9741 123.0655 53.1562 39.9310 175.8149 36 V 4.4283 6.8678 120.4181 60.0322 36.4207 178.5231 37 G 3.7524 8.2428 109.2833 46.8942 0.0000 177.2323 38 E 4.0195 8.6790 122.3096 58.8794 29.9943 179.1546 39 V 2.3991 7.5506 118.2554 65.4504 31.4383 177.8743 40 A 3.9376 7.7400 119.9177 55.3293 18.4105 179.0956 41 D 4.4254 7.9641 117.0439 57.5414 40.8986 179.3710 42 G 3.9358 8.5150 107.9641 47.0560 0.0000 175.4281 43 L 4.0755 7.9981 122.6820 57.9872 42.0639 179.0661 44 K 3.9240 8.0503 118.3221 59.8191 32.0389 178.9386 45 D 4.3922 8.0137 118.3611 57.4424 40.6451 179.0674 46 I 3.7640 7.9289 120.2122 64.3658 37.1005 178.4808 47 L 4.0666 8.5446 120.1491 58.0572 41.4903 179.9039 48 R 3.9769 8.3518 118.2130 59.0855 29.9051 178.7316 49 D 4.3161 8.1550 118.0061 57.3844 41.2943 178.3504 50 I 3.8671 8.1084 120.3916 64.2740 37.0607 178.1678 51 A 3.9410 8.4118 121.7876 55.1826 18.2409 179.5771 52 A 3.9347 8.1476 119.1618 55.5285 18.2819 179.8496 53 Q 4.0331 8.3814 115.6949 58.4982 28.8013 177.9576 54 N 4.8563 7.8268 114.7293 52.0717 38.9677 175.2831 55 G 3.9105 7.7953 108.0708 46.3219 0.0000 173.3667 56 L 4.5402 8.0770 119.5824 52.9532 43.1513 175.8337 57 E 4.3811 8.7912 124.7681 55.1035 31.4536 174.9723 58 V 4.2727 8.2614 126.9974 61.9809 31.6924 175.3499 59 I 4.0780 8.7849 130.5176 64.1968 37.7670 177.1015 60 T 4.7248 7.6089 116.8869 62.2164 73.1465 172.9116 61 M 5.0965 8.5038 124.6145 54.2966 35.2367 173.6850 62 E 4.6653 9.4145 125.8718 54.4352 33.5770 174.9110 63 V 4.4078 8.4309 124.0138 61.5270 32.8121 175.0418 64 M 4.4573 8.7005 128.3778 53.0213 33.8496 175.5776 65 P 4.5509 0.0000 0.0000 64.4803 31.6344 177.8223 66 D 5.2240 7.7829 114.6307 52.8150 40.1012 174.2298 67 H 5.0931 7.5277 113.9845 55.4301 32.5226 172.5485 68 V 4.5285 8.0322 118.2496 61.1335 34.7553 173.6846 69 H 5.1861 8.9645 124.0284 53.9722 31.7491 172.8366 70 L 5.2354 9.0583 122.8548 52.7349 46.1341 175.5111 71 L 5.1844 9.0406 124.4515 53.6170 44.4593 175.0639 72 L 5.2613 9.1037 126.9675 53.0019 45.1630 175.5288 73 S 5.1981 8.9357 116.1092 56.6476 65.0127 172.8289 74 A 5.1776 8.9837 127.9740 50.5490 22.8295 175.1415 75 T 3.7882 9.1734 109.9263 59.6418 70.2730 174.5241 76 P 4.1050 0.0000 0.0000 65.2697 31.2916 178.0300 77 Q 3.9303 7.0943 114.3271 57.1592 28.8492 176.0624 78 Q 4.2811 7.5123 117.4943 54.3715 28.3952 175.8908 79 A 4.0836 8.2383 125.8695 51.3540 20.2338 177.0759 80 I 2.0000 7.9313 125.4575 63.7222 37.1974 176.8652 81 P 3.8398 0.0000 0.0000 65.5932 31.1151 178.4560 82 D 4.2088 7.6034 117.2250 57.3401 40.9235 178.6724 83 F 4.3240 7.5837 114.8870 59.4926 37.8622 177.8793 84 V 3.3592 7.4101 119.5107 65.5338 31.1886 177.8920 85 K 3.6884 7.8614 119.2174 59.2575 31.8249 178.5992 86 A 3.9409 7.9293 120.9916 55.1059 18.1768 179.6828 87 L 3.9053 7.8073 117.2736 57.8550 41.7679 179.9753 88 K 3.2863 7.6291 118.5132 59.0445 32.0703 179.6137 89 G 3.6386 7.9478 105.6587 48.0061 0.0000 175.5640 90 A 4.0990 7.7299 124.2123 54.5376 18.3952 179.8691 91 S 4.1600 8.0792 112.6966 61.4469 63.1086 176.5633 92 A 3.7536 8.4498 124.4480 54.8372 18.0316 179.4353 93 R 3.9154 7.9245 116.6381 59.9467 30.1796 178.9842 94 R 3.9941 8.3378 117.9386 59.4986 30.0019 179.0976 95 M 4.2082 8.6292 119.0081 58.4979 32.0726 178.8493 96 F 4.4995 8.1033 117.9527 60.4087 38.8033 178.0475 97 V 3.7280 7.5850 117.2562 66.0190 31.4933 177.7857 98 A 4.0271 8.0758 119.4258 53.7074 19.4863 177.1874 99 Y 4.6670 8.2230 115.1130 54.5180 38.5970 174.1002 100 P 4.6089 0.0000 0.0000 64.5371 31.7870 177.6066 101 Q 4.1747 8.3218 115.9953 59.0287 28.3310 178.5197 102 L 4.1429 8.3886 121.2960 57.5608 41.3733 179.2205 103 K 4.9437 8.1811 118.9346 58.3558 31.9228 178.0838 104 E 4.2545 8.0911 118.7968 59.2011 29.4469 178.2852 105 K 4.6548 8.1500 114.4606 56.6631 33.5056 176.7224 106 L 4.4708 8.0829 119.2641 52.2447 42.0041 176.4119 107 W 4.6798 7.2627 118.1053 56.2558 29.3545 178.4714 108 G 3.6619 7.5630 107.1925 46.0400 0.0000 174.3634 109 G 3.7979 7.8996 107.1236 45.2984 0.0000 173.2262 110 N 5.0243 7.7737 115.4560 51.2459 42.0369 173.8453 111 L 4.1149 8.5411 124.3544 55.7324 43.6502 175.9404 112 W 5.6582 7.5764 116.4932 54.3910 31.8767 175.6261 113 N 4.5915 9.2488 122.3369 53.1360 38.7394 173.5122 114 P 4.4686 0.0000 0.0000 64.1349 31.7911 176.1152 115 S 4.8519 8.7679 115.8601 57.2383 65.0571 172.6543 116 Y 5.1819 7.6759 118.7247 55.6650 41.2804 173.7056 117 C 4.8766 9.3145 121.5357 57.7388 