NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4333 8.1776 115.2893 58.0577 63.4793 174.5939 6 S 4.0790 8.5894 121.2897 60.4602 63.3882 174.5167 7 T 4.0592 7.8666 118.3285 65.3992 68.9201 177.4680 8 K 3.7814 7.6497 122.6410 59.7769 32.1600 178.3473 9 K 3.8855 8.0719 118.8489 59.8539 31.9773 178.6841 10 T 3.9646 7.8139 115.6170 66.3554 68.4448 176.6031 11 Q 3.9748 8.2562 120.3178 59.0602 28.7451 178.9704 12 L 3.9885 8.1018 119.9218 58.0657 41.6821 179.6961 13 Q 4.0365 7.9451 117.3839 59.0262 28.6123 178.9572 14 L 4.0847 8.3859 120.4305 57.5444 41.5063 179.1626 15 E 3.9619 8.3889 119.7436 59.2894 29.5117 178.2989 16 H 4.0614 8.6384 118.8136 59.1613 29.9877 177.0013 17 L 3.9819 7.9779 122.1716 58.0283 41.9516 178.5458 18 L 4.0015 7.9577 120.2850 58.2982 41.9360 179.0342 19 L 4.0158 8.2407 119.0945 57.8746 41.4068 179.1846 20 D 4.3769 8.2984 118.9445 57.5177 40.8038 178.9712 21 L 4.0735 8.1410 119.4216 57.6055 41.4968 179.3298 22 Q 3.9908 8.1761 119.7751 59.2127 28.9919 177.9698 23 M 4.0746 8.3782 120.1239 58.5553 32.0557 178.7795 24 I 3.7091 7.5440 119.5707 64.2794 37.3692 178.0040 25 L 3.8706 7.8832 120.9917 58.5683 41.6757 178.7709 26 N 4.5137 8.2500 115.0214 56.3016 38.5509 177.1804 27 G 3.8792 7.9656 105.5777 46.4786 0.0000 175.4132 28 I 3.8558 7.2233 121.0561 62.5825 39.2071 176.5432 29 N 4.6394 8.0763 119.4235 51.9800 37.2679 173.1484 30 N 5.1621 7.4696 119.2630 51.1735 42.8812 174.5366 31 Y 4.2282 8.6261 120.5535 59.6000 38.3634 177.0332 32 K 3.7208 7.4254 118.3330 57.0854 32.3858 176.4175 33 N 4.4448 7.4437 118.9560 52.7183 38.6930 173.0939 34 P 4.4354 0.0000 0.0000 64.6896 31.9509 177.2868 35 K 4.6092 8.1387 117.7316 56.0863 32.6929 178.5054 36 L 3.9435 8.1254 122.2865 58.6057 41.8354 178.1594 37 T 3.9298 7.8278 113.6575 66.9877 68.8202 176.3996 38 R 4.1050 7.9337 119.3187 59.3139 30.0604 178.5216 39 M 4.0994 8.1959 118.1300 58.6391 32.0157 177.9151 40 L 4.2787 7.5840 117.4018 56.7170 41.9578 178.7580 41 T 4.1202 7.6615 109.3836 62.7855 69.1844 174.8132 42 F 3.8545 7.5290 125.0455 57.8959 39.8843 174.0041 43 K 4.6697 7.6961 127.2835 55.1099 33.4588 175.7932 44 F 4.8043 9.1397 123.7102 55.6497 42.2715 174.3421 45 Y 4.8256 9.5616 121.0466 58.2924 38.2857 175.1296 46 M 5.0136 9.0390 124.0858 53.2170 34.6716 173.8648 47 P 4.8474 0.0000 0.0000 62.8718 32.0974 176.5980 48 K 4.2001 8.8524 122.2623 58.9154 32.5117 177.9141 49 K 4.4394 7.7984 116.9168 54.5229 35.6072 176.3534 50 A 4.7079 8.3288 124.8097 51.4099 18.6577 175.6209 51 T 4.6903 8.0510 108.9728 60.6335 71.5282 174.5896 52 E 4.8598 8.1358 120.6755 53.5644 33.6622 176.3418 53 L 4.3189 8.5769 120.9095 57.8955 41.6691 179.7864 54 K 4.0207 7.9150 117.7196 59.4433 32.4103 177.7737 55 H 4.6922 8.0466 116.7589 56.8658 28.8941 176.7850 56 L 3.7705 8.0933 121.9430 56.8941 41.3374 178.6612 57 Q 4.1208 7.7110 118.8031 59.4481 28.6255 177.7801 58 C 4.4400 8.0166 116.8880 59.6847 41.7296 175.6088 59 L 3.5646 7.0214 121.4333 57.8092 41.7576 178.0475 60 E 3.8548 8.2871 120.0971 59.4989 29.4821 178.5769 61 E 4.3050 8.3212 115.1818 58.0549 29.9137 177.2656 62 E 4.7890 8.3577 118.1036 56.1624 30.3514 177.7808 63 L 4.2034 7.9592 121.4697 57.2467 41.5066 179.5825 64 K 3.9769 8.0037 118.3895 59.1330 32.1809 177.3099 65 P 4.1892 0.0000 0.0000 65.2838 31.1222 178.2929 66 L 4.0346 7.8770 118.7079 58.3773 42.0808 178.7077 67 E 3.9376 8.2318 119.0829 59.1978 29.5872 178.4055 68 E 3.8731 8.0168 119.4571 59.1807 29.7183 179.0548 69 V 3.3260 7.5713 118.2629 65.8452 31.3491 177.9470 70 L 4.0633 7.9685 117.9950 58.0344 41.9208 179.0325 71 N 4.5241 8.3271 116.3682 56.1976 38.2505 177.3295 72 L 4.2495 7.7283 