NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2173 8.3344 116.7760 57.7444 65.4416 172.7736 5 V 3.7337 7.4622 123.3646 61.1829 32.0992 170.7112 6 V 4.2299 8.9804 128.4322 61.5103 33.7399 174.4603 7 K 4.7391 8.1295 123.9597 54.3332 35.5022 176.3928 8 S 4.3435 8.8749 117.9486 62.2034 62.7855 176.9301 9 E 4.1329 8.2171 112.7174 57.1787 29.0331 176.6087 10 D 4.7304 7.9745 118.0263 54.4076 41.3931 177.7189 11 Y 4.1355 7.7851 118.8411 59.9093 37.8298 177.3780 12 A 4.1309 6.9725 120.9957 53.1527 18.8532 176.8156 13 L 4.7158 7.2059 115.4878 51.7243 43.8753 174.7966 14 P 4.2937 0.0000 0.0000 63.0348 31.6915 175.9436 15 S 4.8297 8.3804 115.7976 56.4923 65.9377 172.2103 16 Y 4.5746 8.2993 120.9470 56.3286 39.8352 174.8998 17 V 4.2712 6.7694 117.7622 59.8628 35.6701 174.6586 18 D 4.6384 8.4756 123.6765 52.6673 40.9916 175.7573 19 R 4.5062 7.8378 123.7074 54.0656 33.2998 175.8836 20 R 3.4052 8.7238 124.4700 59.2393 30.1360 177.0767 21 D 4.8126 7.9663 113.8770 53.4758 39.0704 176.3894 22 Y 4.7497 7.9045 120.5646 55.4399 39.0532 173.3594 23 P 4.4742 0.0000 0.0000 65.2491 31.7061 177.0691 24 L 4.7061 6.7457 116.9210 51.4692 41.1466 174.3436 25 P 4.6575 0.0000 0.0000 62.2983 32.0202 176.7779 26 D 4.5739 8.7537 119.3544 56.7788 40.9885 177.1783 27 V 4.5409 7.4425 109.5608 58.9971 35.5202 174.9166 28 A 4.2297 8.2794 124.1324 51.8024 19.2289 177.3197 29 H 3.7567 8.6211 121.5811 58.2899 29.9237 175.9837 30 V 4.2192 7.7539 118.8374 60.7901 33.0073 174.7642 31 K 4.2337 8.6146 126.1415 57.7316 33.8242 176.3717 32 N 4.7025 7.9468 117.0272 51.7740 39.3626 174.0954 33 L 4.6954 8.1850 123.2485 52.6957 44.2866 177.2189 34 S 4.4729 8.2595 117.2478 57.3287 65.6328 175.0463 35 A 3.9738 8.4377 122.6569 55.4183 17.9570 179.8375 36 S 4.0673 7.9772 112.1677 61.8024 63.1843 176.5328 37 Q 3.9708 7.8682 121.8457 58.5613 28.4314 178.9928 38 K 4.0235 8.3850 119.3286 59.1357 32.0095 179.3570 39 A 4.0127 7.7677 121.1538 54.9470 18.2953 179.4426 40 L 3.9433 8.0754 119.0415 58.2853 41.9892 179.4015 41 K 4.0723 8.0235 117.2450 59.1792 32.2268 178.8663 42 E 4.1706 7.9796 118.9796 59.0558 29.4076 179.0274 43 K 4.0442 8.1734 119.7662 59.2542 32.0346 178.3591 44 E 4.2121 8.1545 118.6619 58.5801 29.5996 178.3159 45 K 4.2439 7.9046 116.9349 57.7331 32.4236 176.6689 46 A 4.4481 7.6203 122.2562 50.0548 20.5205 176.4861 47 S 4.0072 8.3692 112.7987 58.8419 62.9154 175.2735 48 W 4.6297 8.5152 125.9098 59.1613 29.3089 178.7057 49 S 4.2802 7.7891 114.4826 61.4299 62.2804 175.3708 50 S 4.4481 7.7526 114.1073 59.0731 62.8773 174.0742 51 L 4.5829 7.5046 121.5348 53.8943 42.4542 177.4656 52 S 4.5446 9.5994 118.8640 57.4762 65.4621 175.4793 53 I 3.6634 8.2677 123.7558 65.1009 36.9181 178.4097 54 D 4.3551 8.1281 118.6992 57.3873 40.6033 178.6802 55 E 4.0391 7.9326 119.4013 59.0899 29.4640 179.4237 56 K 3.9506 8.2778 118.9868 59.5256 32.0924 179.6723 57 V 3.6616 8.0980 118.7527 65.7919 31.1608 177.7112 58 E 3.9657 7.9593 118.6845 59.0433 29.6085 178.4862 59 L 4.1179 7.9409 119.1867 57.9156 41.7478 178.8268 60 Y 4.0913 8.2047 119.4626 60.7894 38.6190 177.8962 61 R 4.6328 8.1433 117.9044 57.3035 30.4511 178.3534 62 L 4.1255 7.5477 120.0348 57.1735 41.7098 179.0184 63 K 3.5857 7.6739 118.9536 57.7962 32.4807 176.3338 64 F 5.1332 7.4637 117.2619 55.3563 41.1530 175.5415 65 K 3.6140 7.9796 124.5519 57.3395 32.5532 176.4825 66 E 4.9338 8.5956 119.7561 54.4175 32.2833 176.9039 67 S 5.1721 8.9153 118.8788 56.7813 65.8848 175.5401 68 F 3.8919 8.8911 119.4672 60.6830 38.3695 177.6609 69 A 4.0610 8.0945 118.5450 55.3032 17.9737 179.1042 70 E 4.1091 8.1942 116.8705 59.7327 29.3615 179.4975 71 M 4.3001 8.1841 116.2114 57.8604 31.3509 177.3192 72 N 4.7408 7.9185 115.4062 51.8822 39.3137 175.3501 73 R 4.0685 7.1064 117.5478 55.9753 30.1101 176.8624 74 S 4.5275 8.4004 115.8931 57.9363 64.2889 172.3349 75 T 4.7545 8.0278 109.9183 60.4732 71.9104 173.1802 76 N 4.8164 8.4636 115.4495 53.2801 38.9893 176.7482 77 E 3.9469 8.2808 122.6588 59.1646 29.4703 178.8167 78 W 4.3830 8.4394 116.2719 59.6003 27.8230 