NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3975 8.2649 123.5799 52.4668 18.8958 175.2703 3 R 4.5237 8.3503 117.5995 58.2562 36.7062 175.4297 4 R 4.0827 9.0281 116.5060 58.8601 31.1290 176.7143 5 R 4.6819 7.5100 113.1916 54.5879 33.9660 174.8145 6 R 4.1897 8.5705 118.6347 55.2733 31.1126 177.5421 7 A 3.6739 7.8497 119.2365 52.6323 17.2082 176.0308 8 E 4.4679 8.4414 114.8437 54.8096 32.3878 175.4929 9 V 3.6115 8.4413 123.9291 63.2798 32.0484 175.2914 10 R 4.3922 8.2973 125.1142 54.5334 30.9372 176.3359 11 Q 4.0391 8.6548 122.6696 55.7160 29.0192 176.5196 12 L 3.9860 8.4654 123.2096 54.7922 42.1985 177.2614 13 Q 3.9965 8.5211 120.9068 55.2079 28.0587 174.4528 14 P 4.2703 0.0000 0.0000 62.2969 31.6442 175.0901 15 D 4.5898 8.3124 117.4104 54.5150 41.8249 175.9377 16 L 4.4357 8.2923 119.1781 56.3891 43.7620 178.8151 17 V 3.7516 8.0594 116.0019 65.1680 31.6990 175.9868 18 Y 4.3739 7.7036 114.2469 56.2042 40.0758 173.1532 19 G 4.1994 8.4961 111.1241 44.3285 0.0000 170.8513 20 D 4.3709 7.7359 118.7426 52.4467 44.6197 177.3398 21 V 3.6459 8.2524 120.6773 64.6515 31.4901 178.4097 22 L 4.0437 8.0491 116.8274 57.9439 41.2923 179.2382 23 V 3.7747 8.0940 119.0207 65.7982 31.6421 177.5882 24 T 3.8346 7.6607 107.3973 63.1751 68.3727 175.2013 25 A 4.0079 8.2850 123.5989 55.6835 18.0436 178.8765 26 F 4.5066 8.6409 119.0907 60.5296 40.1553 176.9730 27 I 3.5867 7.4167 119.1891 64.6724 36.6536 177.7120 28 N 4.2793 7.9565 115.9792 56.3346 38.4348 176.9555 29 K 4.1976 7.1391 115.2432 58.6986 32.5737 178.9441 30 I 3.6244 7.6446 119.7450 63.3855 37.7689 177.1010 31 M 4.2814 7.6133 119.1670 54.3603 30.4149 174.9299 32 R 3.9232 7.6636 120.1899 56.7847 30.5146 175.8398 33 D 4.7001 8.8002 125.4396 55.6411 39.5293 172.7636 34 G 3.0009 6.7683 108.0580 44.6119 0.0000 172.1082 35 K 4.3077 7.4063 121.6369 54.7113 34.0324 176.4110 36 K 4.0910 8.6721 127.7130 58.0731 32.7679 176.9978 37 N 4.5164 7.9725 116.2756 56.3132 39.2969 175.9441 38 L 3.8151 7.7963 118.7441 58.6309 42.4765 178.5694 39 A 4.0521 8.0871 120.2938 55.3495 18.5854 178.6917 40 A 4.4724 7.7258 115.3476 52.7397 18.3881 178.1782 41 R 4.6080 8.5395 117.7357 58.2134 32.9616 177.3992 42 I 4.1839 7.7887 114.4730 62.1088 36.7183 176.3300 43 F 4.5633 8.5407 119.9095 58.1307 40.5605 177.0051 44 Y 4.6972 8.5558 116.9904 57.8418 37.3724 175.3116 45 D 4.8164 8.7486 119.6341 53.7685 45.8142 177.1394 46 A 3.9107 8.3337 121.8598 55.1480 18.2796 179.2666 47 C 3.9386 7.9603 112.3377 61.4663 29.8215 175.9984 48 K 4.0815 8.0901 120.2164 58.5843 31.2493 179.1731 49 I 3.6815 7.6275 120.6953 64.3973 36.7662 178.2047 50 I 3.7376 7.2125 120.0660 64.6329 36.8314 178.3414 51 Q 3.9418 7.9986 118.4567 56.6457 28.9901 177.5177 52 E 4.2344 8.5150 116.8868 56.7475 29.0954 177.8735 53 K 4.4783 5.6600 123.4344 60.4031 32.9874 176.8032 54 T 4.1465 7.5812 116.2744 62.9259 68.8575 176.0960 55 G 3.9123 8.7847 112.5332 46.7805 0.0000 172.8260 56 Q 4.6873 7.8544 117.7803 53.4606 32.7068 175.2668 57 E 4.2572 8.4641 119.5736 55.3832 30.5555 176.3397 58 P 4.2582 0.0000 0.0000 66.2681 30.7883 178.2056 59 L 4.1268 8.0777 118.5656 58.1633 41.9108 178.6428 60 K 4.2279 7.8825 116.3656 57.5803 33.3482 177.9882 61 V 4.1393 7.8003 121.7507 61.5676 31.5541 175.1579 62 F 4.7922 8.0706 133.5017 58.5313 38.5807 176.9686 63 K 4.2588 9.2008 116.8908 56.4467 32.6166 177.5452 64 Q 3.9886 8.4281 123.0340 59.2359 29.0356 176.5580 65 A 3.8668 7.8696 121.7906 54.8858 18.2682 179.1453 66 V 3.4465 7.6363 115.5978 66.1404 31.5212 177.5704 67 E 4.0089 7.6969 117.3689 59.5207 29.6573 178.1855 68 N 4.5254 7.6537 112.8543 