NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6762 8.3501 109.7338 44.7160 0.0000 173.7061 2 A 3.3180 8.8420 122.0567 53.5183 15.8887 176.0505 3 L 3.5407 7.5857 121.0192 55.3385 40.8738 173.8184 4 T 4.1499 8.5939 113.9281 61.1235 70.9068 174.9345 5 E 3.9681 8.6323 121.8994 59.2230 29.7097 179.0449 6 S 4.1844 7.9637 114.1769 61.2574 63.4912 176.2080 7 Q 3.9401 8.1336 121.4690 58.6834 28.4624 178.7522 8 A 3.9129 7.9310 121.2815 55.1371 18.4352 179.5634 9 A 4.0029 8.0661 119.2884 55.1928 18.3251 179.9470 10 L 3.9789 7.8920 117.3359 57.8467 41.7629 179.7519 11 V 3.5322 7.5667 117.7271 65.8570 31.3383 177.8410 12 K 3.8750 8.2077 119.2399 59.8798 32.1908 178.9462 13 S 4.4017 8.2845 115.6132 61.5749 62.7929 176.7655 14 S 4.3785 8.7047 117.0325 60.6533 62.7462 176.4729 15 W 4.2978 8.4518 132.5799 60.5084 30.2891 177.7205 16 E 3.3730 8.1909 117.4067 59.3533 29.0519 178.7506 17 E 3.9739 8.0502 118.7912 58.9067 29.5171 178.4665 18 F 3.9004 8.0255 120.8051 61.3192 39.3018 176.3211 19 N 4.0709 7.6220 113.2679 54.7485 38.7389 175.8928 20 A 4.1103 7.1312 121.0945 54.0420 20.2072 177.1392 21 N 4.7323 7.4357 115.3378 50.9101 39.1924 174.5401 22 I 3.1791 7.4177 123.4539 63.4436 37.4301 175.9759 23 P 4.3729 0.0000 0.0000 64.7647 31.2331 178.5932 24 K 3.8816 7.6074 117.6255 59.9754 32.2234 178.5604 25 H 4.3137 7.7994 116.7387 58.8393 28.5452 177.9521 26 T 4.0715 7.9353 111.8982 64.7886 68.6521 176.4432 27 H 4.2289 8.0423 121.0553 59.0373 29.9272 177.0545 28 R 3.8357 8.1080 120.5436 59.4500 29.8256 177.8712 29 F 4.2742 8.4253 121.8711 60.9430 39.3735 177.2555 30 F 3.7552 8.1570 116.8706 60.2151 38.6086 177.6912 31 I 3.6805 7.7390 119.6440 64.4430 37.0533 178.4190 32 L 3.8983 7.9370 119.6776 57.5885 41.3413 179.4947 33 V 3.3934 7.5738 118.4884 66.2541 31.1844 178.2449 34 L 4.0201 7.6863 116.6748 57.5468 41.4365 179.0873 35 E 4.1161 7.9248 118.3269 59.1986 29.4304 179.0790 36 I 4.0894 7.4672 118.4595 63.0033 38.4386 176.8267 37 A 4.5990 8.2309 124.6433 48.4779 19.7117 174.1324 38 P 4.3017 0.0000 0.0000 65.8175 31.3313 177.7788 39 A 4.1055 8.0943 118.3443 54.5650 18.3114 178.8452 40 A 4.0299 8.2882 119.0936 53.7777 18.3649 179.2989 41 K 3.9004 7.8915 118.6753 59.9707 32.0676 178.2499 42 D 4.3961 7.3621 117.4856 57.5117 40.7508 178.7760 43 L 3.9454 7.7032 118.2037 55.1757 41.8561 176.8043 44 F 4.2584 7.4879 119.0359 55.0774 40.1140 176.4880 45 S 4.0061 8.4902 121.2646 61.3822 62.6051 176.3816 46 F 4.4312 7.3666 113.3085 57.9576 38.3638 175.3608 47 L 4.3999 7.7682 121.1898 56.3209 42.8307 176.4452 48 K 3.8602 6.9371 118.6295 59.3957 31.9469 176.6985 49 G 4.0999 8.9138 111.4455 45.3814 0.0000 172.6836 50 T 4.6545 7.7209 109.4815 59.6796 71.3522 174.5794 51 S 4.3505 8.5619 116.3184 60.2760 63.8357 174.1690 52 E 4.6706 7.5977 119.1288 52.8966 32.1370 175.9145 53 V 3.6953 8.1933 120.7305 61.9705 31.8565 174.1654 54 P 4.3909 0.0000 0.0000 63.5762 31.4325 175.9657 55 Q 4.3570 8.5246 117.9617 56.7709 30.1522 175.6213 56 N 5.1106 7.7718 114.1470 51.9528 39.7474 174.6752 57 N 4.7653 7.8418 116.9598 51.4973 40.9962 172.2448 58 P 4.3314 0.0000 0.0000 65.3923 31.5451 178.3405 59 E 3.9517 8.1220 118.6199 58.9137 29.6189 178.2513 60 L 2.4400 7.5592 120.2319 57.7696 41.9795 178.9002 61 Q 3.9529 7.7521 117.2085 59.0773 28.8435 178.9693 62 A 4.1424 7.9345 121.4800 55.3954 18.4280 179.1051 63 H 4.2178 8.3166 116.4463 59.6511 30.1100 177.4494 64 A 4.2324 8.4922 122.7356 54.8791 18.1919 179.8274 65 G 3.8200 8.3788 104.4266 48.1169 0.0000 176.1034 66 K 4.1237 8.0843 121.1270 58.9541 32.1648 179.5555 67 V 3.6104 7.8638 118.4341 66.2604 31.4975 178.1232 68 F 3.9675 8.5206 117.4482 60.4120 