178.3083 79 K 3.1596 6.7542 118.5147 59.3330 31.3112 179.4297 80 T 3.7785 7.5563 115.4073 66.4226 68.3623 176.7758 81 V 3.5991 7.8484 120.0903 66.0802 31.6847 178.2411 82 V 3.7706 8.3505 118.4820 66.0306 31.4184 178.2317 83 G 3.6097 8.4313 105.5598 47.7770 0.0000 175.5840 84 A 4.1464 8.4858 123.4077 54.6963 18.4100 179.5084 85 A 4.1399 8.3860 119.4825 55.9114 18.5099 179.8960 86 M 4.1182 8.3037 117.0774 58.2466 31.8881 178.8648 87 F 4.0426 8.1987 121.0774 61.3871 39.5744 177.3262 88 F 3.9752 8.4283 117.3736 60.3649 38.4496 177.8387 89 I 3.9909 7.9690 119.1776 63.9738 37.2719 178.4099 90 G 3.6191 8.0854 106.9669 47.7066 0.0000 175.5146 91 F 3.9733 8.0589 123.6971 61.2564 39.2371 177.3005 92 T 3.7182 7.9273 115.1954 66.5252 68.2692 176.3928 93 A 4.0374 7.7708 122.0095 54.8516 18.2672 179.7485 94 L 3.8951 7.4966 117.8829 57.8600 41.5835 179.5412 95 L 3.8852 7.3098 118.4604 57.7543 41.6025 179.4350 96 L 4.0591 8.0054 118.9592 57.6557 41.5211 179.6718 97 I 3.7635 7.8561 120.0018 64.0135 37.0836 178.1810 98 W 4.2070 8.4210 129.3120 60.3868 30.5147 177.5575 99 E 3.8825 8.7078 119.3600 59.3203 28.9248 178.6545 100 K 4.1028 7.8985 118.1387 59.7723 32.2627 177.9315 101 H 4.0326 8.0414 117.5528 58.9776 29.9386 176.1187 102 Y 4.1565 7.7595 116.2070 58.0643 38.3965 176.6586 103 V 3.9603 7.4586 118.4526 64.3845 32.7703 175.8045 104 Y 4.5673 7.5573 116.3198 57.7609 38.4906 175.8691 105 G 4.0762 8.3508 113.8315 43.5120 0.0000 171.3198 106 P 4.3713 0.0000 0.0000 62.2425 32.0310 176.0242 107 I 4.0271 7.7810 113.7326 59.1130 39.1323 173.7260 108 P 4.3547 0.0000 0.0000 62.6917 31.7463 177.5875 109 H 4.2842 8.4651 116.0919 58.1805 28.4954 177.1121 110 T 2.6107 7.0168 109.0073 62.7566 68.5036 174.6563 111 F 4.4786 7.5688 119.8579 57.7912 39.7672 176.6529 112 E 4.2177 8.0651 122.0362 55.9303 31.1460 177.0383 113 E 3.9739 8.9978 123.1600 59.7171 29.5789 179.1478 114 E 3.9083 8.2072 118.4426 59.0052 29.8949 178.2134 115 W 3.8719 8.3014 127.9185 60.6097 30.7158 177.7910 116 V 3.7634 8.3707 118.1139 65.9974 30.8979 177.8542 117 A 4.0530 8.0044 120.5134 55.0622 18.1575 179.8527 118 K 3.7927 8.1185 117.0520 59.5796 32.0601 179.3643 119 Q 3.8718 8.4439 120.1475 59.4860 28.9209 178.5673 120 T 4.0152 8.3486 117.1509 66.4148 68.4640 176.5253 121 K 3.5892 7.9133 121.5204 59.4798 32.1603 178.6291 122 R 3.8356 8.1375 119.2111 59.8847 29.8363 178.3294 123 M 4.0448 8.3006 118.4760 58.4212 31.7970 178.7660 124 L 4.1208 7.9232 119.1357 57.6198 41.4647 179.2356 125 D 4.4171 8.2191 119.1984 56.9641 40.8590 177.5991 126 M 4.2752 8.1396 114.7993 54.0828 32.4597 176.0040 127 K 4.1254 7.6990 117.3376 56.3978 30.3724 176.3054 128 V 3.4687 8.2806 118.6226 64.5108 32.9212 175.0392 129 A 4.1509 8.7456 128.8397 52.9290 15.5242 175.4837 130 P 4.5657 0.0000 0.0000 64.2649 32.6436 178.8294 131 I 4.1401 7.8275 119.3417 63.7831 37.6702 176.0291 132 Q 4.6682 8.0148 114.4609 57.3704 35.0488 176.2230 133 G 3.8195 8.3628 105.5816 48.1169 0.0000 172.9898 134 F 4.8549 8.1564 120.8727 59.2807 42.3303 176.4889 135 S 4.2251 9.3120 117.0520 61.3464 63.1544 176.8112 136 A 4.2339 8.2075 121.9163 54.4322 18.4979 177.9350 137 K 4.4793 8.5023 114.9404 56.0158 32.4432 175.7014 138 W 4.7511 7.9163 129.5478 55.2554 32.5537 174.7573 139 D 4.4666 7.8582 125.8504 53.0024 39.8405 176.4818 140 Y 4.3188 8.4155 125.3208 60.6905 38.6694 177.6976 141 D 4.5029 8.2214 119.8893 57.2743 41.2478 178.3169 142 K 4.0722 7.9893 115.5686 56.6383 32.5183 176.4170 143 N 3.9618 7.1965 115.9787 53.4201 37.7950 171.9410 144 E 3.4216 6.1358 113.9820 54.3246 33.9909 175.5853 145 W 4.5131 7.8432 120.3538 56.3228 29.6495 176.7041 146 K 3.8800 8.5970 124.3385 56.6626 32.2630 177.3440 147 K 4.1392 8.5201 122.4655 56.7839 32.0818 176.8978 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 4 S 8.33 4.22 0.00 3.81 3.80 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 5 V 7.46 3.73 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 0.73 0.00 0.00 0.91 0.00 0.00 6 V 8.98 4.23 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 