NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4209 8.3044 120.3220 55.3831 32.8105 176.1166 2 H 4.3540 8.6602 125.7204 55.1490 27.5396 171.9336 3 L 4.7874 8.3435 122.9100 52.6302 45.3167 175.9642 4 T 4.4284 8.0343 118.2103 61.6007 70.1816 174.5835 5 P 4.3391 0.0000 0.0000 65.6860 31.6763 178.9277 6 E 3.9744 8.0389 116.7508 59.0777 28.8408 177.7582 7 E 4.0120 7.7013 119.1224 56.8416 29.2645 179.9409 8 K 4.4915 8.4764 119.3285 59.4288 32.7263 178.5845 9 S 4.0746 7.9923 113.1019 61.0509 62.2429 176.0884 10 A 3.9512 9.1489 124.5226 54.8830 18.2448 179.5844 11 V 3.0835 7.5689 116.2765 66.3532 31.4956 178.1845 12 T 3.9195 7.9594 114.9357 66.7517 68.1473 176.4961 13 A 4.0498 7.6844 120.9873 55.2339 18.6201 179.1663 14 L 3.9731 7.9636 118.3928 57.7800 42.0406 178.9814 15 W 4.3687 8.4053 128.3803 60.2695 30.5578 177.8998 16 G 3.8115 8.1952 104.0553 46.4206 0.0000 173.8871 17 K 4.4582 7.4685 118.5536 55.9649 32.8211 176.2163 18 V 3.7668 7.3993 120.6054 61.8901 32.1129 175.7003 19 N 4.4880 8.3928 125.5763 52.8360 39.1322 175.5378 20 V 3.6076 8.1013 128.7919 65.8804 31.8814 177.4128 21 D 4.4003 8.1226 118.4279 57.1124 40.6782 178.2687 22 E 4.0219 8.0547 119.2053 59.2826 29.5726 179.2344 23 V 3.5831 7.8126 118.1676 65.9867 31.6008 178.4137 24 G 3.6822 8.1699 105.5439 47.6270 0.0000 175.8154 25 G 3.6202 7.6262 107.0284 47.6905 0.0000 175.4860 26 E 3.9469 8.6116 122.3431 58.3929 29.6713 178.7256 27 A 4.0014 8.2592 121.5170 54.7541 18.3577 179.3416 28 L 3.9650 7.6051 117.6041 58.2907 42.3855 178.7497 29 G 3.8089 7.8616 105.0130 48.3646 0.0000 175.4519 30 R 3.8126 7.7644 119.4303 58.4088 30.1934 178.6621 31 L 3.9660 7.7194 119.7047 58.5978 41.5477 179.0199 32 L 4.1118 8.1141 117.3965 56.2535 41.3606 179.0154 33 V 3.7795 7.1815 117.2481 64.9587 32.2570 176.9211 34 V 3.3805 8.0241 117.3287 64.8245 32.1846 175.8097 35 Y 3.7831 7.2694 116.5843 54.8027 37.7506 174.6019 36 P 4.3763 0.0000 0.0000 65.1156 31.3563 178.0355 37 W 4.3755 8.0388 115.5286 58.9665 27.9861 177.6474 38 T 4.2883 8.1705 110.9502 63.7701 68.4312 175.9978 39 Q 4.3129 8.2550 121.7392 57.8385 28.3980 178.1554 40 R 3.7756 7.4719 117.2661 59.3895 29.3023 178.2584 41 F 4.2037 7.5449 115.5648 57.7047 39.8695 175.6807 42 F 4.7933 7.4695 117.0620 56.6893 39.4898 176.1714 43 E 4.1801 8.0884 122.4897 59.4473 29.9353 179.1004 44 S 4.8537 8.1259 111.4490 58.8355 63.1186 174.6834 45 F 4.6721 8.9451 121.5926 59.0812 40.7333 175.4742 46 G 3.8583 8.1850 106.7187 44.1333 0.0000 172.9119 47 D 4.5133 8.6943 124.5122 54.4299 41.5425 176.5488 48 L 4.8975 8.2954 126.9634 54.6990 42.8610 178.0855 49 S 4.3241 8.6678 118.2849 60.9874 63.1541 175.0848 50 T 4.7447 7.4450 109.1390 58.1538 73.0199 172.5381 51 P 4.1884 0.0000 0.0000 66.4040 31.5265 178.7691 52 D 4.3598 8.0924 116.2004 56.8272 40.6140 178.7074 53 A 3.9309 7.8603 121.8155 55.0602 18.2842 179.4538 54 V 3.6057 7.6666 115.4494 66.8110 31.6552 178.0514 55 M 4.2844 8.0769 116.7109 58.0384 31.7803 178.6475 56 G 3.9036 7.6934 105.0737 46.0862 0.0000 173.1807 57 N 4.2879 8.8130 121.7530 53.1166 39.0096 173.5865 58 P 4.3866 0.0000 0.0000 65.0901 31.5433 178.1275 59 K 3.6677 8.2905 120.2680 59.3259 31.8172 178.4595 60 V 3.8331 7.9337 118.6823 65.3750 31.6049 177.3795 61 K 3.7365 8.2842 119.0881 59.8045 31.6364 178.5994 62 A 4.1213 8.2333 120.8009 55.2713 18.4882 179.1093 63 H 4.3190 8.3620 116.7597 59.1051 29.9018 177.6605 64 G 3.6298 8.3900 108.0602 47.7955 0.0000 175.6117 65 K 4.0277 7.7394 120.8699 58.8257 32.1140 178.9263 66 K 3.9700 7.7184 119.8133 59.3097 32.2719 178.9798 67 V 3.6489 7.9351 118.6081 66.2564 31.5410 178.1266 68 L 4.3270 8.2314 118.6773 57.6113 41.2160 179.5502 69 G 3.8493 8.1574 104.2746 46.8104 0.0000 174.9102 70 A 4.4576 7.6459 122.2633 54.1916 19.1582 179.1102 71 F 4.1747 8.2705 119.2290 61.5949 39.1919 177.3088 72 S 4.1721 8.1593 111.9455 61.2052 62.5664 175.6422 73 D 4.5976 8.1593 122.1870 57.1758 40.7149 178.8467 74 G 3.6499 7.9778 105.3502 46.9996 0.0000 174.4618 75 L 4.3065 7.0362 118.9209 54.6646 41.6228 176.7657 