38.6822 177.6749 69 K 4.0122 8.6029 119.3858 59.3890 32.0075 178.9843 70 L 3.9506 8.1282 119.5147 57.6941 41.5759 179.6022 71 V 3.5715 7.7528 117.8202 65.8932 31.5733 177.4325 72 Y 3.7726 7.9855 119.3478 60.7979 38.6471 178.1191 73 E 3.1906 8.0990 119.3642 58.6928 29.2991 179.2377 74 A 3.8307 7.7675 120.9936 54.8175 18.4502 179.4304 75 A 3.7648 7.7404 119.2615 55.3170 18.4404 179.9629 76 I 3.5143 7.2371 117.9063 64.4603 37.0652 178.3949 77 Q 3.8806 7.8318 120.3349 59.2013 28.8271 178.4156 78 L 4.0074 8.0648 120.2102 57.6155 41.3900 179.1855 79 E 4.0425 7.6171 119.0798 58.7944 29.7302 178.8053 80 V 3.7018 8.0602 117.4711 65.6171 31.7577 177.1770 81 T 4.4192 8.1713 106.9607 60.8855 70.0985 175.5488 82 G 3.9206 8.7179 109.1140 45.3546 0.0000 172.8425 83 V 4.3890 7.4144 111.2757 59.7822 35.9324 174.4102 84 V 4.0715 8.0536 120.5301 61.2620 32.0410 175.0811 85 V 3.9624 8.0799 127.5140 61.9830 32.3048 175.8564 86 T 4.1413 8.2197 123.6644 64.0373 69.4798 173.2924 87 D 4.4963 7.8563 120.1854 51.9489 41.8114 175.4628 88 A 3.9436 8.6968 119.6534 56.1171 18.3728 179.7822 89 T 3.8281 7.9758 113.7875 67.0717 68.6603 176.5204 90 L 4.1290 8.1901 120.2741 57.1587 41.7906 179.4980 91 K 4.2146 7.9367 119.7858 58.1916 32.0149 178.6245 92 N 4.2446 8.5215 117.9569 56.7577 38.8794 176.3442 93 L 3.9849 7.9666 121.7042 58.3209 42.1592 179.2501 94 G 3.6469 7.9235 105.3741 47.7244 0.0000 175.8929 95 S 4.1571 7.8846 116.5523 61.3589 63.1848 176.9553 96 V 3.6700 8.0029 116.6270 64.2991 31.2089 178.3106 97 H 4.2965 8.4093 115.9866 58.8290 28.4037 177.9599 98 V 3.6231 7.7845 119.6142 66.1980 31.1203 178.2426 99 S 4.1440 7.7909 113.4759 61.4794 62.7987 176.3236 100 K 4.1970 7.8995 118.9066 56.7765 31.9899 177.7131 101 G 3.7938 7.6893 107.3441 45.8580 0.0000 173.5444 102 V 3.6405 7.7970 119.4145 61.9061 32.1875 175.2024 103 A 4.9446 8.5678 128.6042 49.9354 22.2360 176.6424 104 D 4.6504 8.8536 118.5958 57.7409 40.6317 178.9272 105 A 4.2887 7.9725 118.2447 54.2840 18.5808 178.4142 106 H 4.4546 8.4356 115.0466 57.9933 28.8467 177.5825 107 F 4.2339 8.4772 120.2132 60.2290 38.7432 175.7213 108 P 4.3639 0.0000 0.0000 65.3419 31.1786 178.7388 109 V 3.5509 7.5998 117.3660 66.2290 31.5052 178.3997 110 V 3.6574 7.7622 117.3680 65.4275 31.4327 177.6851 111 K 2.8703 7.8135 119.5639 59.3448 32.0299 178.7205 112 E 3.9188 8.2420 118.5803 59.2410 29.3184 179.2778 113 A 3.9879 7.8931 120.6795 55.0139 18.2798 179.8379 114 I 3.6576 7.9230 118.4283 64.5406 37.1839 178.6740 115 L 3.9319 7.7466 119.8114 57.7910 41.4734 179.8223 116 K 3.9834 8.1958 118.4207 59.4026 31.4302 179.7297 117 T 3.8948 7.8561 116.1560 66.8127 68.5194 176.8179 118 I 3.6248 7.9092 122.0217 64.0856 36.9981 178.3274 119 K 3.9106 8.0552 120.4351 59.7020 31.7377 178.7198 120 E 3.9285 7.7159 117.0179 59.1586 29.4054 179.2326 121 V 3.6090 7.7151 117.5447 66.2335 32.1265 178.3089 122 V 4.0288 8.1399 111.5985 61.9684 31.9275 177.5910 123 G 3.7245 8.7348 107.6345 46.1888 0.0000 176.9602 124 A 4.1628 8.7955 125.9145 54.5904 18.2914 178.6056 125 K 4.2584 7.8495 113.4201 57.1791 32.3244 177.4448 126 W 4.2965 8.0564 130.1161 57.4516 31.5077 175.4861 127 S 4.3035 6.8795 117.6922 55.6191 66.9562 175.0252 128 E 3.5000 8.0726 121.7487 59.3179 29.2277 179.1885 129 E 3.8381 7.8553 118.9463 58.8972 29.6803 178.4860 130 L 3.9062 7.4945 120.0809 58.0820 42.2264 178.2657 131 N 4.4527 7.5765 116.7462 57.0239 38.9411 176.9424 132 S 4.2107 8.2900 115.2695 61.1856 62.9335 176.3524 133 A 3.9140 8.0861 124.3966 54.9727 18.1395 179.6210 134 W 3.9320 8.2460 117.4685 60.0299 29.0422 178.8517 135 T 3.9977 8.1896 115.6665 66.8442 68.0066 176.6371 136 I 3.7163 