34.4718 172.4970 118 I 5.3332 8.2606 124.8663 59.7258 41.0040 173.7552 119 L 5.1288 9.0806 128.2603 52.8969 45.7953 176.1393 120 T 4.5466 8.7577 113.0520 61.8161 69.7737 173.7665 121 V 4.6098 8.4787 123.9722 61.1284 34.1164 174.8683 122 S 4.7980 8.4768 120.7223 56.0195 65.9508 173.7018 123 E 3.9502 8.8214 122.4815 58.5797 29.5856 176.5054 124 N 4.9068 7.7091 114.2607 51.4380 41.3603 174.5262 125 T 4.3441 8.3801 110.2513 60.8751 71.3226 175.7764 126 R 3.8521 8.4800 121.3034 59.7451 30.0156 178.3827 127 A 4.2006 8.0373 119.8747 55.4859 18.2664 179.5056 128 Q 3.9721 7.9808 116.0243 59.0520 28.6815 179.0196 129 I 3.7656 7.9600 120.8816 64.5398 37.2622 178.4868 130 Q 4.0271 8.5985 119.3014 58.8455 28.4605 178.7588 131 K 3.9409 8.3901 120.8762 59.6677 32.2010 178.1925 132 Y 4.0642 8.3392 120.0185 60.8363 38.5383 177.8514 133 I 3.5902 7.8897 119.8055 64.6358 37.2561 177.9347 134 E 4.0933 7.9220 118.5118 59.2850 29.3626 179.2601 135 S 4.0885 7.5024 113.1468 59.3945 63.1429 174.2766 136 Q 3.7358 7.5075 125.4564 56.1173 28.9463 173.0069 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 -2 G 8.34 3.93 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 0.00 0.00 0.00 -1 S 8.50 4.66 0.00 4.03 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 H 8.63 4.74 0.00 3.00 3.14 0.00 5.89 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 1 M 8.29 4.21 0.00 1.69 1.78 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.41 0.00 2 T 7.86 4.34 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 1.20 0.00 0.00 3 Y 8.18 4.86 0.00 2.94 2.75 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 4 V 8.53 4.53 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 0.77 0.00 0.00 0.97 0.00 0.00 5 I 8.21 4.54 1.89 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 1.49 0.60 0.92 0.00 0.00 6 L 8.09 4.77 0.00 1.64 1.57 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.47 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 8 L 7.78 4.18 0.00 1.45 1.43 0.84 0.79 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 9 E 8.69 4.31 0.00 2.06 1.89 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 2.21 2.27 0.00 10 M 8.09 4.86 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 11 K 8.76 4.45 0.00 0.79 1.16 0.00 1.28 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.28 7.81 12 K 8.39 4.98 0.00 1.55 1.63 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.33 7.81 13 G 8.92 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 14 R 8.36 3.85 0.00 1.65 1.76 0.00 3.14 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 15 G 6.16 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 6.77 4.81 0.00 3.29 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 17 V 8.59 5.07 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 0.84 0.00 0.00 0.95 0.00 0.00 18 Y 8.62 4.87 0.00 3.14 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 19 Q 8.62 4.69 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 20 L 8.55 4.59 0.00 1.78 1.35 0.86 0.88 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 21 E 8.32 5.13 0.00 1.92 1.73 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 2.22 2.22 0.00 22 Y 8.91 5.24 0.00 3.00 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 23 H 9.64 5.29 0.00 3.21 3.26 0.00 5.57 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.25 5.36 0.00 1.96 1.67 1.14 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.35 5.42 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.69 0.71 0.00 0.00 26 W 7.79 5.32 0.00 3.26 3.21 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 27 C 8.75 5.35 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 28 V 8.79 4.58 2.27 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 0.92 0.00 0.00 1.15 0.00 0.00 29 K 8.80 3.93 0.00 1.67 1.39 0.00 1.29 0.00 0.00 1.51 0.00 0.00 2.63 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.73 0.21 7.81 30 Y 8.42 3.67 0.00 2.75 2.79 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 31 R 7.91 3.94 0.00 1.95 1.99 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 32 H 7.79 4.52 0.00 3.19 3.23 0.00 5.70 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 33 Q 8.49 4.46 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 34 V 7.45 4.19 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 0.74 0.00 0.00 0.86 0.00 0.00 35 L 7.97 4.34 0.00 1.98 1.63 1.22 0.97 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 