NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3837 8.3349 115.4125 58.4206 64.2498 173.5565 2 S 4.1890 8.2329 117.3634 55.7084 64.9443 171.5253 3 N 5.0565 9.0774 123.4653 50.4845 41.3008 173.4230 4 L 4.1897 8.3941 118.0620 55.3966 42.3135 176.9452 5 T 4.6228 7.9799 110.2417 59.8572 72.4571 175.1434 6 E 3.9928 8.5595 120.1147 59.6462 29.4629 179.5263 7 E 3.9225 8.0740 117.9491 59.5197 29.6733 179.3417 8 Q 3.6285 7.5835 117.1615 59.0126 28.8440 178.9289 9 I 4.0818 8.4791 120.7856 64.1230 37.1048 178.4465 10 A 4.0480 8.2334 122.4327 54.9252 18.3244 179.3001 11 E 3.8236 7.7668 117.3450 59.5363 29.7505 179.0897 12 F 4.8574 7.3647 117.3602 60.6296 38.9255 177.5543 13 K 4.0069 8.5734 119.4313 59.4884 32.0901 178.7780 14 E 3.9870 8.2496 118.1724 59.5278 29.5031 179.2755 15 A 4.2453 8.1600 120.4235 54.9599 18.4576 179.5588 16 F 3.7413 9.0665 119.5485 61.3735 39.3205 177.4214 17 A 4.2032 8.4807 119.5542 54.7680 18.1571 179.3104 18 L 4.0536 7.7125 116.8225 58.1568 41.8388 179.2879 19 F 4.3387 7.9106 114.5268 58.5938 39.2187 175.1894 20 D 4.4199 8.0902 117.4025 54.6286 40.5349 176.5402 21 K 4.8105 8.3213 129.7366 55.9110 33.9748 175.7323 22 D 4.7140 8.0151 115.1724 54.1650 41.9183 176.6608 23 N 4.5471 8.9806 117.6167 53.4074 40.4750 173.5639 24 N 4.9566 7.8621 113.4670 51.1447 45.7800 174.1755 25 G 4.3393 6.9809 117.8509 45.9676 0.0000 171.7677 26 S 5.5440 8.7612 114.5432 56.9163 67.7441 175.5937 27 I 4.6253 8.6489 116.1709 58.9207 41.1053 174.8671 28 S 4.6271 8.4260 117.7351 57.9235 63.7002 175.1809 29 S 4.1939 8.7466 119.4434 61.6684 62.2959 177.0956 30 S 4.1760 8.0925 116.7793 60.9977 62.8648 175.4158 31 E 4.3257 7.9516 119.8818 56.7829 29.7495 177.9750 32 L 3.7727 7.4727 120.6603 58.1889 42.2615 178.6512 33 A 3.9754 7.9253 120.0046 55.5961 18.3754 179.6186 34 T 3.8404 7.6708 113.6831 66.7007 68.7513 177.0322 35 V 3.1739 7.7080 120.5404 66.0134 31.3971 178.0518 36 M 4.2054 8.0270 118.6306 58.3107 31.3827 178.9150 37 R 4.2915 7.7484 119.1647 58.7352 29.9697 179.1313 38 S 4.1422 7.9201 114.0368 61.1167 63.0259 176.2979 39 L 4.3617 7.6792 120.7715 56.1754 41.5385 176.5707 40 G 3.9184 6.8112 108.0924 46.1088 0.0000 173.0524 41 L 4.8767 7.8793 119.8333 53.0126 45.7670 176.7948 42 S 4.9478 7.8273 107.5777 57.5468 63.5254 173.8681 43 P 4.3719 0.0000 0.0000 62.9178 32.6123 177.9241 44 S 4.3545 8.4150 117.5172 58.1606 65.0335 175.0218 45 E 3.9653 8.7558 122.4035 59.3975 29.2689 178.7437 46 A 4.0223 7.8939 120.6167 55.0947 18.5819 179.2865 47 E 3.9376 8.0607 116.7318 59.4332 29.5364 179.5503 48 V 3.5920 7.8047 118.4694 65.8182 31.5028 177.6739 49 N 4.2664 8.0726 116.5732 56.6129 38.8568 176.3871 50 D 4.2797 7.9513 119.0544 57.3454 41.4121 178.2721 51 L 3.9588 7.9252 119.4417 58.1700 41.6262 179.4950 52 M 4.1254 8.3905 118.8439 58.1365 31.5525 178.6943 53 N 4.2928 8.0068 116.4295 56.2992 38.8249 176.7042 54 E 4.0471 7.7581 119.0127 59.1431 29.7301 178.7552 55 I 3.9122 7.3105 118.6130 63.2101 37.8444 176.1630 56 D 4.3832 8.4996 125.6271 54.7269 40.5481 176.5219 57 V 3.8536 8.4307 126.7410 64.3711 32.2047 176.5411 58 D 4.8828 8.2458 117.3216 53.8051 41.7074 174.8700 59 G 4.6715 9.1178 107.4837 44.4088 0.0000 174.3443 60 N 5.1260 7.2291 114.1661 51.1367 40.1811 173.2139 61 H 4.3679 8.3742 115.6274 55.5437 32.7985 172.8154 62 Q 4.6314 8.6522 126.4385 54.9696 29.8932 175.3707 63 I 4.2361 9.0942 126.5262 61.1972 38.3609 175.6720 64 E 5.1047 8.9405 126.3792 55.1690 31.3803 177.1604 65 F 3.7209 8.2672 122.8911 61.1402 39.1608 177.9378 66 S 3.9563 7.9852 113.5844 61.6772 63.2382 176.2717 67 E 4.0111 8.1667 122.5741 58.3492 29.1696 179.0952 68 F 4.0313 8.6846 121.3451 61.3192 39.4889 177.2164 69 L 3.4866 7.7315 118.3815 57.4107 41.3348 179.4711 70 A 3.8354 7.6270 120.1734 55.2213 18.2824 179.7459 71 L 3.8313 7.5781 117.4185 58.0958 41.5062 179.7629 72 M 3.7061 7.6119 119.0583 57.9683 31.4702 178.8705 73 S 3.8991 7.7655 113.9393 61.5319 63.1413 176.5673 74 R 4.0006 7.4723 120.2892 59.0288 29.8658 178.6599 75 Q 4.1306 7.6421 116.5984 57.6422 29.5176 177.2019 76 L 4.5528 8.2661 121.2238 