NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4817 8.3049 120.3304 55.4786 33.2799 174.3726 2 M 4.4975 8.5846 123.4540 52.8886 34.5183 170.1271 3 V 4.3852 8.2905 122.0694 60.7035 34.3317 174.1404 4 W 4.6316 8.9667 135.0000 57.5085 31.1502 175.4189 5 T 4.0249 8.1283 123.6494 61.3338 67.2408 172.4560 6 P 4.5652 0.0000 0.0000 63.3627 32.2066 175.8106 7 V 4.3162 7.2280 118.0888 60.9244 33.9891 174.9008 8 N 4.6644 8.5515 122.5123 52.7038 37.8987 174.7896 9 N 5.0724 8.2228 125.2284 52.6543 39.7444 174.7181 10 K 4.0358 8.4031 116.3988 56.6502 32.7388 176.7101 11 M 4.9402 8.3173 121.4280 54.0678 35.1308 175.6119 12 F 4.5944 8.4266 116.7485 57.1024 41.1338 176.1168 13 E 3.4809 8.3744 122.6117 57.1840 27.9944 175.5286 14 T 3.9016 8.3575 122.0150 66.4723 68.9305 174.2629 15 F 4.5317 9.0718 124.1593 57.5987 36.6356 176.4397 16 S 4.4621 8.2698 114.9426 60.4635 63.0212 174.5182 17 Y 4.3841 8.2919 117.2743 58.1579 38.1568 175.1247 18 L 4.6911 7.5158 120.1724 52.2622 43.5057 174.6411 19 P 4.4585 0.0000 0.0000 61.8722 31.8200 174.9573 20 P 4.2896 0.0000 0.0000 62.9471 31.7594 176.4004 21 L 4.0450 8.3117 122.7605 54.5880 42.2637 177.8969 22 T 4.2061 8.1937 113.8640 61.2197 70.9824 175.2809 23 D 4.3331 8.5520 121.1071 57.6149 40.7978 178.6922 24 E 3.9144 8.1458 119.1983 59.4692 29.7325 178.8178 25 Q 3.9362 8.0197 118.1090 58.7319 28.7266 178.7080 26 I 3.7293 8.0381 120.8986 64.3831 37.1417 178.1687 27 A 4.0408 8.3546 121.7220 55.3211 18.1853 179.5608 28 A 3.9586 8.0912 119.1461 55.3642 18.4408 179.9454 29 Q 4.0825 8.0427 116.2433 59.0961 28.7864 179.0415 30 V 3.7535 8.1790 119.3875 66.1445 31.5596 177.7231 31 D 4.4203 8.4977 118.9098 57.5179 40.5709 178.1488 32 Y 4.2056 8.0678 119.8748 60.7691 38.8108 178.1089 33 I 3.8998 7.9306 120.5909 64.6167 37.2928 178.6137 34 V 3.4904 7.8131 118.5283 66.0081 31.1992 177.6895 35 A 3.8812 8.0380 119.5966 54.9218 18.2158 178.4097 36 N 4.0868 7.1352 111.5067 52.1274 38.7070 175.6966 37 G 3.7536 7.4413 108.3493 46.1440 0.0000 174.0942 38 W 4.9777 7.4906 118.8212 55.9542 30.8127 176.3587 39 I 4.3773 8.8812 123.2182 59.5298 37.8054 174.0485 40 P 4.8799 0.0000 0.0000 62.9411 32.7221 175.1990 41 C 4.9994 8.8878 121.4721 58.3901 35.5790 172.4668 42 L 5.3486 8.7491 123.6483 53.2073 44.5634 175.1957 43 E 5.6333 9.1898 120.7814 55.0077 34.1963 174.5326 44 F 5.6042 9.1214 116.0035 56.0997 42.0711 172.8952 45 A 4.5011 8.1999 119.7585 50.3217 22.6003 176.2696 46 E 4.2692 8.5961 118.5886 55.6816 30.7830 177.6154 47 A 4.2411 8.9102 123.2322 55.9050 18.3838 179.9691 48 D 4.4477 8.1703 113.4146 56.5874 41.0251 177.3269 49 K 4.5925 7.9773 117.0475 56.0564 32.4746 176.9200 50 A 3.8926 7.6238 124.6749 53.9613 18.8626 178.3298 51 Y 4.7477 7.4222 111.5945 55.4701 40.1997 175.9214 52 V 3.8195 8.3884 122.1130 62.7192 31.6034 175.4831 53 S 4.7302 8.9253 116.4965 57.5086 66.2694 173.7062 54 N 5.2627 8.5734 114.2451 52.4365 39.8831 176.2240 55 E 3.9778 8.3290 119.0710 59.8069 29.3455 179.2014 56 S 3.9796 8.7623 115.4595 60.6818 62.8404 176.0982 57 A 2.5800 7.5645 123.3571 53.7146 17.7253 179.0390 58 I 3.5492 6.9603 116.8731 63.8269 38.0016 177.1335 59 R 4.2436 7.5559 116.4043 55.7477 30.5464 176.2153 60 F 5.1060 7.1866 118.0838 55.8135 41.3353 177.7093 61 G 4.0135 8.2651 116.1139 46.1967 0.0000 175.0825 62 S 4.6164 8.4376 113.4996 58.8767 62.3790 174.4869 63 V 4.4343 7.2937 107.3219 61.1838 33.1274 177.5804 64 S 4.4954 8.2098 114.7594 59.3817 63.5877 173.3177 65 C 4.0052 8.0822 119.0169 61.5611 27.9183 173.1923 66 L 3.5823 8.4246 123.2185 55.6179 38.9316 173.2131 67 Y 4.3431 7.8213 119.8263 55.9906 39.8759 174.5931 68 Y 4.8738 7.1273 123.3358 56.3227 42.3624 174.7304 69 D 4.4972 8.8904 123.4807 55.3792 41.7020 176.8855 70 N 4.4750 8.8907 116.5898 54.2537 35.9620 176.0807 71 R 3.9542 7.9893 118.6353 59.3381 30.3916 177.1380 72 Y 4.3718 7.6876 114.4767 57.9334 38.3732 175.2015 73 W 5.0746 8.6401 123.9882 55.3263 