NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9583 8.2133 108.0222 45.6854 0.0000 172.0562 3 D 5.1549 8.6027 121.5092 54.2026 42.9343 175.9124 4 K 5.1494 8.9373 126.4803 56.0415 35.9201 173.7555 5 T 4.7310 9.0381 116.2746 60.6998 71.8237 171.8047 6 K 5.0663 8.5665 124.2173 54.5421 34.3076 175.2301 7 V 4.5530 8.6026 125.9409 60.9249 35.5084 174.4659 8 Q 4.5146 8.6008 127.4552 55.5484 30.0480 176.9097 9 V 3.6236 8.9262 125.3122 66.0550 31.6542 178.2976 10 S 4.2138 7.7673 112.8708 60.4399 62.7381 174.9938 11 K 4.3169 7.8795 118.9466 56.5111 32.4404 176.9513 12 L 4.2576 7.5853 119.8704 54.6093 42.3829 176.4487 13 K 4.6522 8.0831 119.7529 53.9840 36.2890 174.1399 14 P 4.5403 0.0000 0.0000 64.1671 31.6775 177.2081 15 G 3.8094 9.1341 109.8836 45.3224 0.0000 173.7939 16 R 4.3024 7.4171 118.7908 55.3113 32.6758 174.5855 17 Y 5.2176 8.1302 116.1987 56.9720 41.6014 175.1768 18 I 4.6063 8.7875 119.1369 60.3829 42.1796 172.9695 19 I 4.9652 8.6209 128.9008 59.8702 38.5656 175.5020 20 I 4.4431 8.2758 127.4756 60.4852 40.1688 175.4251 21 D 4.3162 9.4230 126.2436 55.9357 37.9275 173.4679 22 D 4.4921 8.3880 111.8351 55.0802 39.0047 173.4619 23 E 4.7226 7.8479 119.8059 53.3718 32.2104 172.8728 24 P 4.9299 0.0000 0.0000 63.0903 32.6804 174.9563 25 C 5.4204 9.5586 121.7489 57.8174 32.5360 172.7715 26 R 4.5239 8.7909 122.6130 55.0422 31.6360 175.4227 27 I 4.2594 8.6754 128.1984 61.6396 37.4917 176.9068 28 V 4.2637 8.5802 120.6250 62.2734 33.2629 175.9172 29 N 4.8431 7.6485 116.8357 52.5332 42.2590 173.2088 30 I 5.0855 8.3324 125.1750 59.8766 41.1954 174.7956 31 T 4.5276 8.7913 122.4760 61.8442 71.8046 172.9007 32 V 4.6695 8.4912 126.8719 61.5288 33.3830 174.9865 33 S 4.2486 9.0156 124.7748 57.2400 64.1939 174.3127 34 S 3.9059 9.2128 120.2426 62.8263 63.3190 175.3357 35 P 4.0714 0.0000 0.0000 64.2068 32.0335 176.8627 36 G 3.9960 8.0176 107.9216 44.7951 0.0000 172.9288 37 K 4.4966 8.3548 117.9047 56.0810 33.0550 176.3690 38 H 4.5943 8.3434 117.7622 59.3116 31.2309 174.7483 39 G 3.9440 6.9983 110.7611 45.4139 0.0000 176.5727 40 S 4.5514 8.8027 123.1372 57.0907 64.8352 171.9811 41 A 5.1477 8.8861 120.7795 52.4307 19.1036 177.1402 42 K 5.1158 8.9552 119.5546 55.1577 37.0084 174.9073 43 A 5.1693 9.1791 122.8521 50.1963 22.3285 175.0108 44 R 4.7585 9.0984 123.4728 54.9764 31.9373 174.8941 45 I 4.8747 9.0159 128.3166 59.5994 39.5128 174.2179 46 E 5.1277 9.2028 128.4089 54.3709 32.1617 174.5696 47 A 5.2224 9.4081 127.5099 50.3849 23.6961 174.4697 48 V 4.7802 8.5696 118.6996 60.5729 34.8297 175.2471 49 G 3.9160 9.0995 115.7872 46.6881 0.0000 174.5090 50 I 3.7087 8.7855 127.2505 64.1346 37.5001 177.4540 51 F 4.5214 8.3364 117.8223 59.4295 39.3360 176.7588 52 D 4.5235 8.5199 116.8516 53.0362 39.9231 177.2512 53 G 3.9124 8.2130 107.5989 45.8276 0.0000 173.8815 54 K 4.2937 8.2949 119.9095 55.9606 33.4276 176.4134 55 V 4.4947 8.2640 123.5966 62.5444 32.7716 175.3813 56 R 4.8118 9.3904 125.6606 54.5902 34.3875 174.3889 57 S 5.3231 8.7133 118.1531 56.8498 66.4060 173.2912 58 I 4.7946 8.9743 117.3711 59.0990 41.5325 174.1185 59 V 4.9366 8.3136 121.8657 61.2289 34.0264 174.7287 60 K 4.7803 8.9667 125.5185 54.0214 37.0981 174.3170 61 P 4.7242 0.0000 0.0000 62.6315 32.0596 177.9460 62 T 4.0480 8.6099 112.1599 63.9661 68.8776 176.4387 63 S 4.2016 7.9378 115.6111 60.0754 63.8915 174.0893 64 A 4.3954 7.7735 123.5908 51.7650 19.6587 175.9610 65 E 5.1783 8.5907 117.6132 54.8624 32.7881 176.0712 66 V 4.6321 8.7075 114.6160 59.6556 36.7453 174.3063 67 D 5.1284 8.5558 121.5863 53.8832 42.5228 175.7417 68 V 4.8332 8.8260 122.9894 60.3995 34.6608 172.5113 69 P 5.0347 0.0000 0.0000 62.2527 32.7088 175.2072 70 I 4.1505 8.8353 124.8276 60.4065 38.1107 175.1725 71 I 4.3845 8.0254 128.2216 59.6344 38.6880 174.9486 72 D 4.6322 8.6279 127.6732 53.1107 42.7305 175.8294 73 K 4.7938 8.1993 120.8197 54.5617 34.9409 175.5791 74 K 4.6263 