53.3050 41.7822 176.9270 77 K 4.2363 7.3378 119.3118 56.6974 33.6574 176.5617 78 S 4.6694 8.1093 114.7750 56.3627 63.2254 175.6060 79 N 4.6989 7.7314 117.4717 53.6455 42.2116 173.0226 80 D 4.3578 8.2094 120.9668 52.8416 42.6767 175.9678 81 S 4.1462 8.4711 123.8825 61.2622 63.1765 175.8585 82 E 3.9286 8.0913 121.4252 59.6285 29.5739 178.6475 83 Q 4.0732 8.2762 117.4456 59.0996 28.8420 178.7507 84 E 4.0157 8.1258 119.1384 59.3264 29.4562 179.4315 85 L 3.9827 7.8994 118.6276 57.8817 41.8769 179.5800 86 L 4.2638 7.9994 118.6130 57.7213 41.5987 179.5539 87 E 4.0002 8.4120 118.5083 59.2601 29.4637 179.1297 88 A 4.0126 7.8556 120.5098 55.3880 18.5704 179.7844 89 F 4.2225 8.0045 116.1420 60.3919 38.6421 177.9351 90 K 4.0793 7.8773 118.6814 59.3966 32.0995 178.7393 91 V 3.7839 7.6455 117.2415 66.2108 31.5821 177.8542 92 F 4.2270 8.3470 115.8198 59.1074 39.1248 175.4524 93 D 4.6745 8.0087 117.9276 53.0391 40.6135 176.6992 94 K 4.0210 8.4496 126.9796 59.0556 32.3301 178.5355 95 N 4.3430 7.3057 113.6168 56.0194 38.7270 174.7295 96 G 3.5055 8.1373 112.1141 46.0154 0.0000 174.6113 97 D 4.3244 7.8940 120.1883 58.5808 41.9012 175.9232 98 G 3.2461 7.5679 106.7955 45.7244 0.0000 172.7438 99 L 5.3893 8.6182 120.1331 52.6273 44.3398 177.4431 100 I 4.7559 8.3246 115.5971 59.4644 41.7415 174.6192 101 S 4.6805 8.7882 118.5016 57.8559 64.0648 175.1985 102 A 3.8827 8.0941 120.4730 55.3544 17.9494 180.3134 103 A 3.9378 7.8929 118.6625 55.6185 18.6508 179.6463 104 E 4.1211 8.1900 116.5190 59.3335 29.6171 179.2849 105 L 4.0108 8.0464 120.7100 57.9309 42.2073 178.9347 106 K 3.9972 8.1862 119.7219 59.6880 32.0585 178.3586 107 H 4.1030 8.2440 118.5862 59.1811 29.7943 177.4607 108 V 3.0113 7.5737 120.1208 65.7369 31.0754 178.0660 109 L 4.0145 7.8003 118.5899 57.9070 41.4741 179.6503 110 T 3.9313 7.7254 115.3751 66.4717 68.2293 177.1804 111 S 4.0805 7.9025 116.2939 61.7469 62.9673 176.6364 112 I 3.8169 7.3694 121.2351 62.3314 36.7449 176.9530 113 G 3.8476 7.6537 106.4245 45.8169 0.0000 173.2491 114 E 4.0545 7.5789 119.3585 55.7956 30.3973 178.4422 115 K 4.2352 8.0999 126.3630 55.7300 30.4759 177.5816 116 L 4.6040 7.2649 118.0566 52.1938 43.8943 178.1433 117 T 4.1859 8.0466 116.4620 61.6899 70.7933 173.7832 118 D 4.3735 8.6828 118.6480 57.5753 40.8379 178.3887 119 A 4.0129 7.5740 121.2730 55.0891 18.3953 179.4823 120 E 3.8411 8.0845 116.5025 59.7617 29.6368 179.6793 121 V 3.6843 7.5374 117.8275 65.8127 31.5342 177.6638 122 D 4.2976 8.1504 118.0508 57.4624 41.2549 177.7586 123 D 4.3501 8.1126 118.5888 57.4261 41.1813 177.7649 124 M 4.0455 8.2136 118.8344 58.2245 32.1884 178.2221 125 L 4.2818 8.3620 119.7428 57.5833 41.5354 179.3285 126 R 3.9237 7.6971 117.7437 59.3441 30.1141 177.8372 127 E 4.1106 7.6845 117.2454 58.2685 29.6895 178.2593 128 V 3.9616 7.5084 117.6026 64.2194 32.3634 176.3913 129 S 4.2237 8.1156 114.0923 59.2222 63.1783 174.0392 130 D 4.6598 9.9763 124.0024 55.0825 42.8460 174.9562 131 G 3.0507 7.1635 106.8477 45.5647 0.0000 172.0631 132 S 4.4435 8.3130 113.5781 57.3916 65.2130 174.9807 133 G 4.8056 7.4784 117.2163 46.6499 0.0000 171.3710 134 E 4.8778 7.6161 119.6875 54.5380 31.0665 175.7935 135 I 4.4111 8.4628 125.1551 59.8806 39.8955 174.4062 136 N 5.2284 8.3842 121.8935 52.4667 39.7288 176.5702 137 I 3.3661 8.4487 117.2982 62.9323 37.8010 178.3691 138 Q 3.9557 7.8646 121.7078 59.5004 28.9732 178.1093 139 Q 3.9827 7.9286 118.4535 58.8702 28.9455 178.3263 140 F 3.6810 7.9364 120.2054 61.0704 39.4032 177.0223 141 A 4.0990 8.6124 120.9472 55.1326 18.2141 179.5279 142 A 4.0313 7.7880 120.1608 54.7130 18.2368 179.8265 143 L 3.8892 7.6119 116.6344 57.8628 41.6684 179.3957 144 L 4.1903 7.6702 117.9214 57.3617 41.6201 177.6328 145 S 4.4863 8.1454 113.0417 58.9113 63.7703 174.4829 146 K 4.1437 8.1508 127.3939 55.6092 31.9495 176.8997 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 S 8.33 4.38 0.00 3.99 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 2 S 8.23 4.19 0.00 3.90 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 3 N 9.08 5.06 0.00 2.76 2.77 0.00 0.00 6.32 7.80 