118.7716 56.5103 41.8226 178.0756 73 A 4.6479 7.5542 119.1246 50.6193 19.1051 176.5540 74 Q 4.2420 7.2242 120.1295 56.9665 30.2865 174.4039 75 S 4.2910 8.0069 124.7419 57.8030 66.6714 175.4019 76 K 4.5666 8.7451 119.4910 55.0819 34.1490 173.5549 77 N 4.5448 9.2244 124.9433 53.4597 37.2062 173.8627 78 F 4.9781 8.2828 119.7902 56.6854 41.5221 174.4371 79 H 4.4830 8.0142 123.6041 56.3746 31.3329 174.6483 80 L 3.8473 7.0085 120.3188 54.8916 42.2879 178.1386 81 R 4.0035 8.3220 124.1819 57.8997 30.3061 175.5894 82 P 4.5488 0.0000 0.0000 64.5558 31.4367 178.8263 83 R 3.9306 7.9334 117.3308 59.4122 30.0714 178.1506 84 D 4.3882 8.0081 118.4233 56.9272 40.8506 178.3129 85 L 3.9791 7.8342 120.5680 58.3010 42.1408 179.1902 86 I 3.7843 7.9625 119.8507 64.1299 37.0078 178.1645 87 S 4.0692 8.0342 114.1015 61.5881 62.2168 175.9260 88 N 4.3156 8.1301 118.8685 56.5446 38.2592 177.4099 89 I 3.7015 7.5555 120.6840 64.5088 37.2397 178.0886 90 N 4.2680 8.6407 118.2779 56.5135 38.7133 177.1159 91 V 3.6024 7.9915 119.8868 65.9450 31.6564 178.1798 92 I 3.8626 7.7234 119.5581 64.3459 36.9084 178.4886 93 V 3.5812 7.9764 119.2885 66.1903 31.4784 178.1462 94 L 4.0939 8.0747 118.4685 57.6131 41.1782 179.3134 95 E 4.0327 7.7623 117.7460 59.1507 29.4033 178.8703 96 L 4.2433 7.8168 118.5362 56.5483 42.0067 178.4351 97 K 4.4675 7.9807 115.9773 56.0306 33.9359 177.0380 98 G 3.9326 8.0831 107.2578 45.0020 0.0000 172.6233 99 S 4.6785 8.2202 110.7401 58.5842 65.0732 175.4146 100 E 3.9741 8.3787 118.4807 59.0357 29.4776 177.0418 101 T 4.3000 7.8145 117.2677 62.0713 68.8301 173.9152 102 T 4.7220 8.1359 116.7548 59.7522 71.0308 173.8874 103 F 4.6820 8.2913 121.1343 55.7716 42.9467 174.0031 104 M 4.2385 8.7285 123.9699 55.0466 32.6216 176.0477 105 C 4.4021 8.5772 126.6249 55.7905 45.5119 172.0949 106 E 4.3816 8.4404 126.5682 55.8148 30.4919 174.8270 107 Y 5.2295 8.3585 121.8213 56.0879 40.0326 175.6452 108 A 4.2681 8.9599 124.9939 52.0785 18.8244 177.8138 109 D 4.4785 8.8803 119.3057 56.5674 41.3074 177.0701 110 E 4.6107 7.9548 117.5392 54.7931 31.1744 175.8211 111 T 4.6735 8.2022 112.9679 61.3812 71.1218 172.5171 112 A 4.8746 8.5869 122.2758 50.8181 23.5785 175.7525 113 T 4.6082 8.5828 110.2579 61.1105 70.3034 175.9887 114 I 3.2571 8.6106 120.7477 63.7595 37.7192 177.9711 115 V 3.5622 7.6984 118.8759 66.1671 31.4942 177.7936 116 E 3.9713 7.9614 118.2383 59.0568 28.8670 179.0785 117 F 4.1431 8.2931 120.8235 61.4700 39.5067 177.2799 118 L 3.9489 8.1682 118.5382 57.8314 41.3300 179.3106 119 N 4.3493 8.3927 116.6556 56.1593 38.4548 177.3309 120 R 3.6906 8.0946 120.4147 59.2933 30.0979 178.6153 121 W 4.3829 7.5480 118.0435 59.2635 29.1330 178.7252 122 I 3.7761 7.9001 120.0074 64.9126 36.6028 178.4991 123 T 3.8816 8.2518 116.8007 66.4404 68.2157 176.3674 124 F 4.1102 8.1901 122.5496 61.5927 39.4591 176.9096 125 C 3.9540 8.3684 116.1383 62.8601 27.9261 176.0116 126 Q 3.9197 7.9026 119.2901 59.1708 28.2829 178.9693 127 S 4.0281 8.2923 114.2526 61.5594 62.3495 176.4161 128 I 3.7755 7.3976 123.5766 63.7508 36.6037 178.2328 129 I 3.6237 7.7988 119.9548 64.5033 37.1749 177.9713 130 S 4.2196 8.4267 114.3676 61.6483 62.0997 176.3989 131 T 3.9323 7.7326 112.4250 64.1227 68.2162 175.3513 132 L 4.6505 7.4843 120.4131 55.8819 41.2092 176.9720 133 T 4.2342 7.5198 119.1948 62.8898 67.4681 173.7637 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 5 S 8.18 4.43 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.59 4.08 0.00 4.