NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.8231 8.1444 118.3698 58.0253 39.2533 174.8364 4 M 4.2213 7.9331 118.6952 54.7138 33.3484 173.9273 5 L 4.1849 8.2810 123.7112 53.9609 43.5466 175.0409 6 P 4.6070 0.0000 0.0000 63.3716 32.5369 174.7894 7 H 5.4379 8.8945 118.1090 54.0875 32.0732 173.0674 8 L 4.7302 8.3183 120.1774 53.4340 44.0953 176.4642 9 H 5.0178 10.2918 118.7610 54.7709 30.1534 173.7817 10 N 5.0945 7.7717 116.8754 50.5562 41.1918 175.2269 11 G 3.8553 8.6845 108.6388 47.1114 0.0000 175.4764 12 W 4.2713 8.3387 130.1680 60.5425 30.7508 177.9548 13 Q 3.4809 9.0246 118.3252 58.6700 28.0420 178.8777 14 V 3.2829 7.7616 119.2738 65.8967 31.5942 177.6754 15 D 4.2590 8.5296 118.9543 57.6129 40.4860 178.9538 16 Q 3.7071 7.4927 116.7047 58.6969 28.7759 178.4720 17 A 3.9005 7.6405 121.6915 55.1532 18.1105 179.7552 18 I 3.4907 7.3351 117.2738 64.3335 37.1958 178.1938 19 L 4.0693 7.7327 119.9495 56.8865 42.0130 177.9321 20 S 4.7123 7.3706 111.8362 57.3970 64.1287 173.4442 21 E 4.5334 7.5357 123.1895 54.8905 30.4228 176.2967 22 E 3.8117 8.6826 124.3622 58.2953 30.0153 177.4334 23 D 5.2783 7.9739 115.9765 53.6944 42.6128 174.9702 24 R 5.1512 7.9682 116.5316 54.2847 34.3208 175.2491 25 V 4.2846 9.3086 123.9305 63.3799 33.1520 174.9534 26 V 4.5393 9.3643 128.8000 61.9404 32.8580 174.5343 27 V 4.5510 9.0557 129.6278 61.5450 33.1944 174.5037 28 I 4.7108 8.3561 128.5788 59.3484 40.4745 174.3914 29 R 4.5703 8.5101 128.0033 54.8406 31.5308 174.6845 30 F 5.1036 9.4437 127.5382 54.5626 40.6583 175.4825 31 G 4.3577 8.1928 114.0246 46.3031 0.0000 173.2048 32 H 4.8104 7.5088 120.5137 53.9901 32.4746 173.9461 33 D 4.3573 8.7810 123.7055 57.2123 40.7987 178.1908 34 W 4.3676 7.6948 114.4238 58.3669 28.7884 176.2823 35 D 4.5304 7.3127 120.2867 53.0867 42.0801 174.7403 36 P 4.3084 0.0000 0.0000 66.1105 31.4718 178.9282 37 T 3.8909 7.9507 113.8878 66.9157 68.4708 176.3089 38 C 4.0631 8.3665 118.5558 62.9916 28.1275 176.0603 39 M 4.0211 8.3686 120.6607 58.4643 31.0343 179.0455 40 K 4.0223 7.9529 118.2041 59.5367 32.1910 179.2336 41 M 4.0031 8.1497 118.5627 58.6839 32.1898 177.9719 42 D 4.3124 8.6471 119.4361 57.3938 41.0432 178.4405 43 E 4.1285 8.0984 119.3353 58.9888 29.6071 179.1700 44 V 3.5606 7.4964 117.5015 65.9496 31.8347 177.8889 45 L 3.9050 7.9759 118.7401 57.9965 41.2753 178.8504 46 Y 4.0532 8.3110 118.5493 60.8286 38.8501 178.1825 47 S 4.2020 8.0097 112.5632 59.8695 63.6813 175.0929 48 I 4.2091 7.4927 115.2470 60.6290 37.9387 177.0647 49 A 3.8047 7.4359 122.6314 55.6198 18.2077 179.1758 50 E 3.8962 7.8262 116.3429 59.2440 29.3206 179.5883 51 K 3.9188 7.7654 117.0754 59.5184 32.4420 178.1893 52 V 3.2939 7.5248 110.0992 60.6748 31.5363 178.0637 53 K 4.1884 7.0256 118.5144 58.7687 32.4705 178.1745 54 N 4.4693 7.8159 116.7599 55.3851 38.8634 175.3003 55 F 4.7936 7.6231 109.9680 55.8181 39.8506 174.4448 56 A 5.2267 7.2292 120.6056 50.8879 22.6775 175.6818 57 V 4.2819 8.8584 121.3928 59.7456 34.5269 174.5524 58 I 4.8205 7.8987 123.3655 59.7199 39.5685 174.4624 59 Y 4.9426 9.0408 123.8004 56.1251 41.9927 174.3126 60 L 4.8424 8.6326 122.6788 52.9971 44.4089 175.5880 61 V 4.5509 8.4934 123.6375 60.9351 34.7144 173.7121 62 D 5.1455 8.7504 128.1102 53.5242 41.9581 176.2193 63 I 4.8279 8.3490 121.4685 61.3020 37.9126 177.3856 64 T 4.2790 7.9718 117.7681 66.7436 69.2713 176.0147 65 E 4.2984 8.7640 121.2336 57.7881 30.7488 175.8088 66 V 4.5735 8.4878 120.0215 60.3809 31.4274 173.3911 67 P 4.9105 0.0000 0.0000 62.4120 32.0595 178.3331 68 D 4.0501 7.9119 120.0398 57.1302 40.7523 177.9133 69 F 4.5803 7.5797 114.4739 57.0283 40.3435 176.9859 70 N 4.0381 8.1585 119.9206 56.3282 38.7410 177.1648 71 K 3.8863 8.0986 118.3978 59.7696 32.6164 178.0751 72 M 3.8190 8.0399 116.5347 58.5908 31.8773 176.4168 73 Y 4.7407 7.7511 112.5111 56.8127 38.7215 175.7427 