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 4 L 8.39 4.19 0.00 1.70 1.78 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.98 4.62 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 1.22 0.00 0.00 6 E 8.56 3.99 0.00 2.00 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 2.42 2.37 0.00 7 E 8.07 3.92 0.00 1.95 1.96 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 2.39 2.33 0.00 8 Q 7.58 3.63 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 9 I 8.48 4.08 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.95 1.15 0.00 0.00 10 A 8.23 4.05 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 11 E 7.77 3.82 0.00 1.87 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 2.18 2.37 0.00 12 F 7.36 4.86 0.00 3.47 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.01 0.00 2.27 1.89 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.13 0.61 7.81 14 E 8.25 3.99 0.00 2.33 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 2.36 2.60 0.00 15 A 8.16 4.25 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 16 F 9.07 3.74 0.00 3.25 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 17 A 8.48 4.20 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 18 L 7.71 4.05 0.00 2.03 1.65 1.04 0.62 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 19 F 7.91 4.34 0.00 2.84 3.22 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 20 D 8.09 4.42 0.00 2.88 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 21 K 8.32 4.81 0.00 1.73 1.71 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.30 7.81 22 D 8.02 4.71 0.00 2.63 2.38 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 23 N 8.98 4.55 0.00 2.60 2.72 0.00 0.00 6.68 7.79 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 24 N 7.86 4.96 0.00 2.72 2.68 0.00 0.00 7.08 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 25 G 6.98 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 0.00 0.00 0.00 0.00 26 S 8.76 5.54 0.00 3.76 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 27 I 8.65 4.63 1.57 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.75 0.20 0.00 0.00 28 S 8.43 4.63 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 29 S 8.75 4.19 0.00 3.90 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 30 S 8.09 4.18 0.00 3.84 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 31 E 7.95 4.33 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 32 L 7.47 3.77 0.00 1.77 1.80 1.16 0.95 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 33 A 7.93 3.98 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 34 T 7.67 3.84 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 1.44 0.00 0.00 35 V 7.71 3.17 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 0.86 0.00 0.00 -0.26 0.00 0.00 36 M 8.03 4.21 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 37 R 7.75 4.29 0.00 2.07 2.01 0.00 3.13 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 38 S 7.92 4.14 0.00 4.14 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 39 L 7.68 4.36 0.00 2.02 1.96 1.37 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.81 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 41 L 7.88 4.88 0.00 1.78 1.57 0.95 0.59 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 42 S 7.83 4.95 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.37 0.00 2.18 2.07 0.00 3.77 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 1.97 1.96 0.00 44 S 8.41 4.35 0.00 3.88 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 45 E 8.76 3.97 0.00 2.03 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 2.37 2.38 0.00 46 A 7.89 4.02 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 47 E 8.06 3.94 0.00 2.23 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 2.38 2.35 0.00 48 V 7.80 3.59 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 1.15 0.00 0.00 1.03 0.00 0.00 49 N 8.07 4.27 0.00 3.03 2.91 0.00 0.00 6.82 7.77 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 50 D 7.95 4.28 0.00 2.85 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 51 L 7.93 3.96 0.00 1.92 1.65 0.96 0.74 