NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1831 8.2644 123.5730 51.9533 19.8950 175.7043 5 V 3.6159 8.1043 121.6021 60.1215 32.2854 173.4295 6 L 4.2189 8.8516 131.1981 54.1310 42.9651 174.5858 7 Y 4.3521 8.2853 124.1724 57.2585 39.4226 175.5365 8 K 4.5067 8.0837 123.1860 55.2927 35.4487 174.9921 9 S 5.6702 8.2369 112.3583 59.2059 64.9439 175.5432 10 N 4.9840 8.7665 121.7666 52.6923 38.6545 174.7617 11 H 4.4116 8.8675 112.7096 58.5519 29.0347 175.5938 12 N 5.0172 8.4451 112.7649 52.3820 40.6329 174.0421 13 V 4.5186 8.8235 119.3488 60.9619 34.8485 174.1789 14 V 4.7777 8.5317 127.8651 62.0916 32.6842 174.2052 15 Y 4.9848 8.9403 124.6977 56.6999 42.0448 174.0462 16 S 4.6001 8.8378 115.0096 57.8597 64.1770 172.8597 17 C 4.6685 9.4745 125.4973 57.8666 30.7870 173.0715 18 K 5.0388 8.1815 123.4463 54.6276 34.7364 175.1472 19 Y 5.1881 9.2114 121.8792 56.4750 42.4146 174.2068 20 H 5.3595 9.8216 123.6844 55.1811 31.3455 173.3472 21 I 5.2518 9.3356 127.9209 59.7171 39.7156 175.2934 22 V 5.3518 9.5895 126.0229 60.1997 35.2433 173.9248 23 W 5.6167 7.9888 122.5580 55.6210 31.8820 173.1355 24 C 5.3595 8.7442 116.6586 57.1576 31.7558 172.5391 25 P 4.8965 0.0000 0.0000 62.0746 32.0216 176.1057 26 K 3.9806 8.7650 121.7491 58.1772 32.4149 176.5170 27 Y 3.8206 8.6544 120.4673 58.3221 35.4720 169.8183 28 R 3.9246 8.0338 116.8788 57.0650 29.2542 176.6385 29 R 4.1386 7.7253 113.2976 56.0085 31.0852 177.7169 30 K 4.4761 8.3332 121.7764 56.1043 31.3796 177.8938 31 V 3.9672 7.3740 110.3904 62.2871 33.0477 177.9425 32 L 4.3445 7.7272 122.0178 53.5746 39.7787 175.2380 33 V 4.6685 6.9001 114.2633 59.6381 37.6683 178.0761 34 G 3.7570 8.3115 110.2401 46.5425 0.0000 176.1066 35 A 4.0511 8.6161 123.8663 54.8202 18.1130 179.5478 36 V 2.7827 7.2898 116.3316 65.8277 31.4641 177.8110 37 E 3.8947 8.1721 119.1104 59.4686 29.6803 178.3808 38 M 4.0579 7.9892 118.2840 58.7952 32.2298 178.4637 39 R 4.0376 8.5336 118.6845 58.9966 30.2668 178.5062 40 L 4.0948 8.1406 120.2868 58.4781 42.0783 179.3813 41 K 4.0892 8.1883 118.1812 59.3401 31.8553 179.3483 42 E 4.0157 8.1114 118.5408 59.4907 29.4369 179.3064 43 I 3.7679 8.2029 120.2246 64.6303 37.1396 178.6191 44 I 3.8716 7.9394 120.5570 64.3491 36.8703 178.4168 45 Q 4.0695 8.3133 118.9391 59.0814 28.5251 178.5606 46 E 3.9792 8.4073 119.6017 59.6861 29.5061 179.5394 47 V 3.6482 8.0553 117.6269 66.2165 31.5585 177.8577 48 A 4.0547 8.6258 120.7228 55.0544 18.1571 179.5633 49 K 3.8655 8.3278 118.1906 59.8276 32.1271 179.0402 50 E 4.0953 8.3650 117.6819 58.5215 29.3292 178.2793 51 L 4.3625 7.8291 117.0853 53.2566 42.1217 176.3439 52 R 3.7147 7.4177 115.7931 57.1296 28.2722 175.8749 53 V 4.2437 7.9260 117.2434 61.2153 33.0367 174.5328 54 E 4.2195 8.5236 129.2123 55.6114 30.9257 175.1447 55 I 4.4227 8.2473 128.4854 60.1407 36.8417 175.4958 56 I 3.9489 8.5166 129.5710 64.0905 37.6663 176.4183 57 E 4.7331 7.8663 119.9908 55.6116 33.1410 174.0456 58 M 4.9776 8.2494 122.3939 55.0939 35.2223 173.6815 59 Q 4.7379 9.0996 124.8411 54.5703 33.7170 174.1927 60 T 4.7501 8.4166 112.0540 59.7511 71.5057 174.1250 61 D 4.5792 7.9556 120.2310 53.3336 41.8881 174.8696 62 K 4.3673 8.2943 129.5116 57.4063 31.3280 177.9458 63 D 5.2889 7.4984 113.6561 52.3788 40.1605 174.5454 64 H 4.6559 7.2839 112.1613 55.4745 30.5730 172.1964 65 I 4.5204 7.6921 120.9503 59.4577 41.0988 173.5713 66 H 5.3021 9.1326 126.3385 54.2804 31.2301 173.8972 67 I 5.0481 8.8799 123.0375 59.5130 41.7085 173.8462 68 L 5.1877 9.1691 129.2550 53.4536 43.8065 174.8735 69 A 5.2279 9.0555 127.6574 50.1935 23.3200 173.7829 70 D 5.3920 9.0733 120.3849 52.8750 43.0754 175.3080 