36 V 6.87 4.43 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 0.82 0.00 0.00 0.92 0.00 0.00 37 G 8.24 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 0.00 0.00 0.00 38 E 8.68 4.02 0.00 2.04 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 0.00 2.42 2.30 0.00 39 V 7.55 2.40 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 0.71 0.00 0.00 0.57 0.00 0.00 40 A 7.74 3.94 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 41 D 7.96 4.43 0.00 2.89 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 42 G 8.51 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 0.00 0.00 0.00 43 L 8.00 4.08 0.00 1.95 1.96 1.28 0.82 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 44 K 8.05 3.92 0.00 2.05 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.69 7.81 45 D 8.01 4.39 0.00 2.93 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 46 I 7.93 3.76 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.88 1.00 0.00 0.00 47 L 8.54 4.07 0.00 1.84 1.81 nan 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.35 3.98 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 49 D 8.15 4.32 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 50 I 8.11 3.87 2.02 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 1.48 0.79 0.98 0.00 0.00 51 A 8.41 3.94 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 52 A 8.15 3.93 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 53 Q 8.38 4.03 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 54 N 7.83 4.86 0.00 2.80 2.84 0.00 0.00 7.02 7.68 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 55 G 7.80 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 0.00 0.00 0.00 56 L 8.08 4.54 0.00 1.52 1.45 0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.79 4.38 0.00 2.07 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 0.00 2.24 2.24 0.00 58 V 8.26 4.27 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 0.85 0.00 0.00 0.93 0.00 0.00 59 I 8.78 4.08 1.95 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 1.21 1.03 0.89 0.00 0.00 60 T 7.61 4.72 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 1.17 0.00 0.00 61 M 8.50 5.10 0.00 1.94 1.87 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 2.42 2.52 0.00 62 E 9.41 4.67 0.00 1.79 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 0.00 2.15 2.29 0.00 63 V 8.43 4.41 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 0.80 0.00 0.00 0.89 0.00 0.00 64 M 8.70 4.46 0.00 2.03 1.67 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 65 P 0.00 4.55 0.00 2.19 2.12 0.00 3.81 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 2.12 2.04 0.00 66 D 7.78 5.22 0.00 2.89 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 67 H 7.53 5.09 0.00 3.26 3.36 0.00 5.20 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.03 4.53 0.67 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 0.40 0.00 0.00 0.56 0.00 0.00 69 H 8.96 5.19 0.00 2.96 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.06 5.24 0.00 1.57 1.52 1.12 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 71 L 9.04 5.18 0.00 1.67 1.57 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.10 5.26 0.00 1.56 1.39 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.94 5.20 0.00 3.84 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 74 A 8.98 5.18 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 75 T 9.17 3.79 3.99 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 1.26 0.00 0.00 76 P 0.00 4.10 0.00 1.41 1.85 0.00 2.67 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 1.22 1.52 0.00 77 Q 7.09 3.93 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 78 Q 7.51 4.28 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 79 A 8.24 4.08 1.16 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 0.00 0.00 80 I 7.93 2.00 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.22 0.52 0.00 0.00 81 P 0.00 3.84 0.00 1.99 1.99 0.00 3.35 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 82 D 7.60 4.21 0.00 2.83 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 83 F 7.58 4.32 0.00 3.10 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 84 V 7.41 3.36 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 0.20 0.00 0.00 0.23 0.00 0.00 85 K 7.86 3.69 0.00 1.76 1.84 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.37 7.81 86 A 7.93 3.94 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 