NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2995 8.3044 118.1951 54.9783 32.2868 178.6106 2 K 3.8597 9.0224 124.5386 55.3528 30.9892 173.2409 3 R 3.9101 9.1453 127.3503 56.0166 30.5035 174.8817 4 N 4.5252 8.7588 117.4887 53.3535 39.3420 172.3039 5 P 4.4143 0.0000 0.0000 62.8662 30.9772 175.2531 6 R 4.4269 7.9925 118.5440 55.2810 31.9973 174.0889 7 V 3.9738 8.0402 118.0603 63.0438 31.9128 174.2216 8 T 3.8096 8.2648 120.5452 60.6551 68.9879 168.8009 9 S 4.2414 10.0536 118.5413 57.0476 63.4122 173.3533 10 S 4.8741 9.0634 126.6366 57.3107 62.9542 175.0398 11 R 4.0928 8.2325 129.6892 59.1851 30.6474 179.8656 12 R 3.9066 8.0987 116.8119 59.0794 30.3719 178.6851 13 K 3.9926 7.9054 118.8262 59.7633 32.3941 178.5314 14 C 4.3558 8.5690 117.5349 62.7909 28.0170 176.1267 15 R 3.9870 7.6200 119.5377 59.1446 29.8320 178.5133 16 K 4.1138 8.1378 119.1413 59.4937 32.2483 178.7531 17 A 4.0885 8.4563 121.4809 55.3070 18.0817 179.0154 18 H 4.4328 8.0710 113.2007 57.8126 29.1175 177.5075 19 F 4.6183 7.8798 120.9223 61.1772 39.4251 175.8088 20 T 3.8041 7.3665 108.5703 62.6913 67.7449 175.4878 21 A 3.6477 8.1219 118.2843 52.6033 15.7515 174.2154 22 P 4.2967 0.0000 0.0000 63.6054 32.2014 177.3815 23 S 4.1531 8.7533 116.1293 62.0663 62.8440 177.0502 24 S 4.0173 8.0229 114.9152 61.5718 62.1345 176.0223 25 V 3.5533 7.8239 119.1218 66.5368 31.5531 177.7211 26 R 4.2407 8.2993 117.6692 59.1906 29.7817 178.9712 27 R 3.3978 7.9738 118.6609 59.1959 29.9052 178.7431 28 V 3.4564 7.7181 118.0264 65.7314 31.2847 177.4997 29 L 4.1374 7.2578 116.4778 56.1934 41.9028 177.0861 30 M 3.6864 6.5748 118.5395 54.8316 32.2539 174.5443 31 S 4.8390 7.3678 113.4299 58.1749 63.1580 173.1406 32 A 4.9035 8.8516 128.5247 49.5316 22.4625 175.0909 33 A 4.4272 8.5455 122.8785 52.0958 19.5429 177.4246 34 L 4.5768 8.5294 122.4016 54.4918 42.9096 177.2685 35 S 4.4295 8.4661 115.5072 58.2235 64.1988 175.3751 36 T 3.9788 8.5149 115.0274 65.2411 67.2906 176.1040 37 E 4.1173 8.1010 120.2343 59.4124 29.6224 179.1230 38 L 3.9788 7.8935 118.5707 57.6931 41.3279 179.2618 39 R 4.2113 8.1742 120.0579 58.2848 29.7232 177.1703 40 H 4.7994 7.4769 112.9767 55.4508 29.4946 176.0835 41 K 3.9867 7.4948 120.3384 58.5155 32.6379 177.5296 42 Y 4.5919 6.9395 112.6798 56.4252 39.6892 175.2216 43 N 4.2388 7.9314 115.7981 52.4854 36.0975 173.3492 44 V 4.5386 6.8590 109.8659 60.3709 36.5071 175.9984 45 R 4.2999 8.4171 119.5249 57.8621 31.3274 176.1407 46 S 5.0849 7.7485 111.2780 57.2908 65.3214 173.5677 47 I 4.8406 8.7270 118.1227 58.2655 41.2567 172.4691 48 P 4.6913 0.0000 0.0000 63.3622 31.7125 176.3880 49 I 4.5185 7.5324 117.1305 61.8986 40.3266 173.5553 50 R 4.4120 7.8999 118.1633 57.5026 33.4972 174.2662 51 K 4.7347 8.7643 111.8888 56.6817 35.9655 177.1107 52 D 4.9672 8.0132 116.4816 54.3608 41.8577 176.2423 53 D 4.8430 7.8555 120.3209 54.0150 43.5076 174.3398 54 E 5.0912 8.8680 118.9007 55.2186 33.5541 174.7002 55 V 5.0144 9.1493 125.2946 60.1875 35.3549 173.4958 56 Q 5.0202 9.0794 122.5337 54.3980 31.2612 174.7870 57 V 3.9649 9.0915 123.9314 63.2665 32.0534 176.1396 58 V 3.7757 8.3694 128.0660 65.7112 31.6265 177.7151 59 R 4.0455 8.2541 117.6327 59.1337 30.5246 177.1283 60 G 4.0458 7.6855 106.2388 44.5854 0.0000 173.5109 61 S 3.9193 8.4302 112.7096 61.3254 62.6162 176.0182 62 Y 4.2086 7.6643 117.1316 59.6658 37.9572 175.3035 63 K 4.0644 7.7112 120.5055 57.6675 32.4808 176.0420 64 G 4.0773 9.1625 115.3180 45.1956 0.0000 173.9238 65 R 4.4535 8.1080 118.9557 55.9584 31.6106 175.5481 66 E 5.1739 8.3412 119.9705 54.9846 33.7234 174.8428 67 G 4.0362 8.6392 108.7028 45.7812 0.0000 172.4420 68 K 4.9201 8.0621 118.8161 54.9219 33.8449 176.8372 69 V 