71 I 4.8323 8.7306 126.6958 58.9903 40.9242 175.2150 72 D 3.3700 8.7559 125.7997 53.5388 41.4915 175.1317 73 P 4.2581 0.0000 0.0000 66.2360 31.1694 178.1868 74 S 4.1941 8.2207 112.1917 60.9255 62.3769 175.5470 75 F 4.2704 8.2503 122.1583 59.2313 39.8200 175.6517 76 G 3.8360 8.1530 107.1167 45.9553 0.0000 174.7539 77 V 3.6247 8.1900 123.7707 65.0208 31.3868 178.5611 78 M 3.9766 7.7901 118.6958 57.6272 31.7947 178.4348 79 K 3.8140 7.5822 119.8812 59.1315 32.2185 178.7028 80 F 4.4186 8.1895 120.5336 61.5142 39.4993 177.0166 81 I 3.1881 7.8632 119.5011 64.0167 36.7611 178.3562 82 K 3.7120 8.2195 120.9031 59.6916 32.0017 179.0929 83 T 3.8485 7.8281 115.8641 66.3154 68.4349 176.8571 84 A 3.8944 7.8554 123.1840 54.8516 18.2794 179.9447 85 K 3.6065 7.5744 117.0328 59.1947 32.1504 179.7753 86 G 3.6031 7.9518 105.9976 47.8691 0.0000 175.6355 87 R 3.9371 8.0520 122.1101 58.9927 30.1612 178.6868 88 S 4.2930 8.0664 113.6286 61.4888 62.7778 176.4975 89 S 3.9293 8.5652 116.7857 61.1169 62.0729 176.0085 90 R 3.8662 8.0004 121.3277 59.6233 29.8407 178.6053 91 I 3.7712 8.1686 119.8792 64.4420 37.0759 178.5126 92 L 4.2694 8.4779 120.3084 57.9444 41.2120 179.8212 93 R 3.9387 8.1442 117.4205 58.9940 29.9961 178.7076 94 Q 4.1446 7.6859 117.4832 58.7347 28.9046 177.8915 95 E 4.1148 8.2161 118.6509 57.2857 30.4385 176.8775 96 F 4.5794 8.2167 117.6394 53.9732 39.9460 174.3371 97 N 4.1877 8.7117 124.4195 57.1241 38.6015 175.5649 98 H 4.3418 8.1529 117.1275 57.9926 27.1847 177.4657 99 L 3.9096 8.1371 122.1322 57.0781 41.0929 179.1031 100 K 4.2192 7.7468 118.7276 59.0966 32.4427 178.2862 101 T 4.1534 8.2768 110.2505 63.8046 68.8511 176.1003 102 K 4.4390 8.0832 118.4293 55.3659 33.0262 176.3857 103 L 4.9803 6.9024 117.3866 52.0170 45.3877 175.0528 104 P 4.4264 0.0000 0.0000 65.4876 31.6378 176.3348 105 T 4.6185 7.1529 106.0158 59.6477 72.0731 173.4697 106 L 3.6894 8.0177 123.5876 57.0438 42.2149 176.5813 107 W 5.1290 7.3888 116.6416 55.1384 31.6271 173.7974 108 T 4.6500 8.3422 108.9176 60.2429 70.7592 173.2777 109 N 4.5701 8.5977 116.9207 53.1286 37.7130 174.4633 110 S 4.7888 7.7151 113.6946 57.0798 65.6820 172.0621 111 C 4.9249 7.9748 114.1196 57.7515 32.2873 172.5154 112 F 4.9895 9.7747 121.8389 56.4993 41.8563 173.9711 113 I 5.1448 7.4029 125.3372 59.6886 40.9297 174.6202 114 S 4.7245 8.9239 120.8847 56.7714 66.4656 173.7955 115 T 4.7870 8.5748 112.8998 61.7184 70.0912 173.9391 116 V 4.4675 7.9745 120.5830 60.9494 34.5294 172.9693 117 G 4.2097 8.4220 110.4871 43.4091 0.0000 172.8382 118 G 3.5531 8.7035 107.2879 47.6694 0.0000 174.0078 119 A 4.5754 7.5950 121.9549 49.6939 20.7571 175.5144 120 P 4.5651 0.0000 0.0000 61.9648 33.7303 177.2547 121 L 3.9619 8.4974 119.8610 58.4135 41.7624 178.7351 122 N 4.3257 8.1326 116.3624 56.0519 37.2371 177.2290 123 V 3.5964 7.7251 120.2509 65.6923 31.8635 178.0486 124 V 3.6918 7.8102 117.8580 65.8762 31.2292 178.2064 125 K 4.0812 8.5215 118.9077 59.3144 31.9061 179.1098 126 Q 3.9562 8.5219 120.4610 59.1186 28.8559 177.7240 127 Y 4.0290 8.2696 120.6360 60.8647 38.7087 178.0403 128 I 3.5296 7.5036 118.8522 64.1994 37.2413 177.8235 129 E 4.0324 8.1908 119.4411 59.3889 29.6051 178.2924 130 N 4.4506 8.3129 115.6014 55.6867 39.9987 176.8351 131 Q 4.1725 7.5805 120.6837 52.7113 25.5698 175.8304 132 Q 4.1984 7.4270 123.7650 56.8093 29.2113 173.1372 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 4 A 8.26 4.18 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 5 V 8.10 3.62 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 -0.07 0.00 0.00 0.80 0.00 0.00 6 L 8.85 4.22 0.00 1.53 1.42 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.29 4.35 0.00 2.84 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 8 K 8.08 4.51 0.00 0.79 1.37 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.11 7.81 9 S 8.24 5.67 0.00 3.