74 E 3.2861 7.3610 118.2090 57.4214 27.6611 177.4083 75 L 4.1694 7.0344 118.3670 53.8667 40.2149 177.0323 76 Y 4.8787 7.5065 115.2989 57.6702 39.9647 176.1989 77 D 4.7982 7.8851 119.4747 52.8318 42.0441 174.4600 78 P 4.3875 0.0000 0.0000 65.4687 31.7413 176.6640 79 C 4.9210 7.8682 117.3947 57.8757 35.0497 172.9337 80 T 4.9709 9.0848 122.3518 61.9090 72.1075 172.7888 81 V 4.5618 8.9848 127.4094 61.4601 33.4594 174.5517 82 M 4.8737 8.6469 126.5514 53.3670 36.4224 174.3295 83 F 5.4105 8.1420 117.8843 55.9042 43.1493 174.3186 84 F 5.4000 9.2112 120.0098 55.9155 43.6525 173.5526 85 F 5.0275 9.4421 124.7963 57.0464 42.6035 174.7735 86 R 3.6204 7.9200 124.4475 57.4241 27.8395 176.2448 87 N 4.3356 8.1822 110.4304 53.7851 38.3023 172.9756 88 K 4.7324 7.9191 116.4840 54.6292 34.5140 175.0611 89 H 4.1667 9.0811 123.5439 56.3424 30.1441 174.0440 90 I 4.3458 8.1957 128.6235 60.1146 38.4459 175.3972 91 M 4.5199 8.8018 127.2586 54.3380 34.3476 175.1566 92 I 4.9060 8.8141 122.0132 59.1653 41.5260 173.8497 93 D 4.8904 9.5825 130.3494 53.8998 41.3806 175.9423 94 L 4.9409 8.2798 125.2852 53.4420 42.9466 178.5060 95 G 4.0903 8.7898 106.9075 46.7749 0.0000 174.4822 96 T 4.2326 7.9760 108.3324 61.2673 69.7263 175.1896 97 G 3.9248 8.5750 110.2355 44.8553 0.0000 172.5967 98 N 4.7860 7.3659 116.2227 52.1468 39.1271 173.8809 99 N 5.4233 8.4862 122.2252 53.1548 39.2740 176.9139 100 N 4.5810 8.5346 116.4947 55.1678 39.1036 175.1520 101 K 4.4397 7.5716 113.7583 56.1241 34.9003 174.4899 102 I 3.9300 8.2201 122.2255 59.9995 37.5624 176.3559 103 N 5.9416 8.8174 125.3124 50.4028 37.7374 174.0155 104 W 5.0194 7.3291 112.7891 56.0782 31.0560 174.1662 105 A 4.0755 8.6136 123.6384 51.6240 17.4555 176.8241 106 M 4.5409 8.0537 120.1788 55.1339 32.4260 176.0543 107 E 4.4247 8.8234 122.1961 56.1377 30.1855 175.7455 108 D 4.6914 7.8677 119.8297 52.9714 41.8507 176.6955 109 K 3.9392 8.5250 127.1791 59.6615 32.2997 178.8547 110 Q 3.9944 8.0860 119.0609 59.3223 28.9280 178.1277 111 E 3.9954 8.4131 118.9996 59.8672 29.5895 178.9472 112 M 4.0413 8.1392 117.9673 58.4811 32.2011 178.2724 113 V 3.6368 7.8631 118.3873 66.3138 31.6946 177.7083 114 D 4.3669 8.7315 118.7749 57.3688 40.5371 178.8972 115 I 3.6471 7.9876 120.2841 64.5207 37.0764 178.5127 116 I 3.5087 7.8527 120.5249 64.3551 36.8547 178.1170 117 E 3.8082 8.5843 120.3129 59.4762 29.3896 179.0634 118 T 3.7494 8.0489 115.9040 66.4441 68.4304 176.7028 119 V 3.3389 7.7398 120.3481 66.0452 31.4853 177.3004 120 Y 3.7619 8.1502 119.3312 60.8158 38.4429 178.3777 121 R 3.6610 7.9406 117.7759 58.9248 30.4140 179.0077 122 G 3.5936 8.2818 105.6285 47.9268 0.0000 175.6622 123 A 4.2651 7.8877 125.6925 53.8631 18.0837 179.6835 124 R 3.7421 7.0713 116.4697 58.6840 30.0785 177.8451 125 K 4.3434 7.4863 116.0759 55.8718 32.3606 177.4621 126 G 3.9535 7.8119 108.0490 45.0448 0.0000 174.2979 127 R 3.9881 7.7141 119.9127 56.2682 30.6206 177.2255 128 G 3.9192 8.6380 108.9202 46.6580 0.0000 172.7471 129 L 5.4416 7.7845 121.9350 53.1635 44.9779 175.7740 130 V 4.5670 8.6672 124.1183 60.0139 35.4049 174.1372 131 V 4.8014 8.1783 121.2945 61.2769 33.4022 175.3678 132 S 4.3901 9.0662 122.9591 57.4855 63.8030 173.3010 133 P 4.1662 0.0000 0.0000 64.8999 31.3653 176.4306 134 K 4.3116 7.6117 117.2043 54.1590 33.5833 174.8185 135 D 4.4365 8.2386 125.2250 54.3396 41.6442 176.0644 136 Y 4.2959 8.4506 127.1370 57.9497 38.5411 175.9455 137 S 4.2553 8.1438 119.4048 58.7632 63.5971 169.3038 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 3 Y 8.14 4.82 0.00 3.02 2.83 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 4 M 7.93 4.22 0.00 2.11 2.00 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 2.60 2.71 0.00 5 L 8.28 4.18 0.00 1.70 1.54 0.94 0.97 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 6 P 0.00 4.61 0.00 2.27 2.21 0.00 3.56 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 7 H 8.89 5.44 0.00 2.96 3.12 0.00 5.66 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 8 L 8.32 4.73 0.00 1.36 1.38 0.