53.6054 39.5023 175.2743 69 V 4.0705 7.3616 119.9719 62.6027 32.0538 176.7440 70 K 4.4907 7.5044 117.5525 53.8635 32.4216 174.8488 71 P 4.6039 0.0000 0.0000 61.9715 33.5806 176.8783 72 R 4.5473 8.4825 114.7363 56.4156 31.4846 174.5441 73 M 4.9272 7.4772 116.8566 53.9604 35.5297 172.9680 74 E 4.6556 8.2090 115.8449 56.5636 31.8175 174.1010 75 V 4.3327 8.2896 118.6109 61.5011 32.7680 174.9075 76 R 4.5221 8.0811 125.9079 56.3549 33.3046 173.7201 77 S 4.6067 8.1156 110.8840 58.5992 65.1326 174.6391 78 R 4.3788 8.0537 121.5747 55.6850 32.5675 174.4327 79 R 4.5139 8.3879 123.5890 55.0200 31.3829 174.3300 80 V 4.3025 7.7854 115.3543 61.6615 34.2416 176.3023 81 G 4.9228 7.3889 115.9720 44.5077 0.0000 174.2268 82 G 5.0131 7.4268 122.8899 46.1218 0.0000 172.4569 83 A 4.5309 7.4059 120.7627 50.1209 22.3688 174.4648 84 N 4.7195 7.9771 116.3175 52.0644 40.6732 173.2167 85 Y 5.0047 8.2623 122.8486 55.9476 41.2031 175.0061 86 Q 4.0777 9.1738 123.9531 56.9936 29.4591 176.9871 87 V 4.2515 8.4346 125.4572 60.5998 31.8698 173.4350 88 P 4.8303 0.0000 0.0000 62.6958 32.5541 175.9508 89 M 4.5849 8.2646 116.2829 55.6433 34.0178 173.8993 90 E 3.8597 9.1409 118.9504 57.1487 30.1260 176.9220 91 V 4.4551 8.3002 125.1866 60.9953 33.6560 174.7148 92 S 4.8717 8.1891 119.8719 55.3086 65.7869 173.3018 93 P 4.2966 0.0000 0.0000 65.2116 30.7023 178.1798 94 R 3.8086 7.9948 118.1120 59.9694 30.0840 177.3255 95 R 4.2096 7.8756 116.8691 58.3147 30.4190 177.8693 96 Q 4.0012 7.7886 118.6442 59.0976 28.4793 179.2212 97 Q 3.9544 7.6770 116.7962 59.6173 28.8262 178.9745 98 S 4.2614 7.9405 117.0349 61.0799 63.1305 176.5723 99 L 4.0895 8.6921 121.5925 57.4456 41.1157 178.9429 100 A 4.2947 8.2730 119.7568 53.6598 18.2948 178.1605 101 L 4.1123 7.6576 116.3385 54.1933 42.5094 178.0763 102 R 3.7085 8.4459 120.5064 59.0311 29.9842 177.9457 103 W 4.3871 8.4695 119.2690 59.1566 28.9159 178.1068 104 L 3.9939 7.2313 117.7905 58.6735 41.4082 179.1395 105 V 3.7769 8.2666 117.8251 66.4353 31.1951 177.7242 106 Q 4.1860 8.0746 116.3325 59.3038 28.2307 177.7967 107 A 4.5451 8.5362 119.5780 52.1749 18.4248 177.2127 108 A 4.6680 8.3499 119.1245 52.0871 19.6105 176.2066 109 N 4.8775 7.3166 110.7988 55.3585 41.8942 176.2485 110 Q 4.3850 7.6893 123.9486 56.0442 27.0286 174.9180 111 R 4.6915 7.7685 119.4065 53.7574 34.2311 173.8924 112 P 5.0067 0.0000 0.0000 63.4043 32.4584 176.8377 113 E 4.8109 7.4782 119.5554 57.6825 29.7542 175.6401 114 R 4.6274 8.2063 127.8870 55.7212 31.7291 175.1981 115 R 4.0201 8.6504 122.2190 57.0817 31.9613 176.6475 116 A 3.9190 8.7155 120.5351 55.9105 18.2873 179.4967 117 A 4.2769 7.9122 119.2645 55.2626 18.3908 179.7355 118 V 3.5087 7.7605 115.4357 66.2166 31.4556 178.2476 119 R 3.9340 7.7520 116.4047 59.4142 30.1164 178.5840 120 I 3.7550 8.4224 119.5424 64.4964 37.1563 177.8548 121 A 4.2065 7.8723 120.6375 55.8811 18.0436 179.2504 122 H 4.4528 8.1309 109.2010 56.9147 28.6906 175.8478 123 E 4.6470 8.1597 121.4139 55.9343 31.9572 177.5090 124 L 3.9135 8.7254 119.0671 58.1943 41.9009 178.5643 125 M 4.1745 7.9879 117.0967 58.2910 32.0555 176.4920 126 D 4.8588 7.9750 118.6947 54.9305 41.2794 176.1694 127 A 4.7285 7.9418 117.5780 50.7827 19.5762 176.3524 128 A 4.5732 7.6591 122.1160 53.0392 22.4946 177.7679 129 E 3.8142 8.5155 117.9499 55.4817 31.4279 177.7515 130 G 4.9573 6.6592 125.5385 46.4994 0.0000 172.3074 131 K 4.5102 7.6553 116.8449 55.9366 35.7738 174.4229 132 G 4.1131 8.0961 111.9394 44.5165 0.0000 175.6900 133 G 4.0818 8.8588 111.2325 45.2258 0.0000 173.9807 134 A 4.1750 8.0627 121.2929 53.9773 17.9517 178.9946 135 V 3.3292 