32.6801 174.5781 74 T 4.2441 8.1887 117.3400 62.7978 69.3279 174.6352 75 M 4.4831 8.5186 126.7011 55.2978 33.1338 175.2173 76 W 4.7860 9.5407 135.0000 56.3837 31.3181 176.9870 77 K 3.4273 8.5443 128.8367 57.5104 30.8345 178.1737 78 L 4.9284 8.2940 124.4009 52.6368 45.1730 173.9878 79 P 4.3228 0.0000 0.0000 63.4721 32.2212 177.6178 80 M 4.3170 8.7928 123.5219 53.7016 30.4608 175.8484 81 F 4.4848 7.3373 118.2468 58.9703 40.0002 176.6349 82 G 4.0081 9.1384 112.8647 45.4737 0.0000 173.1126 83 C 4.2643 7.9167 120.8965 59.7567 31.7696 173.1747 84 R 4.5478 8.6394 123.8634 55.4989 31.5031 174.4414 85 D 4.8086 7.7856 118.3003 51.4467 42.6724 174.4055 86 P 4.3401 0.0000 0.0000 66.0244 31.2342 178.5116 87 M 4.1240 8.2815 117.4441 58.2408 31.7890 178.5440 88 Q 3.9600 8.0247 119.4747 59.0931 29.2163 178.4760 89 V 3.6033 7.7628 118.7337 66.0869 31.6829 177.7961 90 L 4.0061 8.0197 118.6646 57.9584 41.4238 179.7826 91 R 3.9732 8.2969 118.1414 59.2844 29.9445 179.0137 92 E 4.1118 8.2234 118.5017 59.2124 29.4524 179.2728 93 I 3.5063 7.8790 120.0798 64.2963 37.1904 178.4978 94 V 3.4694 7.6604 118.6099 65.9805 31.3607 177.9236 95 A 3.9431 8.0291 120.4692 55.1135 18.2113 179.1183 96 C 2.0000 7.6536 117.6724 62.1046 31.2250 176.0586 97 T 3.7083 7.5164 111.1450 64.3216 67.9761 176.3962 98 K 3.8165 7.6338 121.8180 59.3485 32.3254 178.4436 99 A 3.9867 7.5634 119.9009 53.4894 19.7066 177.6272 100 F 4.7091 7.7948 115.7818 54.9349 39.0816 173.9769 101 P 4.3826 0.0000 0.0000 64.3193 31.8211 177.9158 102 D 4.6226 8.0511 116.3692 53.9045 41.2680 175.6300 103 A 4.7079 7.3258 121.4723 50.6574 21.0429 177.0151 104 Y 4.2091 8.6469 117.8179 57.8188 39.4469 175.2655 105 V 5.2775 8.9697 123.2197 61.1456 35.2288 174.2720 106 R 4.9973 9.4719 123.9208 54.2616 33.0120 173.8696 107 L 4.8571 8.0816 123.4436 53.8683 43.8767 175.6909 108 V 4.7840 8.6565 118.3646 59.4631 36.3893 174.1612 109 A 4.9010 8.0959 121.5434 50.4604 22.7769 175.1522 110 F 5.2128 9.0492 119.9419 55.7784 42.3604 174.2210 111 D 5.3689 8.8611 122.9139 52.7425 42.3251 176.6638 112 N 4.7239 9.1632 123.0687 54.3806 38.4034 176.4603 113 Q 4.1741 8.4098 118.0329 59.0146 29.0825 177.4714 114 K 4.0260 8.5874 115.1990 57.0235 32.8561 176.7830 115 Q 3.4269 8.0481 118.4962 55.8616 27.0101 172.7034 116 V 4.4964 7.8091 117.2280 60.0584 35.0105 174.0679 117 Q 4.2951 8.7756 123.3802 56.6297 29.2779 175.6051 118 I 4.2020 8.1653 124.8325 61.2388 39.8843 174.3567 119 M 4.5859 6.6901 117.5045 54.3488 34.4805 173.6692 120 G 4.8964 8.2528 107.0265 47.1992 0.0000 172.3477 121 F 5.0155 7.1456 115.8073 55.2201 41.0734 172.8673 122 L 4.4674 8.8499 123.1444 55.7237 41.8867 176.8250 123 V 4.4506 8.8570 118.8019 61.5988 33.8569 175.8143 124 Q 4.5637 7.7878 121.4005 54.3176 32.4469 173.3294 125 R 4.2623 8.0975 121.9280 52.8665 32.5138 173.6234 126 P 4.1382 0.0000 0.0000 62.8461 31.5505 177.4038 127 K 4.1899 8.4402 119.7620 59.0400 32.8092 177.9817 128 S 4.2834 7.9444 112.9879 59.5573 63.5718 174.3045 129 A 4.3283 7.8363 125.9204 52.6146 18.4031 177.3075 130 R 4.7080 8.7310 118.0438 55.9728 30.5860 174.9819 131 D 5.1105 8.6365 116.3484 53.2225 39.7192 175.3917 132 W 5.5826 7.7304 114.8294 55.4108 31.3352 173.9252 133 Q 4.3402 8.4124 117.7114 52.9137 31.1683 174.1693 134 P 4.4580 0.0000 0.0000 62.3494 31.9633 176.9651 135 A 3.9814 8.9370 123.1677 55.6599 18.1319 179.1614 136 N 4.6727 8.0589 108.9952 53.6125 37.7802 175.4351 137 K 4.4281 7.7165 117.3546 56.3805 32.9429 177.3789 138 R 3.5750 7.5367 120.3237 57.8127 30.1243 176.6423 139 S 5.0338 7.4389 110.1943 56.3324 66.1179 174.2394 140 V 3.9882 8.5099 114.5287 61.7546 32.2204 175.6283 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.50 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 3 V 8.29 4.39 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 1.09 0.00 0.00 0.97 0.00 0.00 4 W 8.97 4.63 0.00 3.46 3.04 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 