8.1335 122.9694 54.8552 37.2789 175.1042 75 T 5.0256 8.4006 117.5883 62.6875 70.3943 174.0713 76 A 5.3303 9.4222 126.9764 50.4775 23.8022 174.0704 77 Q 4.9412 8.6555 119.5759 54.0917 32.3698 174.8057 78 V 3.8687 8.6640 126.5861 63.3938 31.8863 176.2228 79 I 4.1017 9.0499 129.5360 63.2518 38.4901 176.6661 80 A 4.8062 7.6722 121.9875 50.8193 22.6044 175.0499 81 I 4.7976 9.3599 123.9837 59.7669 39.5274 175.2306 82 T 4.6235 8.7471 121.0327 59.1245 70.1109 172.7000 83 P 4.4355 0.0000 0.0000 64.6229 31.4502 177.0022 84 D 5.0859 7.8961 115.6406 54.0250 43.9130 175.5490 85 T 5.1380 7.7692 107.0196 60.1252 73.0709 172.6398 86 V 4.7197 8.7133 122.3292 61.1964 34.3018 173.8188 87 Q 5.1199 9.2310 130.2282 54.5989 30.6237 174.2737 88 I 5.1536 8.7752 119.4083 59.3304 41.9237 173.9012 89 M 5.0472 8.5614 121.8430 53.4807 35.7312 173.8188 90 D 5.0857 9.0676 126.5940 54.9101 42.1418 176.7891 91 M 4.2175 9.3754 125.6977 56.4786 32.3051 176.5256 92 E 4.7132 9.1268 116.9373 57.4931 31.5242 177.2965 93 T 4.2536 8.4172 107.2231 61.4629 69.6633 174.9009 94 Y 3.2191 8.0554 117.9802 58.2652 36.2481 169.0847 95 E 4.0420 7.8423 121.7907 56.5264 30.7412 175.8481 96 T 4.7457 7.9329 122.1166 62.3018 70.6364 174.0834 97 F 4.9198 8.8928 122.1518 55.8778 43.7992 173.7924 98 E 5.0307 8.9031 120.5802 54.9844 32.3901 175.3503 99 V 4.6767 8.4393 118.2379 58.3163 35.4435 173.8429 100 P 4.6701 0.0000 0.0000 62.9241 31.8070 177.1068 101 I 3.4482 8.6738 123.5885 64.2396 37.7322 176.0836 102 D 4.5623 8.4172 122.5120 55.5030 40.1946 178.1806 103 T 3.9866 7.7773 114.4039 63.2175 69.7128 175.6687 104 G 3.9862 8.1848 110.1348 45.7064 0.0000 173.1208 105 V 4.7218 7.3222 118.1634 60.3240 34.8145 174.9619 106 A 4.0369 8.4920 129.8149 51.9993 19.1846 178.1926 107 D 4.3597 8.8859 122.7228 57.5178 40.9915 178.5125 108 E 4.3005 8.0531 114.0448 57.6545 29.7750 176.9171 109 I 4.5655 7.7879 111.0642 60.0142 39.5039 176.9243 110 R 3.8660 7.7890 121.3002 59.8251 29.8817 178.1928 111 D 4.3704 8.0345 115.4954 56.8163 40.9246 176.9681 112 Q 4.3547 7.8012 116.0392 55.8061 29.3184 176.1684 113 L 4.1515 7.2363 118.9530 54.8842 42.1193 176.4271 114 K 4.6009 8.1076 121.3232 54.7199 35.2399 175.0649 115 E 3.9976 8.5336 124.5720 57.9212 29.8938 177.4733 116 G 4.0032 9.3356 112.3443 44.9563 0.0000 173.7613 117 I 4.2501 7.2170 113.0801 60.3995 39.6944 174.8565 118 N 5.2802 8.5617 120.3490 52.6453 40.7063 174.4714 119 V 4.9958 9.1897 114.5456 59.9056 37.2353 173.5598 120 E 5.2250 9.3946 123.3418 54.7951 31.5479 174.3210 121 Y 5.3085 8.8779 124.7871 55.0479 41.6822 174.4412 122 W 5.3540 9.4253 120.0748 54.9847 32.9840 174.3898 123 E 5.2913 9.0012 123.3671 54.8478 32.6572 174.3445 124 T 4.9252 9.1825 121.0092 61.3137 71.4138 173.5442 125 L 3.6204 9.8758 129.2926 56.0165 39.6553 176.2579 126 G 4.0361 8.6308 106.4243 45.7431 0.0000 174.6514 127 R 4.4036 7.6728 119.4779 55.2443 31.7772 175.5144 128 I 5.2057 8.2326 122.9362 59.6179 40.2370 175.0411 129 K 4.8239 9.1001 126.4493 55.0224 36.1033 174.9634 130 I 4.3218 9.0405 129.2849 61.6114 37.3912 176.1186 131 M 3.9409 8.6264 127.3915 56.4040 33.4809 176.9024 132 R 4.7031 7.5542 114.9495 54.6095 35.3035 174.1241 133 I 4.6245 8.1365 121.8553 59.7006 38.6552 175.9218 134 K 4.0843 9.0028 127.9171 56.5859 32.4856 177.4259 135 G 4.0124 8.5229 114.1429 43.0349 0.0000 172.3879 136 E 3.8020 8.4474 116.6882 57.6889 29.7580 177.6188 137 G 4.0180 8.7048 108.1115 45.9475 0.0000 173.2345 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 8.21 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.60 5.15 0.00 2.76 2.16 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 4 K 8.94 5.15 0.00 1.61 1.70 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.40 7.81 5 T 9.04 4.73 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 1.28 0.00 0.00 6 K 8.57 5.07 0.00 1.78 1.65 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.40 