8.3555 119.3700 65.3749 32.1762 175.9257 136 K 3.7857 8.2293 118.1048 59.9545 31.8026 178.2401 137 K 4.9108 8.6807 119.9500 58.8122 32.1687 179.3885 138 K 3.6274 8.0937 119.5631 59.6082 32.4591 178.5384 139 E 4.7846 8.4496 120.3387 58.7265 29.2298 179.1093 140 D 4.3643 7.8550 119.0004 57.5537 41.0473 178.9073 141 V 3.6926 7.9019 118.3936 66.1699 31.4983 177.8825 142 E 4.0797 8.0704 117.9745 59.1532 29.1156 179.0314 143 R 4.1242 7.9275 116.7546 58.0457 31.0036 177.4274 144 M 4.4686 7.5847 119.6329 55.7922 30.7577 174.8797 145 A 4.5902 7.4799 127.8311 49.6440 21.5949 177.4604 146 E 3.6414 9.4465 117.8691 59.1218 27.9615 175.5258 147 A 4.5127 8.8964 123.1431 52.9388 19.5141 179.3329 148 N 4.2586 8.2178 116.7206 55.5579 43.9811 177.1792 149 R 3.7782 7.6840 116.6754 58.4793 30.2251 177.1280 150 A 4.0329 7.3116 119.2218 54.9246 18.7880 177.7099 151 Y 4.6578 7.2795 116.2896 57.3728 36.2321 174.3017 152 A 4.5141 7.5227 123.7370 53.8763 21.6818 177.5370 153 H 4.2152 8.4699 109.7338 58.6950 28.6617 175.2167 154 Y 4.2682 7.3191 118.5897 58.0508 36.8664 175.0550 155 R 4.4437 8.2366 123.9261 54.6488 32.7184 176.5824 156 W 3.9860 7.9320 121.1905 57.2260 29.1285 173.8488 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 2 A 8.26 4.40 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 3 R 8.35 4.52 0.00 1.80 1.89 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 4 R 9.03 4.08 0.00 1.79 2.01 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 5 R 7.51 4.68 0.00 1.72 1.76 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 6 R 8.57 4.19 0.00 1.75 1.92 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 7 A 7.85 3.67 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 8 E 8.44 4.47 0.00 1.91 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 0.00 2.21 2.28 0.00 9 V 8.44 3.61 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 0.94 0.00 0.00 10 R 8.30 4.39 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 11 Q 8.65 4.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 12 L 8.47 3.99 0.00 1.62 1.62 1.00 1.01 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 13 Q 8.52 4.00 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 14 P 0.00 4.27 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 15 D 8.31 4.59 0.00 2.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.29 4.44 0.00 1.66 1.66 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.06 3.75 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.08 0.00 0.00 18 Y 7.70 4.37 0.00 3.11 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 19 G 8.50 4.20 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 0.00 20 D 7.74 4.37 0.00 2.69 2.51 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 21 V 8.25 3.65 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 0.83 0.00 0.00 0.95 0.00 0.00 22 L 8.05 4.04 0.00 1.77 1.71 1.10 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.09 3.77 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 0.90 0.00 0.00 0.93 0.00 0.00 24 T 7.66 3.83 4.20 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 1.15 0.00 0.00 25 A 8.28 4.01 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 26 F 8.64 4.51 0.00 3.09 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 27 I 7.42 3.59 1.84 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.72 0.00 0.00 28 N 7.96 4.28 0.00 3.05 2.91 0.00 0.00 7.07 7.30 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 29 K 7.14 4.20 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.74 7.81 30 I 7.64 3.62 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 -0.36 0.85 0.00 0.00 31 M 7.61 4.28 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 32 R 7.66 3.92 0.00 1.95 1.90 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 33 D 8.80 4.70 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 6.77 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 0.00 0.00 0.00 35 K 7.41 4.31 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.40 7.81 36 K 8.67 4.09 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 37 N 7.97 4.52 0.00 2.82 2.77 0.00 0.00 6.67 6.54 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 38 L 7.80 3.82 0.00 1.77 1.84 0.94 1.12 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 39 A 8.09 4.05 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 40 A 7.73 4.47 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.54 4.61 0.00 2.06 1.91 0.00 3.08 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.85 0.00 42 I 7.79 4.18 1.98 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 1.36 0.81 0.89 0.00 0.00 43 F 8.54 4.56 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.56 4.70 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.75 4.82 0.00 2.79 2.90 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 46 A 8.33 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.96 3.94 0.00 3.17 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 48 K 8.09 4.08 0.00 2.00 2.08 0.00 1.94 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.59 7.81 49 I 7.63 3.68 2.10 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.90 0.00 0.00 50 I 7.21 3.74 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 1.00 0.00 0.00 51 Q 8.00 3.94 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 52 E 8.51 4.23 0.00 2.18 1.52 0.00 0.00 0.00 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 2.46 0.00 53 K 5.66 4.48 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 54 T 7.58 4.15 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 55 G 8.78 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 0.00 0.00 0.00 56 Q 7.85 4.69 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 57 E 8.46 4.26 0.00 2.05 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 2.42 2.31 0.00 58 P 0.00 4.26 0.00 2.26 2.48 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 59 L 8.08 4.13 0.00 1.71 1.81 1.01 0.63 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 60 K 7.88 4.23 0.00 2.01 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.60 7.81 61 V 7.80 4.14 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 0.73 0.00 0.00 0.98 0.00 0.00 62 F 8.07 4.79 0.00 3.07 2.35 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 63 K 9.20 4.26 0.00 1.87 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 0.55 7.81 64 Q 8.43 3.99 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 65 A 7.87 3.87 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 66 V 7.64 3.45 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 0.83 0.00 0.00 0.84 0.00 0.00 67 E 7.70 4.01 0.00 1.98 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 0.00 2.29 2.35 0.00 68 N 7.65 4.53 0.00 2.56 2.69 0.00 0.00 6.86 9.02 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 69 V 7.36 4.07 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 0.73 0.00 0.00 0.82 0.00 0.00 70 K 7.50 4.49 0.00 1.72 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 71 P 0.00 4.60 0.00 2.22 2.07 0.00 3.75 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 72 R 8.48 4.55 0.00 1.78 1.96 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 73 M 7.48 4.93 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 