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 9 H 10.29 5.02 0.00 3.24 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.77 5.09 0.00 3.06 2.98 0.00 0.00 6.09 6.95 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 11 G 8.68 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 12 W 8.34 4.27 0.00 3.37 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.02 3.48 0.00 2.37 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.80 0.00 14 V 7.76 3.28 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 0.62 0.00 0.00 1.01 0.00 0.00 15 D 8.53 4.26 0.00 2.77 2.65 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 16 Q 7.49 3.71 0.00 1.60 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 1.24 1.28 0.00 17 A 7.64 3.90 0.69 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 0.00 0.00 18 I 7.34 3.49 1.57 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.21 0.66 0.00 0.00 19 L 7.73 4.07 0.00 1.85 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.37 4.71 0.00 3.96 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 21 E 7.54 4.53 0.00 1.98 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 0.00 2.32 2.29 0.00 22 E 8.68 3.81 0.00 1.93 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 2.26 2.24 0.00 23 D 7.97 5.28 0.00 2.71 2.82 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 24 R 7.97 5.15 0.00 1.84 1.82 0.00 3.21 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 25 V 9.31 4.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.22 0.00 0.00 26 V 9.36 4.54 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.06 0.00 0.00 27 V 9.06 4.55 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 0.55 0.00 0.00 1.14 0.00 0.00 28 I 8.36 4.71 1.60 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.55 -0.43 0.00 0.00 29 R 8.51 4.57 0.00 1.64 1.61 0.00 3.11 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 30 F 9.44 5.10 0.00 2.98 2.83 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 31 G 8.19 4.36 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 0.00 0.00 0.00 32 H 7.51 4.81 0.00 1.47 2.34 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.78 4.36 0.00 2.73 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 34 W 7.69 4.37 0.00 3.49 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 35 D 7.31 4.53 0.00 1.66 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.31 0.00 2.24 2.14 0.00 3.75 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 37 T 7.95 3.89 4.41 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 1.24 0.00 0.00 38 C 8.37 4.06 0.00 3.06 2.84 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 39 M 8.37 4.02 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.59 0.00 40 K 7.95 4.02 0.00 2.00 1.86 0.00 1.69 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.58 7.81 41 M 8.15 4.00 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 42 D 8.65 4.31 0.00 2.81 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 43 E 8.10 4.13 0.00 2.10 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 0.00 2.35 2.47 0.00 44 V 7.50 3.56 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 1.04 0.00 0.00 45 L 7.98 3.90 0.00 1.84 1.64 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.31 4.05 0.00 2.89 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 47 S 8.01 4.20 0.00 4.11 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 0.00 48 I 7.49 4.21 1.82 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 1.65 0.72 0.99 0.00 0.00 49 A 7.44 3.80 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 50 E 7.83 3.90 0.00 1.81 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 2.18 2.15 0.00 51 K 