4.1907 8.2459 123.9884 62.9336 31.5265 176.1625 70 V 3.8409 9.0708 129.2715 64.4198 31.8347 176.0815 71 Q 4.5773 7.5414 119.8302 54.8684 32.3366 172.3738 72 V 4.7165 8.1871 121.9207 61.2001 35.0805 173.5794 73 Y 3.9825 8.4136 128.7899 55.5311 40.2282 176.1258 74 R 2.5100 8.3993 127.3202 59.1617 30.5917 177.6093 75 R 3.8746 8.2585 116.0890 58.7312 30.1743 176.2287 76 R 4.2867 7.3544 120.7613 53.6122 30.5325 174.7976 77 W 3.6445 8.5506 135.0000 57.2009 30.2485 174.8746 78 V 4.8336 7.1665 124.7159 61.3917 35.1879 173.0700 79 I 4.9565 8.6059 116.5419 59.4178 41.5009 173.5866 80 H 5.2725 9.7016 121.6069 54.1290 31.4665 173.5613 81 V 4.7812 8.0981 121.7629 60.5781 34.6644 174.4517 82 E 4.1642 8.8301 127.6580 57.5461 29.9143 177.4992 83 R 3.8380 8.6371 122.6793 56.4856 28.1261 176.3129 84 I 3.9149 7.4487 120.0228 59.3338 37.0684 173.9801 85 T 5.0225 7.5926 115.7957 59.6622 72.4783 172.7385 86 R 4.8507 8.5524 120.9743 54.6935 34.1230 173.4276 87 E 5.0290 8.6372 121.9800 54.5715 31.5206 176.2759 88 K 4.3290 9.2937 125.9552 55.1704 33.4148 178.0096 89 V 3.6823 8.3476 121.0832 64.5944 31.2504 177.4032 90 N 4.3435 8.1037 116.9599 54.8688 37.1901 175.3985 91 G 4.0043 7.9492 104.9318 45.3366 0.0000 174.2230 92 S 4.2234 8.9418 115.5692 58.4578 63.0113 172.4193 93 T 4.7658 8.2340 119.1056 60.0961 69.5076 173.4610 94 V 4.6285 8.0966 127.7590 60.7047 34.8973 174.5099 95 N 4.8605 8.6851 123.7118 52.9265 38.4416 174.1214 96 V 4.2119 8.0503 121.2497 61.2142 32.6354 175.9761 97 G 3.8855 8.7865 115.4919 46.3389 0.0000 172.3669 98 I 4.8493 8.4121 122.1590 59.0269 41.8033 174.2265 99 H 4.8812 8.7806 127.0945 55.0145 30.8392 174.5692 100 P 4.3917 0.0000 0.0000 65.2281 31.5483 178.7811 101 S 4.1877 8.3996 112.2350 61.0515 62.8167 175.3625 102 K 4.1560 8.2158 120.0208 58.1176 32.0150 177.1126 103 V 4.8558 7.5188 117.2028 59.7193 33.8453 174.9619 104 V 5.0637 8.3660 119.6109 60.0072 35.2093 174.3410 105 V 4.3445 8.3262 127.3060 62.8339 32.0531 176.4392 106 T 4.1396 8.4563 125.0848 65.2604 69.2315 175.3117 107 K 4.7454 7.8941 120.4862 54.7085 36.0121 174.9039 108 L 5.2622 8.4978 124.5581 52.7606 45.1577 175.7800 109 K 4.2535 9.5882 124.5326 55.2173 31.5157 176.6368 110 L 3.9296 8.7074 128.5279 56.1836 42.3301 177.8694 111 D 4.4795 7.9296 116.8987 54.4368 39.7757 172.1845 112 K 4.4191 8.3646 114.3536 58.8060 35.0449 178.3243 113 D 4.2577 8.1483 117.9966 57.5017 41.0123 178.6899 114 R 3.8521 7.9232 118.6521 59.1069 30.0553 178.0713 115 K 3.7882 7.5742 119.8548 59.5533 32.0729 178.5988 116 A 4.1524 7.9217 120.8787 55.0796 18.1585 179.7632 117 I 3.6587 7.4197 118.2702 64.3772 37.1846 178.5795 118 L 3.9389 7.6733 119.5451 57.9752 41.0382 179.1820 119 D 4.4184 8.4531 119.1643 57.4890 40.7574 178.9996 120 R 3.9557 8.1658 119.2034 59.4151 30.1020 178.8130 121 K 4.0049 8.3932 118.2904 59.2101 31.6047 179.0787 122 A 4.0963 8.0232 121.1719 55.3029 18.0453 179.6787 123 S 4.1388 7.6422 109.3550 61.3305 62.4599 176.0353 124 G 3.9217 7.9527 108.4742 48.1655 0.0000 175.4058 125 R 4.7147 8.4487 121.7210 57.2882 29.8225 178.2195 126 A 3.9975 7.7521 120.3177 55.3352 18.1346 179.3985 127 A 3.9757 7.5319 117.4565 55.0097 18.8324 179.2403 128 D 4.4354 8.0261 117.3597 56.6958 39.2939 178.7138 129 K 3.9838 7.6690 119.4722 58.0105 32.2877 176.3081 130 A 4.2932 7.6218 125.4339 52.1975 19.2012 175.3225 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 4.30 0.00 2.14 1.34 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 2 K 9.02 3.86 0.00 1.82 1.80 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.52 7.81 3 R 9.15 3.91 0.00 2.01 1.95 0.00 3.27 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 4 N 8.76 4.53 0.00 2.80 3.03 