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.87 4.06 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 1.24 0.00 0.00 8 K 7.65 3.78 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 9 K 8.07 3.89 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 10 T 7.81 3.96 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 1.21 0.00 0.00 11 Q 8.26 3.97 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 12 L 8.10 3.99 0.00 1.68 1.73 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.95 4.04 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 14 L 8.39 4.08 0.00 1.89 1.70 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.39 3.96 0.00 2.17 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 2.31 2.36 0.00 16 H 8.64 4.06 0.00 3.38 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.98 3.98 0.00 1.87 1.71 0.92 0.65 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 18 L 7.96 4.00 0.00 1.93 1.94 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.24 4.02 0.00 1.88 1.66 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.30 4.38 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.14 4.07 0.00 1.87 1.74 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.18 3.99 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 23 M 8.38 4.07 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 24 I 7.54 3.71 2.02 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 1.60 0.87 0.83 0.00 0.00 25 L 7.88 3.87 0.00 1.82 1.73 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.25 4.51 0.00 2.96 2.90 0.00 0.00 7.10 8.51 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 27 G 7.97 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.22 3.86 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.20 0.80 0.00 0.00 29 N 8.08 4.64 0.00 2.58 2.80 0.00 0.00 7.00 7.83 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 30 N 7.47 5.16 0.00 2.67 2.50 0.00 0.00 6.81 7.56 0.00 0.00 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 Y 8.63 4.23 0.00 3.09 3.08 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 32 K 7.43 3.72 0.00 1.56 1.64 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.56 0.21 7.81 33 N 7.44 4.44 0.00 2.60 2.86 0.00 0.00 7.17 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 34 P 0.00 4.44 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 35 K 8.14 4.61 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.51 7.81 36 L 8.13 3.94 0.00 1.90 1.68 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.83 3.93 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 38 R 7.93 4.11 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 39 M 8.20 4.10 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 40 L 7.58 4.28 0.00 1.68 1.75 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.66 4.12 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 1.29 0.00 0.00 42 F 7.53 3.85 0.00 3.02 2.97 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 43 K 7.70 4.67 0.00 1.30 1.50 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.23 7.81 44 F 9.14 4.80 0.00 3.10 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 45 Y 9.56 4.83 0.00 3.00 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 46 M 9.04 5.01 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 47 P 0.00 4.85 0.00 2.05 2.05 0.00 3.60 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 1.53 1.09 0.00 48 K 8.85 4.20 0.00 1.73 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.51 7.81 49 K 7.80 4.44 0.00 1.54 1.43 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.34 7.81 50 A 8.33 4.71 0.88 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 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.05 4.69 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 1.23 0.00 0.00 52 E 8.14 4.86 0.00 1.70 