7.9699 121.2579 64.4612 37.1761 178.4607 137 A 3.9607 7.9893 121.5931 55.1010 18.0994 179.1104 138 Y 3.8936 8.4872 118.3951 61.0229 38.9902 177.8106 139 D 4.4872 8.7173 120.2476 57.6412 40.4593 178.8650 140 E 3.9411 8.2809 118.9577 59.0428 29.4210 179.1626 141 L 3.8190 7.8670 120.1681 58.1086 42.1503 178.6839 142 A 3.6636 7.9711 121.0777 55.1627 18.2999 179.4661 143 I 3.4740 7.5497 118.0962 64.7292 37.0834 178.8807 144 V 3.5808 7.3491 118.0712 65.8160 31.2836 178.2397 145 I 3.7346 7.8168 119.7712 64.2595 37.0383 178.3880 146 K 3.8267 8.0503 119.7312 59.1660 31.7089 179.2936 147 K 3.8823 7.8408 119.4749 59.7228 31.8708 178.8510 148 E 3.9708 7.9325 118.6993 59.4195 29.2924 179.4116 149 M 4.2710 8.0594 118.9278 58.4619 31.8767 177.9436 150 D 4.3674 7.8817 116.6725 57.8408 41.4223 178.0036 151 D 4.4915 8.0779 117.3754 56.7545 40.9310 178.2565 152 A 4.1516 8.1485 121.1206 54.4372 18.5596 177.6839 153 A 4.2903 7.9434 123.0119 52.4869 18.9124 177.0606 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 G 8.35 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 2 A 8.84 3.32 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 3 L 7.59 3.54 0.00 1.81 1.61 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.59 4.15 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 1.24 0.00 0.00 5 E 8.63 3.97 0.00 2.04 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 2.37 2.36 0.00 6 S 7.96 4.18 0.00 4.08 4.09 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 7 Q 8.13 3.94 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 8 A 7.93 3.91 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 9 A 8.07 4.00 1.41 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 0.00 0.00 0.00 10 L 7.89 3.98 0.00 1.94 1.78 0.89 0.70 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 11 V 7.57 3.53 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 0.25 0.00 0.00 0.30 0.00 0.00 12 K 8.21 3.88 0.00 2.08 2.08 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.63 7.81 13 S 8.28 4.40 0.00 4.00 3.95 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 14 S 8.70 4.38 0.00 4.30 4.42 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 15 W 8.45 4.30 0.00 3.66 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 16 E 8.19 3.37 0.00 2.23 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 2.36 2.52 0.00 17 E 8.05 3.97 0.00 2.19 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 2.27 2.28 0.00 18 F 8.03 3.90 0.00 3.06 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 19 N 7.62 4.07 0.00 1.86 2.15 0.00 0.00 7.32 8.67 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 20 A 7.13 4.11 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 21 N 7.44 4.73 0.00 2.44 2.16 0.00 0.00 7.03 8.58 0.00 0.00 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 I 7.42 3.18 1.70 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.64 0.79 0.00 0.00 23 P 0.00 4.37 0.00 2.04 2.02 0.00 3.63 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 1.91 0.00 24 K 7.61 3.88 0.00 1.67 1.49 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 25 H 7.80 4.31 0.00 2.32 3.08 0.00 5.67 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 26 T 7.94 4.07 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 27 H 8.04 4.23 0.00 3.29 3.62 0.00 5.79 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 28 R 8.11 3.84 0.00 2.12 2.18 0.00 3.22 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 29 F 8.43 4.27 0.00 3.30 3.33 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 30 F 8.16 3.76 0.00 3.21 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 31 I 7.74 3.68 1.98 