74 E 8.21 4.66 0.00 2.07 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 2.20 2.30 0.00 75 V 8.29 4.33 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 0.86 0.00 0.00 0.94 0.00 0.00 76 R 8.08 4.52 0.00 2.05 1.83 0.00 3.49 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 77 S 8.12 4.61 0.00 3.78 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 78 R 8.05 4.38 0.00 1.74 1.70 0.00 3.52 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 79 R 8.39 4.51 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 80 V 7.79 4.30 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 0.87 0.00 0.00 0.98 0.00 0.00 81 G 7.39 4.92 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 82 G 7.43 5.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.41 4.53 0.96 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 0.00 0.00 84 N 7.98 4.72 0.00 2.54 2.54 0.00 0.00 6.72 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 85 Y 8.26 5.00 0.00 2.97 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 86 Q 9.17 4.08 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 87 V 8.43 4.25 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 0.31 0.00 0.00 0.68 0.00 0.00 88 P 0.00 4.83 0.00 2.23 2.29 0.00 4.32 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 89 M 8.26 4.58 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 90 E 9.14 3.86 0.00 2.01 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 0.00 2.35 2.37 0.00 91 V 8.30 4.46 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 0.94 0.00 0.00 1.08 0.00 0.00 92 S 8.19 4.87 0.00 4.01 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 93 P 0.00 4.30 0.00 2.29 2.36 0.00 3.75 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 2.03 0.00 94 R 7.99 3.81 0.00 1.81 2.05 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 95 R 7.88 4.21 0.00 1.93 1.92 0.00 3.28 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 96 Q 7.79 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 97 Q 7.68 3.95 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 98 S 7.94 4.26 0.00 3.91 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 99 L 8.69 4.09 0.00 1.75 1.85 0.98 1.09 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 0.00 100 A 8.27 4.29 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 0.00 101 L 7.66 4.11 0.00 1.21 0.13 1.04 0.38 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 0.00 102 R 8.45 3.71 0.00 1.84 1.81 0.00 2.62 0.00 0.00 2.80 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 103 W 8.47 4.39 0.00 3.38 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 0.00 104 L 7.23 3.99 0.00 1.47 1.83 0.36 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.27 3.78 2.22 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 0.98 0.00 0.00 1.33 0.00 0.00 106 Q 8.07 4.19 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 107 A 8.54 4.55 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.67 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 0.00 109 N 7.32 4.88 0.00 2.74 2.71 0.00 0.00 6.92 6.98 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 0.00 110 Q 7.69 4.39 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 111 R 7.77 4.69 0.00 1.82 1.77 0.00 3.18 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 112 P 0.00 5.01 0.00 2.18 2.14 0.00 3.73 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 1.99 1.98 0.00 113 E 7.48 4.81 0.00 1.97 1.53 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 2.28 2.48 0.00 114 R 8.21 4.63 0.00 1.75 1.69 0.00 3.24 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 