7.81 7 V 8.60 4.55 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 0.98 0.00 0.00 0.94 0.00 0.00 8 Q 8.60 4.51 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.63 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 9 V 8.93 3.62 2.34 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 0.92 0.00 0.00 0.96 0.00 0.00 10 S 7.77 4.21 0.00 4.00 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 11 K 7.88 4.32 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 12 L 7.59 4.26 0.00 1.71 1.58 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 4.65 0.00 1.77 1.60 0.00 1.55 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.50 7.81 14 P 0.00 4.54 0.00 2.00 2.11 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 15 G 9.13 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 16 R 7.42 4.30 0.00 1.87 1.86 0.00 3.12 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 17 Y 8.13 5.22 0.00 2.81 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 18 I 8.79 4.61 1.90 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 1.26 0.97 0.94 0.00 0.00 19 I 8.62 4.97 1.91 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 1.29 0.78 0.95 0.00 0.00 20 I 8.28 4.44 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 0.93 0.00 0.00 21 D 9.42 4.32 0.00 2.84 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 22 D 8.39 4.49 0.00 2.84 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 23 E 7.85 4.72 0.00 2.02 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 2.27 2.36 0.00 24 P 0.00 4.93 0.00 2.26 2.29 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 25 C 9.56 5.42 0.00 2.96 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 26 R 8.79 4.52 0.00 2.03 1.79 0.00 3.23 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 0.00 27 I 8.68 4.26 1.94 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 1.19 0.57 0.92 0.00 0.00 28 V 8.58 4.26 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 0.60 0.00 0.00 0.96 0.00 0.00 29 N 7.65 4.84 0.00 2.79 2.58 0.00 0.00 6.99 7.70 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 30 I 8.33 5.09 1.85 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 1.33 0.76 0.90 0.00 0.00 31 T 8.79 4.53 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 32 V 8.49 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 0.79 0.00 0.00 0.93 0.00 0.00 33 S 9.02 4.25 0.00 3.76 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.21 3.91 0.00 3.88 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 35 P 0.00 4.07 0.00 2.04 2.10 0.00 3.80 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 2.02 2.07 0.00 36 G 8.02 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 0.00 0.00 0.00 37 K 8.35 4.50 0.00 1.67 1.77 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.45 7.81 38 H 8.34 4.59 0.00 3.14 3.30 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.00 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 40 S 8.80 4.55 0.00 3.88 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 41 A 8.89 5.15 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 42 K 8.96 5.12 0.00 1.90 1.85 0.00 1.26 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 43 A 9.18 5.17 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 44 R 9.10 4.76 0.00 1.86 1.81 0.00 3.06 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 45 I 9.02 4.87 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 1.11 0.61 0.91 0.00 0.00 46 E 9.20 5.13 0.00 1.99 1.76 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 2.18 2.22 0.00 47 A 9.41 5.22 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 48 V 8.57 4.78 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 1.04 0.00 0.00 0.93 0.00 0.00 49 G 9.10 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 50 I 8.79 3.71 1.65 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.27 0.00 0.00 51 F 8.34 4.52 