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 1.52 0.71 0.88 0.00 0.00 32 L 7.94 3.90 0.00 1.75 1.64 0.98 0.63 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 33 V 7.57 3.39 1.88 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 1.10 0.00 0.00 -0.02 0.00 0.00 34 L 7.69 4.02 0.00 1.81 1.72 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.92 4.12 0.00 2.09 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 2.32 2.60 0.00 36 I 7.47 4.09 1.97 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 1.42 0.42 0.90 0.00 0.00 37 A 8.23 4.60 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 38 P 0.00 4.30 0.00 2.17 2.14 0.00 3.61 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 2.12 2.17 0.00 39 A 8.09 4.11 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 40 A 8.29 4.03 1.48 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 41 K 7.89 3.90 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 42 D 7.36 4.40 0.00 2.71 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 43 L 7.70 3.95 0.00 0.77 0.98 0.58 0.67 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 44 F 7.49 4.26 0.00 2.67 1.62 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 45 S 8.49 4.01 0.00 3.98 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 46 F 7.37 4.43 0.00 3.00 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 47 L 7.77 4.40 0.00 1.68 1.69 0.79 0.67 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 48 K 6.94 3.86 0.00 1.73 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.60 7.81 49 G 8.91 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 50 T 7.72 4.65 4.33 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 1.28 0.00 0.00 51 S 8.56 4.35 0.00 4.00 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 52 E 7.60 4.67 0.00 1.95 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 0.00 2.22 2.32 0.00 53 V 8.19 3.70 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 0.84 0.00 0.00 0.94 0.00 0.00 54 P 0.00 4.39 0.00 2.20 2.06 0.00 3.80 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 1.99 2.03 0.00 55 Q 8.52 4.36 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.53 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 56 N 7.77 5.11 0.00 2.60 2.70 0.00 0.00 6.76 8.00 0.00 0.00 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 N 7.84 4.77 0.00 2.70 2.58 0.00 0.00 6.81 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 58 P 0.00 4.33 0.00 2.29 2.27 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 59 E 8.12 3.95 0.00 2.08 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 0.00 2.46 2.39 0.00 60 L 7.56 2.44 0.00 1.06 1.53 0.70 0.73 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 61 Q 7.75 3.95 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 62 A 7.93 4.14 1.44 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 63 H 8.32 4.22 0.00 3.63 3.73 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.49 4.23 1.65 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 0.00 0.00 65 G 8.38 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 66 K 8.08 4.12 0.00 2.12 1.96 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.66 7.81 67 V 7.86 3.61 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 0.92 0.00 0.00 1.00 0.00 0.00 68 F 8.52 3.97 0.00 3.03 3.06 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 0.00 0.00 0.00 0.00 69 K 8.60 4.01 0.00 2.30 1.96 0.00 2.04 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.35 7.81 70 L 8.13 3.95 0.00 1.75 1.66 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.75 3.57 2.31 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 1.20 0.00 0.00 1.07 0.00 0.00 72 