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 52 M 8.39 4.13 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 53 N 8.01 4.29 0.00 2.95 2.86 0.00 0.00 6.95 7.32 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 54 E 7.76 4.05 0.00 1.92 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 2.28 2.37 0.00 55 I 7.31 3.91 1.91 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 1.32 0.58 0.75 0.00 0.00 56 D 8.50 4.38 0.00 2.83 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 3.85 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 0.85 0.00 0.00 1.06 0.00 0.00 58 D 8.25 4.88 0.00 2.64 2.58 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 59 G 9.12 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.23 5.13 0.00 2.80 2.77 0.00 0.00 5.79 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 61 H 8.37 4.37 0.00 3.11 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.65 4.63 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 63 I 9.09 4.24 2.06 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 1.29 0.75 1.21 0.00 0.00 64 E 8.94 5.10 0.00 2.02 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 2.43 2.41 0.00 65 F 8.27 3.72 0.00 2.56 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 66 S 7.99 3.96 0.00 4.09 4.11 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 0.00 0.00 0.00 67 E 8.17 4.01 0.00 2.15 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 0.00 2.43 2.43 0.00 68 F 8.68 4.03 0.00 3.53 3.34 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 69 L 7.73 3.49 0.00 1.67 1.48 0.20 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.63 3.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.58 3.83 0.00 1.55 1.53 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.61 3.71 0.00 0.97 1.41 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.46 0.00 73 S 7.77 3.90 0.00 3.95 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 74 R 7.47 4.00 0.00 1.89 1.97 0.00 3.24 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 75 Q 7.64 4.13 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.67 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 76 L 8.27 4.55 0.00 1.72 1.74 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.34 4.24 0.00 1.87 1.69 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.41 7.81 78 S 8.11 4.67 0.00 3.97 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 79 N 7.73 4.70 0.00 2.64 2.69 0.00 0.00 7.04 8.48 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 80 D 8.21 4.36 0.00 2.66 2.49 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 81 S 8.47 4.15 0.00 3.91 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 82 E 8.09 3.93 0.00 2.04 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 2.40 2.43 0.00 83 Q 8.28 4.07 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 84 E 8.13 4.02 0.00 2.25 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 2.33 2.50 0.00 85 L 7.90 3.98 0.00 1.97 1.91 1.02 0.57 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 86 L 8.00 4.26 0.00 1.94 1.79 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.41 4.00 0.00 2.31 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 2.36 2.55 0.00 88 A 7.86 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.00 4.22 0.00 3.29 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 90 K 7.88 4.08 0.00 2.16 1.94 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 91 V 7.65 3.78 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 0.80 0.00 0.00 1.07 0.00 0.00 92 F 8.35 4.23 0.00 3.19 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 93 D 8.01 4.67 0.00 3.00 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 94 K 8.45 4.02 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.37 7.81 95 N 7.31 4.34 0.00 2.93 2.85 0.00 0.00 7.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.14 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.32 0.00 2.64 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 98 G 7.57 3.25 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 0.00 99 L 8.62 5.39 0.00 1.46 1.56 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.32 4.76 1.95 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 1.17 0.63 1.03 0.00 0.00 101 S 8.79 4.68 0.00 3.82 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 0.00 102 A 8.09 3.