0.90 0.00 0.00 0.96 0.00 0.00 7 K 8.13 4.74 0.00 1.74 1.67 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.41 7.81 8 S 8.87 4.34 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.22 4.13 0.00 2.02 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 0.00 2.28 2.27 0.00 10 D 7.97 4.73 0.00 3.07 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 11 Y 7.79 4.14 0.00 3.04 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 12 A 6.97 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.21 4.72 0.00 1.75 1.56 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.29 0.00 2.06 2.02 0.00 3.62 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 2.04 2.09 0.00 15 S 8.38 4.83 0.00 3.98 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 16 Y 8.30 4.57 0.00 2.99 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 17 V 6.77 4.27 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 0.66 0.00 0.00 0.77 0.00 0.00 18 D 8.48 4.64 0.00 2.70 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 19 R 7.84 4.51 0.00 1.71 1.71 0.00 3.60 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 1.53 1.57 0.00 20 R 8.72 3.41 0.00 1.80 2.04 0.00 3.43 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 21 D 7.97 4.81 0.00 2.84 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 22 Y 7.90 4.75 0.00 2.98 2.79 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 23 P 0.00 4.47 0.00 2.29 2.42 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 24 L 6.75 4.71 0.00 1.51 1.67 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.66 0.00 1.99 1.68 0.00 3.92 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.06 0.00 26 D 8.75 4.57 0.00 2.73 2.79 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 27 V 7.44 4.54 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 0.79 0.00 0.00 1.12 0.00 0.00 28 A 8.28 4.23 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 29 H 8.62 3.76 0.00 2.55 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.75 4.22 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 0.84 0.00 0.00 0.80 0.00 0.00 31 K 8.61 4.23 0.00 1.87 1.88 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.41 7.81 32 N 7.95 4.70 0.00 2.70 2.77 0.00 0.00 6.76 7.85 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 33 L 8.18 4.70 0.00 1.59 1.54 0.90 0.92 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 34 S 8.26 4.47 0.00 4.04 4.01 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 35 A 8.44 3.97 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 36 S 7.98 4.07 0.00 4.06 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 37 Q 7.87 3.97 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 38 K 8.38 4.02 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 39 A 7.77 4.01 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 40 L 8.08 3.94 0.00 1.78 1.84 0.94 0.64 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 41 K 8.02 4.07 0.00 1.78 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.61 7.81 42 E 7.98 4.17 0.00 2.14 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 2.58 2.46 0.00 43 K 8.17 4.04 0.00 1.87 2.00 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.15 4.21 0.00 2.18 2.25 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 2.63 2.39 0.00 45 K 7.90 4.24 0.00 1.94 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.74 7.81 46 A 7.62 4.45 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 47 S 8.37 4.01 0.00 3.81 3.76 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 0.00 0.00 0.00 0.00 48 W 8.52 4.63 0.00 3.46 3.10 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 0.00 0.00 0.00 0.00 49 S 7.79 4.28 0.00 3.87 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 50 S 7.75 4.45 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.50 4.58 0.00 2.02 1.63 1.00 0.67 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 52 S 9.60 4.54 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.27 3.66 1.87 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 1.64 0.90 0.89 