115 R 8.65 4.02 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 116 A 8.72 3.92 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 0.00 117 A 7.91 4.28 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 0.00 118 V 7.76 3.51 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 1.10 0.00 0.00 0.92 0.00 0.00 119 R 7.75 3.93 0.00 1.98 2.00 0.00 3.25 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 120 I 8.42 3.76 1.97 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 1.37 1.07 0.82 0.00 0.00 121 A 7.87 4.21 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 0.00 122 H 8.13 4.45 0.00 3.32 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.16 4.65 0.00 2.29 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 0.00 2.35 2.27 0.00 124 L 8.73 3.91 0.00 1.61 1.72 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.99 4.17 0.00 2.06 2.07 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 2.67 2.57 0.00 126 D 7.97 4.86 0.00 3.02 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 0.00 127 A 7.94 4.73 1.27 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 0.00 0.00 128 A 7.66 4.57 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.52 3.81 0.00 1.95 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 2.30 2.25 0.00 130 G 6.66 4.96 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 0.00 0.00 0.00 131 K 7.66 4.51 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.26 1.37 7.81 132 G 8.10 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 0.00 0.00 0.00 133 G 8.86 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 0.00 134 A 8.06 4.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.36 3.33 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 0.99 0.00 0.00 0.79 0.00 0.00 136 K 8.23 3.79 0.00 1.93 1.74 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.60 7.81 137 K 8.68 4.91 0.00 2.77 2.26 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 138 K 8.09 3.63 0.00 0.79 1.44 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.05 7.81 139 E 8.45 4.78 0.00 2.10 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 2.26 2.24 0.00 140 D 7.85 4.36 0.00 2.99 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 0.00 141 V 7.90 3.69 2.39 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 1.16 0.00 0.00 1.31 0.00 0.00 142 E 8.07 4.08 0.00 2.22 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 2.31 2.65 0.00 143 R 7.93 4.12 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 144 M 7.58 4.47 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.93 0.00 145 A 7.48 4.59 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 0.00 146 E 9.45 3.64 0.00 2.10 1.71 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 2.26 2.19 0.00 147 A 8.90 4.51 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.22 4.26 0.00 2.72 2.81 0.00 0.00 6.69 7.40 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 0.00 149 R 7.68 3.78 0.00 1.79 1.96 0.00 3.19 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 150 A 7.31 4.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.28 4.66 0.00 3.33 2.89 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 0.00 152 A 7.52 4.51 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 0.00 153 H 8.47 4.22 0.00 3.26 3.38 0.00 5.53 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 0.00 154 Y 7.32 4.27 0.00 2.58 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 0.00 155 R 8.24 4.44 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 156 W 7.93 3.99 0.00 3.59 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