7.77 3.92 0.00 1.80 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 52 V 7.52 3.29 1.15 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 0.74 0.00 0.00 0.72 0.00 0.00 53 K 7.03 4.19 0.00 1.74 1.98 0.00 1.50 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.25 7.81 54 N 7.82 4.47 0.00 2.80 2.97 0.00 0.00 6.69 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 55 F 7.62 4.79 0.00 1.55 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 56 A 7.23 5.23 1.04 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 57 V 8.86 4.28 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 0.94 0.00 0.00 0.41 0.00 0.00 58 I 7.90 4.82 1.68 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.77 0.00 0.00 59 Y 9.04 4.94 0.00 2.69 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 60 L 8.63 4.84 0.00 1.15 1.35 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.49 4.55 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 1.13 0.00 0.00 0.65 0.00 0.00 62 D 8.75 5.15 0.00 2.91 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 63 I 8.35 4.83 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 1.09 0.00 0.00 64 T 7.97 4.28 4.65 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 1.33 0.00 0.00 65 E 8.76 4.30 0.00 2.13 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 0.00 2.53 2.39 0.00 66 V 8.49 4.57 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 1.20 0.00 0.00 1.11 0.00 0.00 67 P 0.00 4.91 0.00 2.25 2.30 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 68 D 7.91 4.05 0.00 1.67 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 0.00 0.00 0.00 69 F 7.58 4.58 0.00 2.89 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 70 N 8.16 4.04 0.00 2.86 2.78 0.00 0.00 6.56 6.81 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 71 K 8.10 3.89 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 72 M 8.04 3.82 0.00 1.15 1.79 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 2.40 2.26 0.00 73 Y 7.75 4.74 0.00 2.76 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 74 E 7.36 3.29 0.00 2.03 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 2.46 2.31 0.00 75 L 7.03 4.17 0.00 1.50 1.46 0.14 0.38 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 76 Y 7.51 4.88 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.89 4.80 0.00 2.72 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 78 P 0.00 4.39 0.00 2.05 2.42 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 79 C 7.87 4.92 0.00 2.88 2.68 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 80 T 9.08 4.97 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 1.21 0.00 0.00 81 V 8.98 4.56 1.75 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 0.44 0.00 0.00 0.70 0.00 0.00 82 M 8.65 4.87 0.00 1.52 1.90 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 83 F 8.14 5.41 0.00 2.89 2.84 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 84 F 9.21 5.40 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.44 5.03 0.00 3.05 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 86 R 7.92 3.62 0.00 1.85 1.80 0.00 3.31 0.00 0.00 3.07 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 87 N 8.18 4.34 0.00 2.84 2.94 0.00 0.00 7.10 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 88 K 7.92 4.73 0.00 2.12 1.76 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 89 H 9.08 4.17 0.00 3.06 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.20 4.35 1.86 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 1.47 1.08 0.83 0.00 0.00 91 M 8.80 4.52 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.21 0.00 92 I 8.81 4.91 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.99 0.00 0.00 93 D 9.58 4.89 0.00 2.78 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 94 L 8.28 4.94 0.00 1.90 2.12 1.