0.00 0.00 54 D 8.13 4.36 0.00 2.72 2.73 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 0.00 0.00 0.00 55 E 7.93 4.04 0.00 2.22 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 2.36 0.00 56 K 8.28 3.95 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.55 7.81 57 V 8.10 3.66 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 0.92 0.00 0.00 58 E 7.96 3.97 0.00 2.18 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 2.36 0.00 59 L 7.94 4.12 0.00 1.99 1.67 0.87 0.60 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 60 Y 8.20 4.09 0.00 3.21 3.14 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 61 R 8.14 4.63 0.00 1.89 2.04 0.00 3.49 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.77 0.00 62 L 7.55 4.13 0.00 1.73 1.63 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.67 3.59 0.00 1.51 1.36 0.00 1.12 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 F 7.46 5.13 0.00 2.57 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 65 K 7.98 3.61 0.00 0.97 1.92 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.28 7.81 66 E 8.60 4.93 0.00 2.26 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 2.28 2.24 0.00 67 S 8.92 5.17 0.00 4.12 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 68 F 8.89 3.89 0.00 3.04 3.16 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 69 A 8.09 4.06 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 70 E 8.19 4.11 0.00 2.33 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 2.36 2.35 0.00 71 M 8.18 4.30 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 72 N 7.92 4.74 0.00 2.87 2.90 0.00 0.00 7.05 7.18 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 73 R 7.11 4.07 0.00 1.98 1.96 0.00 3.08 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 74 S 8.40 4.53 0.00 4.05 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 75 T 8.03 4.75 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 1.25 0.00 0.00 76 N 8.46 4.82 0.00 2.72 2.71 0.00 0.00 6.45 7.66 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 77 E 8.28 3.95 0.00 2.09 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 2.36 2.35 0.00 78 W 8.44 4.38 0.00 3.68 3.33 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 79 K 6.75 3.16 0.00 1.49 1.40 0.00 1.30 0.00 0.00 1.24 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.56 3.78 4.30 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 0.00 0.00 0.00 1.18 0.00 0.00 81 V 7.85 3.60 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 1.14 0.00 0.00 1.01 0.00 0.00 82 V 8.35 3.77 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 1.09 0.00 0.00 1.22 0.00 0.00 83 G 8.43 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 84 A 8.49 4.15 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.39 4.14 1.51 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 0.00 0.00 86 M 8.30 4.12 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.61 0.00 87 F 8.20 4.04 0.00 3.08 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 88 F 8.43 3.98 0.00 3.29 3.10 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 0.00 0.00 0.00 0.00 89 I 7.97 3.99 1.91 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 1.52 0.74 0.94 0.00 0.00 90 G 8.09 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 91 F 8.06 3.97 0.00 2.45 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 92 T 7.93 3.72 4.45 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 0.00 0.00 0.00 1.21 0.00 0.00 93 A 7.77 4.04 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 94 L 7.50 3.90 0.00 1.45 1.52 0.90 0.54 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 95 L 7.31 3.89 0.00 1.71 1.60 0.84 0.34 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 96 L 8.01 4.06 0.00 1.87 1.74 0.93 0.72 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 97 I 7.86 3.76 2.05 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 1.41 1.09 0.93 0.00 0.00 98 W 8.42 4.21 0.00 3.42 3.39 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 99 E 8.71 3.88 0.00 2.33 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 0.00 1.66 2.15 0.00 100 K 7.90 4.10 0.00 1.88 2.00 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.50 7.81 101 H 8.04 4.03 0.00 2.99 3.20 0.00 5.99 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 0.00 102 Y 7.76 4.16 0.00 1.44 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 0.00 0.00 0.00 103 V 7.46 3.