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.77 4.98 0.00 2.87 3.11 0.00 0.00 6.14 7.90 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 11 H 8.87 4.41 0.00 3.22 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.45 5.02 0.00 2.70 2.83 0.00 0.00 6.59 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 13 V 8.82 4.52 2.28 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 1.06 0.00 0.00 0.97 0.00 0.00 14 V 8.53 4.78 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 0.81 0.00 0.00 0.92 0.00 0.00 15 Y 8.94 4.98 0.00 3.12 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 16 S 8.84 4.60 0.00 3.54 3.84 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 0.00 0.00 0.00 17 C 9.47 4.67 0.00 3.27 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 18 K 8.18 5.04 0.00 1.80 1.63 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.48 7.81 19 Y 9.21 5.19 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.82 5.36 0.00 3.28 3.34 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.34 5.25 2.07 0.00 0.00 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 1.25 0.85 1.28 0.00 0.00 22 V 9.59 5.35 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 0.56 0.00 0.00 0.76 0.00 0.00 23 W 7.99 5.62 0.00 3.22 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 24 C 8.74 5.36 0.00 3.08 3.13 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 25 P 0.00 4.90 0.00 2.36 1.91 0.00 3.87 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 26 K 8.77 3.98 0.00 1.77 1.39 0.00 1.38 0.00 0.00 1.47 0.00 0.00 2.61 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.65 0.21 7.81 27 Y 8.65 3.82 0.00 3.20 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 28 R 8.03 3.92 0.00 1.97 2.01 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 29 R 7.73 4.14 0.00 1.92 1.89 0.00 3.42 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 30 K 8.33 4.48 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 31 V 7.37 3.97 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 0.72 0.00 0.00 0.85 0.00 0.00 32 L 7.73 4.34 0.00 1.67 1.67 1.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.90 4.67 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 0.75 0.00 0.00 0.95 0.00 0.00 34 G 8.31 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.62 4.05 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.29 2.78 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 0.81 0.00 0.00 -0.13 0.00 0.00 37 E 8.17 3.89 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 38 M 7.99 4.06 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 39 R 8.53 4.04 0.00 2.08 2.14 0.00 3.61 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.24 0.00 40 L 8.14 4.09 0.00 2.00 2.00 1.40 0.58 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 41 K 8.19 4.09 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 42 E 8.11 4.02 0.00 2.26 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 0.00 2.37 2.53 0.00 43 I 8.20 3.77 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 1.01 0.00 0.00 44 I 7.94 3.87 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 1.15 0.00 0.00 45 Q 8.31 4.07 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 46 E 8.41 3.98 0.00 2.29 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 2.38 2.55 0.00 47 V 8.06 3.65 2.37 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 1.27 0.00 0.00 1.02 0.00 0.00 48 A 8.63 