76 A 4.7105 7.6727 119.2743 51.9727 20.1117 176.2541 77 H 4.9051 7.8783 113.9090 55.9735 30.0433 176.0612 78 L 3.9237 8.1177 121.8960 57.9837 41.5131 178.1394 79 D 4.5638 7.9048 115.2989 55.1594 41.6625 176.3277 80 N 4.9290 8.2431 118.0345 51.3635 40.3461 174.9415 81 L 4.0313 7.9446 123.2890 57.9353 42.0786 179.1910 82 K 3.9870 8.1845 116.8728 59.7697 32.0021 178.9268 83 G 3.7369 8.5386 105.5938 47.9955 0.0000 175.6087 84 T 3.6770 7.2249 117.1598 66.1674 68.7214 175.8417 85 F 4.7492 7.8109 117.3209 57.4047 38.9886 177.6884 86 A 4.0265 7.6842 122.4002 55.7772 18.2278 180.4032 87 T 3.8330 7.9908 113.2207 67.0763 68.5462 176.6241 88 L 4.1493 7.9768 120.1213 57.6828 41.6813 179.2280 89 S 4.3161 8.7299 113.5152 61.5270 62.1155 175.7216 90 E 3.8974 8.4578 121.4369 60.0485 29.3130 178.6693 91 L 3.8978 8.0462 119.5977 58.9242 42.0209 178.5061 92 H 4.3501 8.7030 116.1286 58.7175 28.6000 177.2613 93 C 3.6098 7.6230 119.4005 61.7236 31.6914 174.5381 94 D 4.4554 8.8939 119.7539 56.4679 40.8449 177.3871 95 K 4.3641 8.5356 117.0095 57.8133 33.3325 177.5261 96 L 4.2116 7.9142 115.1356 54.2932 42.5138 176.0864 97 A 3.7588 7.8175 120.3140 52.9628 15.9188 177.0748 98 V 3.9026 7.8095 119.7863 61.8019 33.2104 174.6354 99 D 4.4884 8.4689 126.6906 52.8750 41.5204 174.8603 100 P 3.0815 0.0000 0.0000 65.1650 31.7912 177.9816 101 E 3.8303 8.6264 119.0722 59.3872 29.2845 178.4928 102 N 4.2347 8.4219 116.7371 56.2304 38.6266 176.9709 103 F 4.4426 7.4502 119.1370 60.9510 39.0200 178.0683 104 R 3.9502 7.9519 116.8036 59.2809 30.0103 178.7215 105 L 3.8061 7.6112 118.3272 57.8192 41.4652 179.4220 106 L 4.0768 8.1933 120.2551 57.9078 41.9724 179.2159 107 G 3.6085 7.9323 105.3386 48.1312 0.0000 175.4306 108 N 4.4809 8.2114 119.7346 55.7542 38.5090 177.7541 109 V 3.6672 7.8927 119.8137 65.9247 31.6061 177.2000 110 L 3.7880 8.1595 120.3259 58.0154 41.8042 178.7808 111 V 3.5559 8.6463 117.8416 66.5557 31.0773 178.1351 112 C 3.9996 7.9436 115.9739 62.9528 27.8826 176.3211 113 V 3.5417 8.1109 119.9783 65.9812 31.1368 178.0511 114 L 3.9649 7.8432 118.5332 57.3318 41.2521 179.1864 115 A 3.3585 7.2095 120.8374 55.0094 17.9695 179.1609 116 H 4.1041 7.5160 115.0692 59.3705 29.9533 177.0903 117 H 4.1359 7.7824 117.4406 58.4577 28.9218 176.9300 118 F 4.5788 8.0000 116.9340 55.0752 39.2288 179.5825 119 G 3.7833 8.4788 108.4584 46.0990 0.0000 176.6323 120 K 4.0169 9.4080 122.3596 59.3588 32.5376 177.8234 121 E 4.1256 8.5561 118.7365 58.3276 29.8395 176.2165 122 F 4.5567 7.9811 121.5596 58.1715 39.7456 175.8843 123 T 3.9677 7.7372 110.1461 60.7939 70.8067 171.2424 124 P 4.2213 0.0000 0.0000 65.7450 31.3867 177.1108 125 P 4.2314 0.0000 0.0000 65.4587 31.1592 178.9350 126 V 3.5410 7.5713 117.0624 65.8478 31.4796 177.5606 127 Q 3.8578 7.7652 119.1965 59.3854 28.7687 178.1523 128 A 3.9901 8.0560 121.2727 55.5534 18.3373 179.5771 129 A 3.8745 7.6373 117.3946 55.4927 18.3994 179.4726 130 Y 4.0416 8.0439 115.2986 61.1801 37.9129 178.8407 131 Q 4.1015 8.8033 119.3828 58.9251 28.5269 178.9386 132 K 3.9226 8.1943 119.5823 59.4846 32.1186 179.5178 133 V 3.5392 8.1575 118.5324 66.2591 31.7156 178.6020 134 V 3.9669 8.8525 112.5131 63.9619 31.3458 178.3828 135 A 4.2826 8.0615 120.7564 54.7266 18.2356 179.8982 136 G 3.4966 7.6928 104.3049 47.9177 0.0000 176.1415 137 V 3.4167 7.8489 119.9892 64.7265 31.4427 178.1622 138 A 3.7547 7.3361 119.6888 55.3357 18.3385 179.2994 139 N 4.2994 8.1818 114.6855 56.2250 38.3052 177.5032 140 A 4.0149 7.7426 121.4768 55.2934 18.6425 179.4602 141 L 3.9983 7.2136 114.5151 56.6336 41.8107 178.5051 142 A 4.3717 7.9224 120.0481 53.1959 19.0365 178.3332 143 H 4.3611 8.0184 116.5230 58.1535 30.1466 175.9069 144 K 4.3846 7.9678 116.7630 56.3454 32.2116 176.4618 145 Y 4.2089 7.8178 117.4891 58.5764 38.4201 175.8759 146 H 4.4724 8.3630 116.7302 56.1902 28.3561 173.3109 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 4.42 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 2 H 8.66 4.35 0.00 3.17 3.24 0.00 5.69 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 