Y 7.99 3.77 0.00 2.84 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 73 E 8.10 3.19 0.00 1.71 1.65 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 1.68 1.89 0.00 74 A 7.77 3.83 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 75 A 7.74 3.76 1.10 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 76 I 7.24 3.51 1.66 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 1.19 0.33 0.79 0.00 0.00 77 Q 7.83 3.88 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 78 L 8.06 4.01 0.00 1.80 1.64 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.62 4.04 0.00 1.91 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 2.38 2.42 0.00 80 V 8.06 3.70 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 0.89 0.00 0.00 81 T 8.17 4.42 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 1.16 0.00 0.00 82 G 8.72 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 0.00 0.00 0.00 83 V 7.41 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 0.65 0.00 0.00 0.89 0.00 0.00 84 V 8.05 4.07 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 0.71 0.00 0.00 0.85 0.00 0.00 85 V 8.08 3.96 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 0.83 0.00 0.00 0.89 0.00 0.00 86 T 8.22 4.14 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 1.24 0.00 0.00 87 D 7.86 4.50 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.70 3.94 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 89 T 7.98 3.83 4.42 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 1.21 0.00 0.00 90 L 8.19 4.13 0.00 1.69 1.69 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.94 4.21 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.42 7.81 92 N 8.52 4.24 0.00 2.86 2.96 0.00 0.00 6.77 6.29 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 93 L 7.97 3.98 0.00 2.06 1.84 0.93 0.94 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 94 G 7.92 3.65 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 0.00 0.00 0.00 95 S 7.88 4.16 0.00 4.11 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 0.00 96 V 8.00 3.67 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 0.92 0.00 0.00 0.99 0.00 0.00 97 H 8.41 4.30 0.00 3.26 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.78 3.62 2.23 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 1.05 0.00 0.00 1.04 0.00 0.00 99 S 7.79 4.14 0.00 4.10 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 0.00 100 K 7.90 4.20 0.00 1.74 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.57 7.81 101 G 7.69 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 0.00 102 V 7.80 3.64 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 0.51 0.00 0.00 0.72 0.00 0.00 103 A 8.57 4.94 1.28 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 0.00 0.00 0.00 104 D 8.85 4.65 0.00 2.76 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 0.00 105 A 7.97 4.29 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 0.00 106 H 8.44 4.45 0.00 3.35 3.25 0.00 5.82 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 0.00 107 F 8.48 4.23 0.00 3.39 3.38 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 0.00 108 P 0.00 4.36 0.00 2.21 2.16 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 109 V 7.60 3.55 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 0.99 0.00 0.00 0.97 0.00 0.00 110 V 7.76 3.66 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 1.24 0.00 0.00 1.02 0.00 0.00 111 K 7.81 2.87 0.00 1.17 1.73 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 0.95 7.81 112 E 8.24 3.92 0.00 1.97 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 2.49 2.45 0.00 113 A 7.89 3.99 1.19 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 