5 T 8.13 4.02 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 1.02 0.00 0.00 6 P 0.00 4.57 0.00 2.23 2.19 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.23 4.32 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 0.80 0.00 0.00 0.91 0.00 0.00 8 N 8.55 4.66 0.00 2.72 2.83 0.00 0.00 6.65 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 9 N 8.22 5.07 0.00 2.69 2.68 0.00 0.00 7.26 6.68 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 10 K 8.40 4.04 0.00 2.02 1.55 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.49 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.34 1.48 7.81 11 M 8.32 4.94 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 12 F 8.43 4.59 0.00 3.14 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 13 E 8.37 3.48 0.00 2.14 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 2.14 0.00 14 T 8.36 3.90 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 0.21 0.00 0.00 15 F 9.07 4.53 0.00 3.29 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.27 4.46 0.00 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 0.00 17 Y 8.29 4.38 0.00 3.05 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 18 L 7.52 4.69 0.00 1.84 1.61 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.05 2.02 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 20 P 0.00 4.29 0.00 2.07 2.02 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 21 L 8.31 4.04 0.00 1.59 1.49 0.35 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 4.21 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 1.19 0.00 0.00 23 D 8.55 4.33 0.00 2.70 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 24 E 8.15 3.91 0.00 2.02 1.92 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 2.35 2.39 0.00 25 Q 8.02 3.94 0.00 2.30 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.04 3.73 2.06 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 1.68 0.86 1.07 0.00 0.00 27 A 8.35 4.04 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 28 A 8.09 3.96 1.37 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 0.00 0.00 29 Q 8.04 4.08 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.88 0.00 30 V 8.18 3.75 2.30 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 1.14 0.00 0.00 1.11 0.00 0.00 31 D 8.50 4.42 0.00 2.98 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 32 Y 8.07 4.21 0.00 3.24 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 33 I 7.93 3.90 2.17 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 1.70 0.89 1.07 0.00 0.00 34 V 7.81 3.49 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.04 3.88 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 36 N 7.14 4.09 0.00 1.44 1.42 0.00 0.00 7.05 8.94 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 37 G 7.44 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 W 7.49 4.98 0.00 3.36 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 39 I 8.88 4.38 2.12 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.72 0.00 0.00 40 P 0.00 4.88 0.00 2.09 1.99 0.00 3.80 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 2.14 2.13 0.00 41 C 8.89 5.00 0.00 3.09 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 42 L 8.75 5.35 0.00 1.85 1.62 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.19 5.63 0.00 2.04 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 0.00 2.37 2.33 0.00 44 F 9.12 5.60 0.00 3.06 3.04 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 45 A 8.20 4.50 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.60 4.27 0.00 2.17 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 0.00 2.29 2.27 0.00 47 A 8.91 4.24 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 48 D 8.17 4.45 0.00 2.69 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 49 K 7.98 4.59 0.00 1.50 1.68 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.43 7.81 50 A 7.62 3.89 0.54 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 