3 L 8.34 4.79 0.00 1.56 1.45 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.03 4.43 4.32 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 1.26 0.00 0.00 5 P 0.00 4.34 0.00 2.14 2.06 0.00 3.55 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 2.08 2.07 0.00 6 E 8.04 3.97 0.00 1.90 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 2.29 2.37 0.00 7 E 7.70 4.01 0.00 2.20 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 2.34 2.34 0.00 8 K 8.48 4.49 0.00 1.75 1.74 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.56 7.81 9 S 7.99 4.07 0.00 3.91 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 10 A 9.15 3.95 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 11 V 7.57 3.08 1.93 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 0.73 0.00 0.00 0.08 0.00 0.00 12 T 7.96 3.92 4.32 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 1.26 0.00 0.00 13 A 7.68 4.05 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 14 L 7.96 3.97 0.00 1.72 1.90 0.69 0.32 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 15 W 8.41 4.37 0.00 3.87 3.38 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 16 G 8.20 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.47 4.46 0.00 2.01 2.08 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.40 7.81 18 V 7.40 3.77 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 0.00 0.00 0.14 0.00 0.00 0.61 0.00 0.00 19 N 8.39 4.49 0.00 2.73 2.66 0.00 0.00 6.86 7.71 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 20 V 8.10 3.61 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 1.11 0.00 0.00 0.88 0.00 0.00 21 D 8.12 4.40 0.00 2.78 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 22 E 8.05 4.02 0.00 2.06 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 2.30 2.28 0.00 23 V 7.81 3.58 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 1.08 0.00 0.00 0.69 0.00 0.00 24 G 8.17 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 0.00 0.00 0.00 25 G 7.63 3.62 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 0.00 0.00 0.00 26 E 8.61 3.95 0.00 1.93 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 2.20 2.24 0.00 27 A 8.26 4.00 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 28 L 7.61 3.96 0.00 1.60 1.65 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.76 3.81 0.00 1.84 1.92 0.00 3.09 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 31 L 7.72 3.97 0.00 1.92 1.93 0.98 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 32 L 8.11 4.11 0.00 1.78 1.67 0.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.18 3.78 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 0.77 0.00 0.00 0.92 0.00 0.00 34 V 8.02 3.38 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 -0.04 0.00 0.00 0.74 0.00 0.00 35 Y 7.27 3.78 0.00 2.71 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 36 P 0.00 4.38 0.00 2.34 2.35 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.98 0.00 37 W 8.04 4.38 0.00 3.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 4.29 4.38 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 1.10 0.00 0.00 39 Q 8.26 4.31 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 40 R 7.47 3.78 0.00 1.53 1.90 0.00 3.08 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 41 F 7.54 4.20 0.00 2.08 2.60 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 42 F 7.47 4.79 0.00 2.77 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 0.00 0.00 0.00 43 E 8.09 4.18 0.00 2.01 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 2.50 2.20 0.00 44 S 8.13 4.85 0.00 4.10 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 45 F 8.95 4.67 0.00 3.15 3.15 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 0.00 0.00 0.00 46 G 8.19 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 0.00 0.00 0.00 47 D 8.69 4.51 0.00 2.67 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 48 L 8.30 4.90 0.00 1.73 1.62 1.05 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 49 S 8.67 4.32 0.00 3.85 3.93 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 