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 52 D 8.52 4.52 0.00 2.80 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 53 G 8.21 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 54 K 8.29 4.29 0.00 1.76 1.75 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81 55 V 8.26 4.49 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 0.78 0.00 0.00 0.93 0.00 0.00 56 R 9.39 4.81 0.00 1.67 1.76 0.00 3.30 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 57 S 8.71 5.32 0.00 3.69 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 58 I 8.97 4.79 1.88 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 1.12 0.96 0.92 0.00 0.00 59 V 8.31 4.94 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 0.90 0.00 0.00 0.94 0.00 0.00 60 K 8.97 4.78 0.00 1.66 1.61 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.56 7.81 61 P 0.00 4.72 0.00 2.17 1.96 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 62 T 8.61 4.05 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 63 S 7.94 4.20 0.00 4.00 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 64 A 7.77 4.40 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 65 E 8.59 5.18 0.00 1.83 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 2.20 2.29 0.00 66 V 8.71 4.63 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 0.74 0.00 0.00 0.99 0.00 0.00 67 D 8.56 5.13 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.83 4.83 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 1.04 0.00 0.00 0.99 0.00 0.00 69 P 0.00 5.03 0.00 2.11 2.07 0.00 3.91 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 1.94 2.07 0.00 70 I 8.84 4.15 1.91 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 0.82 0.84 0.00 0.00 71 I 8.03 4.38 1.20 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.34 0.34 0.00 0.00 72 D 8.63 4.63 0.00 2.51 2.44 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 73 K 8.20 4.79 0.00 1.37 1.55 0.00 1.61 0.00 0.00 0.79 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.80 7.81 74 K 8.13 4.63 0.00 0.90 1.71 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.07 1.49 7.81 75 T 8.40 5.03 4.30 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 1.31 0.00 0.00 76 A 9.42 5.33 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 77 Q 8.66 4.94 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 78 V 8.66 3.87 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 0.88 0.00 0.00 0.98 0.00 0.00 79 I 9.05 4.10 1.94 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 1.27 0.93 0.89 0.00 0.00 80 A 7.67 4.81 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 81 I 9.36 4.80 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 1.11 0.69 0.91 0.00 0.00 82 T 8.75 4.62 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 1.31 0.00 0.00 83 P 0.00 4.44 0.00 2.08 2.10 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 84 D 7.90 5.09 0.00 2.68 2.64 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 85 T 7.77 5.14 4.39 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 1.21 0.00 0.00 86 V 8.71 4.72 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 0.93 0.00 0.00 0.93 0.00 0.00 87 Q 9.23 5.12 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.43 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 88 I 8.78 5.15 1.85 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.90 0.00 0.00 89 M 8.56 5.05 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.18 0.00 90 D 9.07 5.09 0.00 3.19 2.69 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 91 M 9.38 4.22 0.00 2.04 2.14 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 2.64 2.52 0.00 92 E 9.13 4.71 0.00 2.08 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 2.44 2.32 0.00 93 T 8.42 4.25 4.34 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 1.33 0.00 0.00 94 Y 8.06 3.22 0.00 3.19 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 95 E 