87 L 7.81 3.91 0.00 1.50 1.54 1.00 0.57 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 88 K 7.63 3.29 0.00 1.34 1.26 0.00 0.88 0.00 0.00 1.07 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 89 G 7.95 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.73 4.10 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 91 S 8.08 4.16 0.00 4.28 4.35 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 92 A 8.45 3.75 1.49 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 0.00 0.00 93 R 7.92 3.92 0.00 2.04 2.19 0.00 3.22 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 94 R 8.34 3.99 0.00 1.95 2.02 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 95 M 8.63 4.21 0.00 1.81 1.99 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 2.68 2.92 0.00 96 F 8.10 4.50 0.00 3.26 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 97 V 7.59 3.73 2.24 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 0.81 0.00 0.00 1.05 0.00 0.00 98 A 8.08 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.22 4.67 0.00 3.11 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 0.00 100 P 0.00 4.61 0.00 2.21 2.16 0.00 3.92 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 101 Q 8.32 4.17 0.00 2.35 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 102 L 8.39 4.14 0.00 1.98 1.85 0.62 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.18 4.94 0.00 1.90 1.97 0.00 1.62 0.00 0.00 1.23 0.00 0.00 2.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.63 7.81 104 E 8.09 4.25 0.00 2.08 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 2.63 2.46 0.00 105 K 8.15 4.65 0.00 1.75 1.67 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.49 7.81 106 L 8.08 4.47 0.00 2.04 1.87 0.87 0.75 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 0.00 107 W 7.26 4.68 0.00 3.48 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.56 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 0.00 109 G 7.90 3.80 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 0.00 0.00 0.00 110 N 7.77 5.02 0.00 2.57 2.64 0.00 0.00 6.95 7.85 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 0.00 111 L 8.54 4.11 0.00 1.10 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 112 W 7.58 5.66 0.00 3.15 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 0.00 113 N 9.25 4.59 0.00 2.80 2.97 0.00 0.00 7.17 7.95 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 0.00 114 P 0.00 4.47 0.00 2.22 2.15 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 115 S 8.77 4.85 0.00 3.97 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 0.00 116 Y 7.68 5.18 0.00 2.93 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 0.00 117 C 9.31 4.88 0.00 2.95 2.79 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 0.00 118 I 8.26 5.33 2.13 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 1.55 1.28 1.08 0.00 0.00 119 L 9.08 5.13 0.00 1.74 1.55 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.76 4.55 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 1.33 0.00 0.00 121 V 8.48 4.61 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 0.84 0.00 0.00 0.99 0.00 0.00 122 S 8.48 4.80 0.00 3.96 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 0.00 123 E 8.82 3.95 0.00 1.91 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 2.26 2.30 0.00 124 N 7.71 4.91 0.00 2.69 2.88 0.00 0.00 6.90 7.54 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 0.00 125 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 1.21 0.00 0.00 126 R 8.48 3.85 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 127 A 8.04 4.20 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 0.00 128 Q 7.98 3.97 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 129 I 7.96 3.77 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 1.49 0.81 0.96 0.00 0.00 130 Q 8.60 4.03 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 131 K 8.39 3.94 0.00 2.10 2.01 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 132 Y 8.34 4.06 0.00 3.12 3.19 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 0.00 133 I 7.89 3.59 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.02 0.91 0.00 0.00 134 E 7.92 4.09 0.00 2.12 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 2.55 2.46 0.00 135 S 7.50 4.09 0.00 3.96 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 0.00 136 Q 7.51 3.74 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00