50 T 7.44 4.74 4.23 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.15 2.13 0.00 3.59 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 2.10 2.18 0.00 52 D 8.09 4.36 0.00 2.67 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 53 A 7.86 3.93 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 54 V 7.67 3.61 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 0.88 0.00 0.00 0.95 0.00 0.00 55 M 8.08 4.28 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.87 0.00 56 G 7.69 3.90 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 57 N 8.81 4.29 0.00 2.71 2.79 0.00 0.00 6.93 5.12 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 58 P 0.00 4.39 0.00 2.25 2.26 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 59 K 8.29 3.67 0.00 1.68 0.79 0.00 1.50 0.00 0.00 1.36 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.41 1.04 7.81 60 V 7.93 3.83 2.36 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 1.02 0.00 0.00 1.11 0.00 0.00 61 K 8.28 3.74 0.00 1.91 1.92 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 62 A 8.23 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.36 4.32 0.00 3.66 3.57 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.39 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.03 0.00 1.90 2.00 0.00 1.93 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 66 K 7.72 3.97 0.00 1.98 1.79 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.48 7.81 67 V 7.94 3.65 2.29 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 1.01 0.00 0.00 0.95 0.00 0.00 68 L 8.23 4.33 0.00 1.94 1.90 1.13 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.16 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 70 A 7.65 4.46 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 71 F 8.27 4.17 0.00 3.18 3.27 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 0.00 0.00 0.00 72 S 8.16 4.17 0.00 4.48 4.28 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 73 D 8.16 4.60 0.00 2.90 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 74 G 7.98 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 0.00 0.00 0.00 75 L 7.04 4.31 0.00 1.28 1.41 -0.11 0.67 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 76 A 7.67 4.71 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 77 H 7.88 4.91 0.00 3.07 3.14 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 3.92 0.00 1.53 1.66 0.79 1.04 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 79 D 7.90 4.56 0.00 2.62 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 80 N 8.24 4.93 0.00 2.70 2.62 0.00 0.00 7.14 6.22 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 81 L 7.94 4.03 0.00 1.74 1.82 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.18 3.99 0.00 1.66 1.86 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.42 7.81 83 G 8.54 3.74 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 0.00 0.00 0.00 84 T 7.22 3.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 85 F 7.81 4.75 0.00 3.14 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 86 A 7.68 4.03 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 87 T 7.99 3.83 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 1.22 0.00 0.00 88 L 7.98 4.15 0.00 2.04 1.89 1.03 0.98 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 89 S 8.73 4.32 0.00 4.11 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 90 E 8.46 3.90 0.00 2.04 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 2.34 2.64 0.00 91 L 8.05 3.90 0.00 1.96 1.82 0.93 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 92 H 8.70 4.35 0.00 3.54 3.64 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.62 3.61 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 94 D 8.89 4.46 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 95 K 8.54 4.36 0.00 1.78 1.84 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 96 L 7.91 4.21 0.00 1.64 1.72 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.82 3.76 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 98 V 7.81 3.