0.00 0.00 114 I 7.92 3.66 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.88 0.48 0.00 0.00 115 L 7.75 3.93 0.00 1.82 1.76 0.95 0.97 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 0.00 116 K 8.20 3.98 0.00 1.78 1.80 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.59 7.81 117 T 7.86 3.89 4.61 0.00 0.00 0.00 0.00 0.00 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 0.00 118 I 7.91 3.62 1.58 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.36 0.74 0.00 0.00 119 K 8.06 3.91 0.00 1.70 1.71 0.00 1.14 0.00 0.00 1.24 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.21 7.81 120 E 7.72 3.93 0.00 2.10 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 2.29 2.43 0.00 121 V 7.72 3.61 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 0.76 0.00 0.00 0.70 0.00 0.00 122 V 8.14 4.03 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 0.97 0.00 0.00 1.28 0.00 0.00 123 G 8.73 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.80 4.16 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 0.00 125 K 7.85 4.26 0.00 1.88 1.92 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.42 7.81 126 W 8.06 4.30 0.00 3.38 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 0.00 127 S 6.88 4.30 0.00 3.78 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 0.00 128 E 8.07 3.50 0.00 1.91 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 2.45 2.36 0.00 129 E 7.86 3.84 0.00 1.99 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 2.33 2.38 0.00 130 L 7.49 3.91 0.00 1.76 1.47 1.21 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.58 4.45 0.00 2.99 2.96 0.00 0.00 7.05 6.91 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 0.00 132 S 8.29 4.21 0.00 4.10 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 0.00 133 A 8.09 3.91 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 0.00 134 W 8.25 3.93 0.00 3.51 3.36 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 0.00 135 T 8.19 4.00 4.49 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 1.28 0.00 0.00 136 I 7.97 3.72 1.87 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 1.47 1.04 0.89 0.00 0.00 137 A 7.99 3.96 1.28 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 0.00 0.00 0.00 138 Y 8.49 3.89 0.00 3.22 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 0.00 139 D 8.72 4.49 0.00 2.98 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 0.00 140 E 8.28 3.94 0.00 2.01 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 2.48 2.43 0.00 141 L 7.87 3.82 0.00 1.74 1.67 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.97 3.66 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 0.00 143 I 7.55 3.47 1.96 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 1.34 1.20 0.85 0.00 0.00 144 V 7.35 3.58 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 0.98 0.00 0.00 0.87 0.00 0.00 145 I 7.82 3.73 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.47 1.15 0.00 0.00 146 K 8.05 3.83 0.00 1.77 1.72 0.00 1.38 0.00 0.00 1.34 0.00 0.00 2.70 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.32 0.49 7.81 147 K 7.84 3.88 0.00 1.92 1.98 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 148 E 7.93 3.97 0.00 2.13 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 2.54 2.63 0.00 149 M 8.06 4.27 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.77 0.00 150 D 7.88 4.37 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.08 4.49 0.00 2.88 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 0.00 152 A 8.15 4.15 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 0.00 153 A 7.94 4.29 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