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 3.87 0.00 1.85 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 E 8.36 4.10 0.00 2.18 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 0.00 2.37 2.57 0.00 51 L 7.83 4.36 0.00 1.84 1.52 1.03 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.42 3.71 0.00 1.71 1.91 0.00 3.02 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 53 V 7.93 4.24 1.74 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 -0.01 0.00 0.00 0.74 0.00 0.00 54 E 8.52 4.22 0.00 2.04 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 2.24 2.25 0.00 55 I 8.25 4.42 1.88 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 1.35 0.68 0.94 0.00 0.00 56 I 8.52 3.95 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 1.08 0.44 0.88 0.00 0.00 57 E 7.87 4.73 0.00 2.03 1.71 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 2.25 2.33 0.00 58 M 8.25 4.98 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 59 Q 9.10 4.74 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 60 T 8.42 4.75 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 61 D 7.96 4.58 0.00 2.50 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 0.00 0.00 0.00 0.00 62 K 8.29 4.37 0.00 2.03 1.93 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.40 7.81 63 D 7.50 5.29 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.28 4.66 0.00 3.28 3.36 0.00 5.39 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.69 4.52 1.53 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.24 -0.60 0.00 0.00 66 H 9.13 5.30 0.00 3.16 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.88 5.05 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.69 1.09 0.00 0.00 68 L 9.17 5.19 0.00 1.72 1.61 0.97 0.67 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 69 A 9.06 5.23 1.14 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 0.00 0.00 70 D 9.07 5.39 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 71 I 8.73 4.83 2.06 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 0.90 0.75 1.08 0.00 0.00 72 D 8.76 3.37 0.00 2.54 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.23 2.15 0.00 2.65 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 74 S 8.22 4.19 0.00 3.87 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 75 F 8.25 4.27 0.00 3.00 3.29 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 76 G 8.15 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.19 3.62 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 0.47 0.00 0.00 0.43 0.00 0.00 78 M 7.79 3.98 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 79 K 7.58 3.81 0.00 1.32 1.07 0.00 0.61 0.00 0.00 1.30 0.00 0.00 2.62 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.21 1.19 7.81 80 F 8.19 4.42 0.00 3.37 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 81 I 7.86 3.19 1.69 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 1.47 0.78 0.46 0.00 0.00 82 K 8.22 3.71 0.00 1.65 1.88 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 83 T 7.83 3.85 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 1.25 0.00 0.00 84 A 7.86 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.57 3.61 0.00 1.31 1.24 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.25 7.81 86 G 7.95 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 0.00 0.00 0.00 87 R 8.05 3.94 0.00 1.94 2.05 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 88 S 8.07 4.29 0.00 4.42 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 0.00 89 S 8.57 3.93 0.00 4.16 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 0.00 90 R 8.00 3.87 0.00 1.99 2.09 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 