0.00 0.00 7.04 7.69 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 5 P 0.00 4.41 0.00 2.22 2.08 0.00 3.85 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 1.98 1.95 0.00 6 R 7.99 4.43 0.00 1.90 2.08 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 7 V 8.04 3.97 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 0.80 0.00 0.00 0.93 0.00 0.00 8 T 8.26 3.81 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 1.24 0.00 0.00 9 S 10.05 4.24 0.00 3.82 3.53 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 10 S 9.06 4.87 0.00 4.01 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 11 R 8.23 4.09 0.00 1.92 1.98 0.00 3.17 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 12 R 8.10 3.91 0.00 1.87 1.98 0.00 3.14 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 13 K 7.91 3.99 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 14 C 8.57 4.36 0.00 3.13 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 15 R 7.62 3.99 0.00 2.07 1.98 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 16 K 8.14 4.11 0.00 2.03 2.07 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.51 7.81 17 A 8.46 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.07 4.43 0.00 3.21 3.45 0.00 5.86 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.88 4.62 0.00 3.26 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 20 T 7.37 3.80 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 1.24 0.00 0.00 21 A 8.12 3.65 1.60 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 22 P 0.00 4.30 0.00 2.23 2.25 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 23 S 8.75 4.15 0.00 3.92 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 24 S 8.02 4.02 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 25 V 7.82 3.55 2.33 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 0.93 0.00 0.00 0.92 0.00 0.00 26 R 8.30 4.24 0.00 2.26 2.47 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 27 R 7.97 3.40 0.00 1.91 1.97 0.00 3.06 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 28 V 7.72 3.46 2.18 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 0.94 0.00 0.00 0.87 0.00 0.00 29 L 7.26 4.14 0.00 1.85 1.86 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 M 6.57 3.69 0.00 1.42 0.57 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 31 S 7.37 4.84 0.00 3.93 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.85 4.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.55 4.43 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 0.00 0.00 0.00 0.00 0.00 34 L 8.53 4.58 0.00 1.56 1.64 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.47 4.43 0.00 3.94 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 36 T 8.51 3.98 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 1.23 0.00 0.00 37 E 8.10 4.12 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 38 L 7.89 3.98 0.00 1.89 2.02 1.06 0.99 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 39 R 8.17 4.21 0.00 2.01 2.00 0.00 3.07 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.00 40 H 7.48 4.80 0.00 3.06 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.49 3.99 0.00 0.79 0.74 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.30 7.81 42 Y 6.94 4.59 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.93 4.24 0.00 2.84 2.83 0.00 0.00 7.07 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 44 V 6.86 4.54 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 0.84 0.00 0.00 0.98 0.00 0.00 45 R 8.42 4.30 0.00 1.75 1.95 0.00 3.16 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 46 S 7.75 5.08 0.00 3.83 3.66 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 47 I 8.73 4.84 