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 2.25 2.31 0.00 53 L 8.58 4.32 0.00 1.72 1.79 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.91 4.02 0.00 1.51 1.81 0.00 1.11 0.00 0.00 1.61 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.60 7.81 55 H 8.05 4.69 0.00 3.35 3.32 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 56 L 8.09 3.77 0.00 1.82 1.62 1.13 0.71 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 57 Q 7.71 4.12 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 58 C 8.02 4.44 0.00 3.64 3.54 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 59 L 7.02 3.56 0.00 0.27 0.83 0.10 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.29 3.85 0.00 1.97 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 0.00 2.33 2.37 0.00 61 E 8.32 4.31 0.00 2.37 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 0.00 2.45 2.36 0.00 62 E 8.36 4.79 0.00 2.60 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 2.62 3.07 0.00 63 L 7.96 4.20 0.00 1.86 1.74 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.00 3.98 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.50 7.81 65 P 0.00 4.19 0.00 2.04 2.07 0.00 3.74 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 2.37 2.17 0.00 66 L 7.88 4.03 0.00 2.02 1.94 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.23 3.94 0.00 2.25 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 2.47 2.34 0.00 68 E 8.02 3.87 0.00 2.18 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 2.28 2.31 0.00 69 V 7.57 3.33 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 0.89 0.00 0.00 -0.06 0.00 0.00 70 L 7.97 4.06 0.00 1.85 1.90 1.03 0.97 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 71 N 8.33 4.52 0.00 3.05 2.87 0.00 0.00 7.05 6.03 0.00 0.00 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 L 7.73 4.25 0.00 1.77 1.73 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.55 4.65 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.22 4.24 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 75 S 8.01 4.29 0.00 3.80 3.21 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 76 K 8.75 4.57 0.00 1.73 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.44 7.81 77 N 9.22 4.54 0.00 2.73 3.20 0.00 0.00 6.88 7.02 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 78 F 8.28 4.98 0.00 3.20 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 79 H 8.01 4.48 0.00 2.98 3.14 0.00 5.78 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 80 L 7.01 3.85 0.00 1.26 1.45 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.32 4.00 0.00 1.82 1.83 0.00 3.25 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 82 P 0.00 4.55 0.00 2.29 2.18 0.00 3.55 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 2.23 2.28 0.00 83 R 7.93 3.93 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 84 D 8.01 4.39 0.00 2.86 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 85 L 7.83 3.98 0.00 2.03 1.72 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.96 3.78 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 1.71 0.71 0.93 0.00 0.00 87 S 8.03 4.07 0.00 3.97 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 88 N 8.13 4.32 0.00 3.07 3.06 0.00 0.00 7.11 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 89 I 7.56 3.70 2.02 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 1.43 0.72 0.88 0.00 0.00 90 N 8.64 4.27 0.00 2.94 2.81 0.00 0.00 6.89 7.49 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 91 V 7.99 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.95 0.00 0.00 92 I 7.72 3.86 2.01 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 1.55 1.03 0.98 0.00 