91 I 8.17 3.77 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.64 0.97 0.00 0.00 92 L 8.48 4.27 0.00 1.72 1.78 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.14 3.94 0.00 1.91 1.97 0.00 3.02 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 94 Q 7.69 4.14 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 95 E 8.22 4.11 0.00 1.75 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 96 F 8.22 4.58 0.00 3.09 2.80 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 97 N 8.71 4.19 0.00 2.74 2.88 0.00 0.00 6.84 7.89 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 98 H 8.15 4.34 0.00 3.47 3.58 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.14 3.91 0.00 1.74 1.63 0.78 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.75 4.22 0.00 1.88 2.00 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.47 7.81 101 T 8.28 4.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 102 K 8.08 4.44 0.00 1.89 1.92 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 103 L 6.90 4.98 0.00 1.70 1.65 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.43 0.00 2.17 2.23 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 105 T 7.15 4.62 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 1.16 0.00 0.00 106 L 8.02 3.69 0.00 1.44 0.89 0.43 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.39 5.13 0.00 3.18 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 0.00 108 T 8.34 4.65 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 1.32 0.00 0.00 109 N 8.60 4.57 0.00 2.82 2.94 0.00 0.00 5.78 7.64 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 0.00 110 S 7.72 4.79 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.97 4.92 0.00 3.25 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 0.00 112 F 9.77 4.99 0.00 3.15 3.05 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 0.00 113 I 7.40 5.14 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.91 0.00 0.00 114 S 8.92 4.72 0.00 3.84 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 0.00 115 T 8.57 4.79 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 1.08 0.00 0.00 116 V 7.97 4.47 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 0.63 0.00 0.00 0.92 0.00 0.00 117 G 8.42 4.21 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 0.00 0.00 0.00 118 G 8.70 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 4.58 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 0.00 120 P 0.00 4.57 0.00 2.28 2.20 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 121 L 8.50 3.96 0.00 1.79 1.73 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.13 4.33 0.00 3.00 3.08 0.00 0.00 5.89 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 0.00 123 V 7.73 3.60 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 1.05 0.00 0.00 0.95 0.00 0.00 124 V 7.81 3.69 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 1.03 0.00 0.00 0.97 0.00 0.00 125 K 8.52 4.08 0.00 2.07 1.86 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.58 7.81 126 Q 8.52 3.96 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 127 Y 8.27 4.03 0.00 3.05 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 0.00 128 I 7.50 3.53 2.03 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 1.52 0.97 0.90 0.00 0.00 129 E 8.19 4.03 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 130 N 8.31 4.45 0.00 2.77 2.80 0.00 0.00 7.13 7.73 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 0.00 131 Q 7.58 4.17 0.00 1.60 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 1.56 1.31 0.00 132 Q 7.43 4.20 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00