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.91 0.00 0.00 48 P 0.00 4.69 0.00 2.00 1.94 0.00 3.69 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 1.92 1.88 0.00 49 I 7.53 4.52 1.89 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 1.42 0.72 0.97 0.00 0.00 50 R 7.90 4.41 0.00 1.70 2.01 0.00 3.27 0.00 0.00 3.14 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 51 K 8.76 4.73 0.00 1.70 1.73 0.00 1.77 0.00 0.00 1.98 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.46 7.81 52 D 8.01 4.97 0.00 2.56 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 53 D 7.86 4.84 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 54 E 8.87 5.09 0.00 2.02 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 2.21 2.26 0.00 55 V 9.15 5.01 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 0.72 0.00 0.00 0.97 0.00 0.00 56 Q 9.08 5.02 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 57 V 9.09 3.96 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 0.98 0.00 0.00 1.05 0.00 0.00 58 V 8.37 3.78 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 59 R 8.25 4.05 0.00 1.86 2.00 0.00 3.32 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 60 G 7.69 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 0.00 0.00 0.00 61 S 8.43 3.92 0.00 3.60 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 62 Y 7.66 4.21 0.00 3.24 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 63 K 7.71 4.06 0.00 1.87 1.81 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 64 G 9.16 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 0.00 0.00 0.00 65 R 8.11 4.45 0.00 1.86 1.91 0.00 3.35 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 66 E 8.34 5.17 0.00 1.80 1.81 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 2.22 2.31 0.00 67 G 8.64 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 68 K 8.06 4.92 0.00 1.73 1.73 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.80 1.28 7.81 69 V 8.25 4.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 70 V 9.07 3.84 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 0.73 0.00 0.00 0.92 0.00 0.00 71 Q 7.54 4.58 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 72 V 8.19 4.72 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 0.96 0.00 0.00 1.01 0.00 0.00 73 Y 8.41 3.98 0.00 2.80 2.67 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 74 R 8.40 2.51 0.00 1.78 1.82 0.00 3.39 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 75 R 8.26 3.87 0.00 1.82 1.75 0.00 3.17 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 76 R 7.35 4.29 0.00 1.66 1.68 0.00 3.42 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 77 W 8.55 3.64 0.00 3.51 3.17 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 78 V 7.17 4.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 79 I 8.61 4.96 1.89 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 1.42 0.68 1.05 0.00 0.00 80 H 9.70 5.27 0.00 2.95 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.10 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 1.04 0.00 0.00 0.94 0.00 0.00 82 E 8.83 4.16 0.00 2.02 1.83 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 2.31 2.27 0.00 83 R 8.64 3.84 0.00 2.01 2.08 0.00 3.24 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 84 I 7.45 3.91 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.21 0.85 0.00 0.00 85 T 7.59 5.02 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 1.15 0.00 0.00 86 R 8.55 4.85 0.00 1.99 1.81 0.00 3.28 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 87 E 8.64 5.03 0.00 1.88 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 2.25 2.35 0.00 88 K 9.29 4.33 0.00 1.84 1.94 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.52 