0.00 0.00 51 Y 7.42 4.75 0.00 2.93 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 52 V 8.39 3.82 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 0.56 0.00 0.00 0.75 0.00 0.00 53 S 8.93 4.73 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.57 5.26 0.00 2.77 2.85 0.00 0.00 6.58 7.66 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 55 E 8.33 3.98 0.00 2.15 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 0.00 2.39 2.37 0.00 56 S 8.76 3.98 0.00 3.99 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 57 A 7.56 2.58 1.17 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 58 I 6.96 3.55 1.78 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 1.47 0.81 0.89 0.00 0.00 59 R 7.56 4.24 0.00 1.83 1.98 0.00 3.18 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 60 F 7.19 5.11 0.00 3.02 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 61 G 8.27 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 62 S 8.44 4.62 0.00 3.86 3.86 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 63 V 7.29 4.43 1.82 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 0.66 0.00 0.00 0.49 0.00 0.00 64 S 8.21 4.50 0.00 4.14 4.31 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 65 C 8.08 4.01 0.00 2.96 2.95 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 66 L 8.42 3.58 0.00 1.78 1.77 0.94 1.00 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 67 Y 7.82 4.34 0.00 2.92 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 68 Y 7.13 4.87 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.89 4.50 0.00 2.79 2.66 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 70 N 8.89 4.48 0.00 3.06 3.25 0.00 0.00 6.99 7.66 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 71 R 7.99 3.95 0.00 1.52 1.70 0.00 3.09 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 72 Y 7.69 4.37 0.00 3.04 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 W 8.64 5.07 0.00 3.07 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 74 T 8.19 4.24 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 0.92 0.00 0.00 75 M 8.52 4.48 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 76 W 9.54 4.79 0.00 3.68 3.30 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 77 K 8.54 3.43 0.00 1.68 0.74 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.83 0.21 7.81 78 L 8.29 4.93 0.00 1.60 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.32 0.00 0.56 1.81 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 80 M 8.79 4.32 0.00 2.05 2.02 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 2.62 2.54 0.00 81 F 7.34 4.48 0.00 3.10 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 82 G 9.14 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 83 C 7.92 4.26 0.00 3.04 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 84 R 8.64 4.55 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 85 D 7.79 4.81 0.00 2.72 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 86 P 0.00 4.34 0.00 2.22 2.13 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.28 4.12 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 88 Q 8.02 3.96 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.76 3.60 2.26 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 1.04 0.00 0.00 0.97 0.00 0.00 90 L 8.02 4.01 0.00 1.91 1.71 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.30 3.97 0.00 2.02 2.01 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 92 E 8.22 4.11 0.00 2.24 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 0.00 2.60 2.67 0.00 93 I 7.88 3.51 1.99 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 1.33 0.93 0.84 0.00 0.00 94 V 7.66 3.47 2.20 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 0.97 0.00 0.00 0.95 0.00 0.00 95 A 8.03 3.94 1.54 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 0.00 0.00 96 C 7.65 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 97 T 7.52 3.71 4.29 