7.84 4.04 0.00 1.95 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 2.02 0.00 96 T 7.93 4.75 4.07 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 1.15 0.00 0.00 97 F 8.89 4.92 0.00 2.76 2.72 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 98 E 8.90 5.03 0.00 1.80 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 2.19 2.29 0.00 99 V 8.44 4.68 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 0.85 0.00 0.00 1.01 0.00 0.00 100 P 0.00 4.67 0.00 2.37 2.18 0.00 3.71 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 2.19 1.97 0.00 101 I 8.67 3.45 1.91 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 1.28 1.08 0.91 0.00 0.00 102 D 8.42 4.56 0.00 2.87 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 0.00 103 T 7.78 3.99 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 104 G 8.18 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 0.00 0.00 0.00 0.00 105 V 7.32 4.72 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.98 0.00 0.00 106 A 8.49 4.04 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 0.00 107 D 8.89 4.36 0.00 2.68 2.72 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 0.00 108 E 8.05 4.30 0.00 2.04 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 0.00 2.20 2.24 0.00 109 I 7.79 4.57 1.84 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 1.24 0.85 0.87 0.00 0.00 110 R 7.79 3.87 0.00 2.03 1.97 0.00 3.08 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 111 D 8.03 4.37 0.00 2.68 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 0.00 112 Q 7.80 4.35 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 113 L 7.24 4.15 0.00 1.70 1.60 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.11 4.60 0.00 1.73 1.58 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.46 7.81 115 E 8.53 4.00 0.00 2.00 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 2.31 2.31 0.00 116 G 9.34 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 0.00 0.00 0.00 117 I 7.22 4.25 1.88 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 1.57 0.57 0.91 0.00 0.00 118 N 8.56 5.28 0.00 2.69 2.79 0.00 0.00 6.63 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 0.00 119 V 9.19 5.00 2.22 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 0.71 0.00 0.00 1.00 0.00 0.00 120 E 9.39 5.22 0.00 2.04 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 2.44 2.40 0.00 121 Y 8.88 5.31 0.00 3.13 2.97 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 0.00 0.00 0.00 122 W 9.43 5.35 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.00 5.29 0.00 2.07 1.76 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 2.28 2.49 0.00 124 T 9.18 4.93 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 1.40 0.00 0.00 125 L 9.88 3.62 0.00 1.82 1.76 0.95 1.02 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 0.00 126 G 8.63 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.67 4.40 0.00 1.81 1.07 0.00 2.39 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 128 I 8.23 5.21 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.30 0.73 0.00 0.00 129 K 9.10 4.82 0.00 1.90 1.46 0.00 1.33 0.00 0.00 1.21 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.11 1.41 7.81 130 I 9.04 4.32 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 1.24 0.58 0.91 0.00 0.00 131 M 8.63 3.94 0.00 1.03 1.32 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.88 0.00 132 R 7.55 4.70 0.00 1.72 1.74 0.00 3.23 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 133 I 8.14 4.62 1.87 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 1.34 0.51 0.97 0.00 0.00 134 K 9.00 4.08 0.00 1.69 1.77 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.58 7.81 135 G 8.52 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.45 3.80 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 2.30 2.36 0.00 137 G 8.70 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 0.00 0.00 0.00