7.81 89 V 8.35 3.68 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 0.80 0.00 0.00 0.93 0.00 0.00 90 N 8.10 4.34 0.00 2.85 3.00 0.00 0.00 6.19 7.00 0.00 0.00 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 G 7.95 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 92 S 8.94 4.22 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 93 T 8.23 4.77 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 1.20 0.00 0.00 94 V 8.10 4.63 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 0.91 0.00 0.00 0.92 0.00 0.00 95 N 8.69 4.86 0.00 2.71 2.72 0.00 0.00 5.94 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 96 V 8.05 4.21 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 0.82 0.00 0.00 0.85 0.00 0.00 97 G 8.79 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 0.00 0.00 0.00 98 I 8.41 4.85 1.90 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 1.18 1.53 1.00 0.00 0.00 99 H 8.78 4.88 0.00 3.32 3.21 0.00 5.92 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.39 0.00 2.18 2.11 0.00 3.28 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 101 S 8.40 4.19 0.00 3.92 3.97 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 0.00 102 K 8.22 4.16 0.00 2.03 1.90 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.44 7.81 103 V 7.52 4.86 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.01 0.00 0.00 104 V 8.37 5.06 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 1.41 0.00 0.00 0.95 0.00 0.00 105 V 8.33 4.34 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 1.03 0.00 0.00 0.94 0.00 0.00 106 T 8.46 4.14 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 1.27 0.00 0.00 107 K 7.89 4.75 0.00 1.79 1.58 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 108 L 8.50 5.26 0.00 1.42 1.43 0.74 0.95 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 0.00 109 K 9.59 4.25 0.00 1.85 1.70 0.00 1.86 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.40 7.81 110 L 8.71 3.93 0.00 1.71 1.62 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.93 4.48 0.00 2.78 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 0.00 112 K 8.36 4.42 0.00 1.74 1.75 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 113 D 8.15 4.26 0.00 2.67 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 0.00 114 R 7.92 3.85 0.00 1.84 1.89 0.00 3.14 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 115 K 7.57 3.79 0.00 2.26 1.86 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.43 7.81 116 A 7.92 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 3.66 2.04 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 1.50 0.42 0.88 0.00 0.00 118 L 7.67 3.94 0.00 1.71 1.53 0.62 0.81 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 0.00 119 D 8.45 4.42 0.00 2.79 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 0.00 120 R 8.17 3.96 0.00 1.87 2.12 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 121 K 8.39 4.00 0.00 1.97 1.86 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.59 7.81 122 A 8.02 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.14 0.00 3.93 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 0.00 124 G 7.95 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 0.00 125 R 8.45 4.71 0.00 2.08 1.93 0.00 3.19 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 126 A 7.75 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.53 3.98 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 0.00 128 D 8.03 4.44 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 0.00 129 K 7.67 3.98 0.00 1.95 1.88 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 130 A 7.62 4.29 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