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 1.12 0.00 0.00 98 K 7.63 3.82 0.00 1.85 1.91 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.39 7.81 99 A 7.56 3.99 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 0.00 100 F 7.79 4.71 0.00 2.80 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 0.00 101 P 0.00 4.38 0.00 2.12 2.11 0.00 3.30 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.05 4.62 0.00 2.69 2.70 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 0.00 0.00 0.00 0.00 103 A 7.33 4.71 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 0.00 104 Y 8.65 4.21 0.00 2.51 2.70 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 0.00 0.00 0.00 0.00 105 V 8.97 5.28 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 1.03 0.00 0.00 0.87 0.00 0.00 106 R 9.47 5.00 0.00 1.84 1.92 0.00 2.35 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 107 L 8.08 4.86 0.00 1.52 0.80 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.66 4.78 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 0.47 0.00 0.00 0.48 0.00 0.00 109 A 8.10 4.90 1.21 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 0.00 110 F 9.05 5.21 0.00 2.99 2.91 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 0.00 111 D 8.86 5.37 0.00 2.37 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.16 4.72 0.00 2.94 3.05 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.41 4.17 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.14 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 114 K 8.59 4.03 0.00 1.75 1.87 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.41 7.81 115 Q 8.05 3.43 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.81 4.50 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 0.50 0.00 0.00 0.91 0.00 0.00 117 Q 8.78 4.30 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 118 I 8.17 4.20 1.23 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.38 -0.48 0.00 0.00 119 M 6.69 4.59 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.80 0.00 120 G 8.25 4.90 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 0.00 0.00 0.00 121 F 7.15 5.02 0.00 3.21 3.26 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 0.00 122 L 8.85 4.47 0.00 1.57 1.60 0.69 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.86 4.45 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 0.64 0.00 0.00 0.88 0.00 0.00 124 Q 7.79 4.56 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 125 R 8.10 4.26 0.00 1.06 1.42 0.00 2.21 0.00 0.00 2.67 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.20 0.00 126 P 0.00 4.14 0.00 2.10 2.19 0.00 2.20 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 1.65 1.57 0.00 127 K 8.44 4.19 0.00 1.90 1.99 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 S 7.94 4.28 0.00 4.04 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 0.00 129 A 7.84 4.33 1.55 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 0.00 130 R 8.73 4.71 0.00 1.86 1.96 0.00 3.24 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 131 D 8.64 5.11 0.00 2.99 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 0.00 132 W 7.73 5.58 0.00 3.66 3.20 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 0.00 133 Q 8.41 4.34 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00 134 P 0.00 4.46 0.00 2.31 2.07 0.00 3.42 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 135 A 8.94 3.98 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 0.00 136 N 8.06 4.67 0.00 2.83 2.94 0.00 0.00 5.84 7.13 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 0.00 137 K 7.72 4.43 0.00 1.57 1.68 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 138 R 7.54 3.58 0.00 1.54 0.66 0.00 3.11 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.58 0.00 139 S 7.44 5.03 0.00 4.02 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 0.00 140 V 8.51 3.99 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 0.60 0.00 0.00 0.94 0.00 0.00