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.51 0.00 0.00 99 D 8.47 4.49 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.08 0.00 1.91 1.84 0.00 3.35 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 0.00 101 E 8.63 3.83 0.00 2.04 1.90 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 2.30 2.38 0.00 102 N 8.42 4.23 0.00 2.36 2.72 0.00 0.00 6.94 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 0.00 103 F 7.45 4.44 0.00 3.11 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 0.00 104 R 7.95 3.95 0.00 1.98 1.96 0.00 3.30 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.61 3.81 0.00 1.69 1.37 0.59 0.03 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 0.00 106 L 8.19 4.08 0.00 1.81 1.84 0.93 0.94 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 0.00 107 G 7.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.48 0.00 2.79 2.95 0.00 0.00 6.77 7.45 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 0.00 109 V 7.89 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.12 0.00 0.00 110 L 8.16 3.79 0.00 1.86 1.74 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.65 3.56 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 1.15 0.00 0.00 1.11 0.00 0.00 112 C 7.94 4.00 0.00 3.18 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 0.00 113 V 8.11 3.54 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 0.91 0.00 0.00 0.86 0.00 0.00 114 L 7.84 3.96 0.00 1.40 1.24 0.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.21 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.52 4.10 0.00 3.10 3.42 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.78 4.14 0.00 2.88 2.42 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.00 4.58 0.00 3.36 3.19 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 0.00 119 G 8.48 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 9.41 4.02 0.00 1.81 1.94 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 121 E 8.56 4.13 0.00 2.16 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 0.00 2.39 2.33 0.00 122 F 7.98 4.56 0.00 3.17 3.19 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 0.00 123 T 7.74 3.97 4.23 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 1.27 0.00 0.00 124 P 0.00 4.22 0.00 2.18 2.18 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 125 P 0.00 4.23 0.00 2.11 2.08 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 126 V 7.57 3.54 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 0.85 0.00 0.00 0.83 0.00 0.00 127 Q 7.77 3.86 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 128 A 8.06 3.99 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 0.00 129 A 7.64 3.87 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 0.00 130 Y 8.04 4.04 0.00 3.28 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 0.00 131 Q 8.80 4.10 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 132 K 8.19 3.92 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.55 7.81 133 V 8.16 3.54 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 0.96 0.00 0.00 0.76 0.00 0.00 134 V 8.85 3.97 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 1.07 0.00 0.00 1.09 0.00 0.00 135 A 8.06 4.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.42 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 0.59 0.00 0.00 0.53 0.00 0.00 138 A 7.34 3.75 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 0.00 139 N 8.18 4.30 0.00 2.74 2.88 0.00 0.00 7.00 6.35 0.00 0.00 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 A 7.74 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.21 4.00 0.00 0.71 0.85 -0.24 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.92 4.37 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 0.00 143 H 8.02 4.36 0.00 3.17 3.63 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.97 4.38 0.00 1.90 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.60 7.81 145 Y 7.82 4.21 0.00 3.06 2.96 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 0.00 146 H 8.36 4.47 0.00 3.20 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00