0.00 93 V 7.98 3.58 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 0.98 0.00 0.00 0.85 0.00 0.00 94 L 8.07 4.09 0.00 1.75 1.70 0.92 0.71 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 95 E 7.76 4.03 0.00 2.20 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 2.34 2.41 0.00 96 L 7.82 4.24 0.00 1.84 1.77 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.98 4.47 0.00 1.92 1.95 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.45 7.81 98 G 8.08 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 0.00 0.00 0.00 99 S 8.22 4.68 0.00 3.95 3.96 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 0.00 100 E 8.38 3.97 0.00 2.10 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 2.29 2.35 0.00 101 T 7.81 4.30 4.37 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 1.36 0.00 0.00 102 T 8.14 4.72 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 1.18 0.00 0.00 103 F 8.29 4.68 0.00 3.00 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 0.00 104 M 8.73 4.24 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 105 C 8.58 4.40 0.00 2.84 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 0.00 106 E 8.44 4.38 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 107 Y 8.36 5.23 0.00 2.79 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 0.00 108 A 8.96 4.27 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 0.00 109 D 8.88 4.48 0.00 2.72 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 0.00 110 E 7.95 4.61 0.00 1.98 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 2.26 2.24 0.00 111 T 8.20 4.67 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 1.03 0.00 0.00 112 A 8.59 4.87 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 0.00 113 T 8.58 4.61 4.33 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 1.35 0.00 0.00 114 I 8.61 3.26 1.96 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 1.42 1.08 0.92 0.00 0.00 115 V 7.70 3.56 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 1.15 0.00 0.00 0.98 0.00 0.00 116 E 7.96 3.97 0.00 2.15 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 0.00 117 F 8.29 4.14 0.00 3.13 2.97 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 0.00 118 L 8.17 3.95 0.00 1.82 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.39 4.35 0.00 2.83 2.84 0.00 0.00 6.64 7.37 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 0.00 120 R 8.09 3.69 0.00 1.79 1.58 0.00 2.89 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.87 0.00 121 W 7.55 4.38 0.00 3.23 3.08 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 0.00 122 I 7.90 3.78 2.10 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 1.55 1.15 0.93 0.00 0.00 123 T 8.25 3.88 4.35 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 1.19 0.00 0.00 124 F 8.19 4.11 0.00 3.09 3.31 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 0.00 125 C 8.37 3.95 0.00 3.21 3.11 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 0.00 126 Q 7.90 3.92 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 127 S 8.29 4.03 0.00 3.85 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 0.00 128 I 7.40 3.78 1.57 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.05 0.78 0.00 0.00 129 I 7.80 3.62 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.42 0.88 0.00 0.00 130 S 8.43 4.22 0.00 3.91 3.96 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 0.00 131 T 7.73 3.93 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 1.17 0.00 0.00 132 L 7.48 4.65 0.00 1.80 1.76 0.90 0.89 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 0.00 133 T 7.52 4.23 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00