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.79 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 0.00 0.00 0.00 0.00 96 T 7.98 4.23 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 1.15 0.00 0.00 97 G 8.57 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 98 N 7.37 4.79 0.00 2.80 2.84 0.00 0.00 7.17 7.67 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 99 N 8.49 5.42 0.00 2.81 2.83 0.00 0.00 7.63 6.92 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 0.00 100 N 8.53 4.58 0.00 2.93 2.94 0.00 0.00 6.76 7.23 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 0.00 101 K 7.57 4.44 0.00 1.88 1.68 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.43 7.81 102 I 8.22 3.93 1.47 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.78 -0.44 0.00 0.00 103 N 8.82 5.94 0.00 2.86 2.90 0.00 0.00 6.18 8.88 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 0.00 104 W 7.33 5.02 0.00 3.32 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 0.00 105 A 8.61 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 8.05 4.54 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.19 0.00 107 E 8.82 4.42 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 2.26 2.32 0.00 108 D 7.87 4.69 0.00 2.81 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 0.00 109 K 8.53 3.94 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.51 7.81 110 Q 8.09 3.99 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 111 E 8.41 4.00 0.00 2.39 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 0.00 2.55 2.46 0.00 112 M 8.14 4.04 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 113 V 7.86 3.64 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.98 0.00 0.00 114 D 8.73 4.37 0.00 2.85 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 0.00 115 I 7.99 3.65 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.91 0.74 0.00 0.00 116 I 7.85 3.51 2.12 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 1.75 0.98 1.04 0.00 0.00 117 E 8.58 3.81 0.00 2.05 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 2.13 1.85 0.00 118 T 8.05 3.75 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 1.18 0.00 0.00 119 V 7.74 3.34 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 0.89 0.00 0.00 0.25 0.00 0.00 120 Y 8.15 3.76 0.00 3.16 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 0.00 121 R 7.94 3.66 0.00 1.78 1.83 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 122 G 8.28 3.59 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 0.00 0.00 0.00 123 A 7.89 4.27 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.07 3.74 0.00 1.20 1.58 0.00 2.62 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 125 K 7.49 4.34 0.00 1.81 1.74 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.49 7.81 126 G 7.81 3.95 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 0.00 0.00 0.00 127 R 7.71 3.99 0.00 1.77 2.00 0.00 3.23 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 128 G 8.64 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 0.00 129 L 7.78 5.44 0.00 1.57 1.48 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.67 4.57 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 0.59 0.00 0.00 0.84 0.00 0.00 131 V 8.18 4.80 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 0.89 0.00 0.00 0.92 0.00 0.00 132 S 9.07 4.39 0.00 4.14 4.13 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 0.00 133 P 0.00 4.17 0.00 2.07 2.17 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 2.04 2.08 0.00 134 K 7.61 4.31 0.00 1.56 1.19 0.00 1.74 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.88 1.21 7.81 135 D 8.24 4.44 0.00 2.64 2.42 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 0.00 136 Y 8.45 4.30 0.00 3.12 2.68 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 0.00 137 S 8.14 4.26 0.00 4.12 3.95 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