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.89 3.94 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 0.00 104 E 8.19 4.12 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 105 L 8.05 4.01 0.00 1.57 1.68 0.54 -1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.19 4.00 0.00 1.97 1.95 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 107 H 8.24 4.10 0.00 3.41 3.52 0.00 5.84 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 0.00 108 V 7.57 3.01 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 -0.40 0.00 0.00 -0.47 0.00 0.00 109 L 7.80 4.01 0.00 2.10 1.75 1.29 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.73 3.93 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 1.17 0.00 0.00 111 S 7.90 4.08 0.00 3.85 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 0.00 112 I 7.37 3.82 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.36 0.87 0.00 0.00 113 G 7.65 3.85 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 0.00 0.00 0.00 114 E 7.58 4.05 0.00 2.11 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 2.35 2.42 0.00 115 K 8.10 4.24 0.00 1.65 1.74 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 116 L 7.26 4.60 0.00 1.64 1.58 0.92 0.97 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 0.00 117 T 8.05 4.19 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 118 D 8.68 4.37 0.00 2.80 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 0.00 119 A 7.57 4.01 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 0.00 120 E 8.08 3.84 0.00 2.15 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 2.40 2.31 0.00 121 V 7.54 3.68 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 1.25 0.00 0.00 1.09 0.00 0.00 122 D 8.15 4.30 0.00 2.99 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.11 4.35 0.00 2.76 2.62 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 0.00 124 M 8.21 4.05 0.00 1.93 2.07 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 2.36 2.00 0.00 125 L 8.36 4.28 0.00 2.09 1.78 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.70 3.92 0.00 1.98 1.96 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 127 E 7.68 4.11 0.00 2.11 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 2.30 2.30 0.00 128 V 7.51 3.96 2.40 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 1.27 0.00 0.00 0.86 0.00 0.00 129 S 8.12 4.22 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 9.98 4.66 0.00 2.63 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 0.00 131 G 7.16 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 0.00 0.00 0.00 132 S 8.31 4.44 0.00 3.78 3.73 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 0.00 133 G 7.48 4.81 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 0.00 134 E 7.62 4.88 0.00 1.84 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 2.23 2.31 0.00 135 I 8.46 4.41 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.70 0.00 0.00 136 N 8.38 5.23 0.00 2.70 2.68 0.00 0.00 6.65 7.31 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 0.00 137 I 8.45 3.37 1.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.80 0.00 0.00 138 Q 7.86 3.96 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 139 Q 7.93 3.98 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 140 F 7.94 3.68 0.00 3.13 2.78 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 0.00 141 A 8.61 4.10 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 0.00 142 A 7.79 4.03 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 0.00 143 L 7.61 3.89 0.00 1.62 1.48 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.67 4.19 0.00 1.83 1.91 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.15 4.49 0.00 4.07 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 0.00 146 K 8.15 4.14 0.00 1.77 1.74 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.65 7.81