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.83 0.00 0.00 104 Y 7.56 4.57 0.00 3.11 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 0.00 105 G 8.35 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 0.00 106 P 0.00 4.37 0.00 2.16 2.03 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 107 I 7.78 4.03 1.54 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.61 0.00 0.00 108 P 0.00 4.35 0.00 2.23 1.87 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 109 H 8.47 4.28 0.00 3.25 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.02 2.61 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 0.06 0.00 0.00 111 F 7.57 4.48 0.00 3.20 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 0.00 112 E 8.07 4.22 0.00 2.29 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 2.40 2.39 0.00 113 E 9.00 3.97 0.00 2.09 2.03 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 0.00 2.44 2.46 0.00 114 E 8.21 3.91 0.00 2.13 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 2.37 2.38 0.00 115 W 8.30 3.87 0.00 3.56 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 0.00 116 V 8.37 3.76 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 1.12 0.00 0.00 1.13 0.00 0.00 117 A 8.00 4.05 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 0.00 118 K 8.12 3.79 0.00 1.66 1.59 0.00 1.45 0.00 0.00 1.26 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.43 7.81 119 Q 8.44 3.87 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 120 T 8.35 4.02 4.50 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 1.46 0.00 0.00 121 K 7.91 3.59 0.00 1.74 1.88 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.47 7.81 122 R 8.14 3.84 0.00 1.89 2.02 0.00 3.07 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 123 M 8.30 4.04 0.00 1.98 2.35 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 124 L 7.92 4.12 0.00 1.51 1.28 -0.94 0.72 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 0.00 125 D 8.22 4.42 0.00 2.76 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 0.00 126 M 8.14 4.28 0.00 2.14 2.15 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 2.56 2.79 0.00 127 K 7.70 4.13 0.00 1.87 1.94 0.00 1.53 0.00 0.00 1.26 0.00 0.00 2.39 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.50 1.24 7.81 128 V 8.28 3.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 129 A 8.75 4.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.26 2.38 0.00 3.82 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 131 I 7.83 4.14 1.92 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 1.45 0.47 0.95 0.00 0.00 132 Q 8.01 4.67 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.36 3.82 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 0.00 0.00 0.00 134 F 8.16 4.85 0.00 3.06 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 0.00 135 S 9.31 4.23 0.00 4.23 4.30 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 0.00 0.00 0.00 0.00 136 A 8.21 4.23 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 0.00 137 K 8.50 4.48 0.00 2.15 1.94 0.00 1.78 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.45 7.81 138 W 7.92 4.75 0.00 2.85 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 0.00 139 D 7.86 4.47 0.00 2.36 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 0.00 0.00 0.00 140 Y 8.42 4.32 0.00 3.10 3.07 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 0.00 141 D 8.22 4.50 0.00 2.87 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 0.00 142 K 7.99 4.07 0.00 1.57 1.70 0.00 1.91 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.29 7.81 143 N 7.20 3.96 0.00 2.84 2.74 0.00 0.00 6.93 7.53 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 0.00 144 E 6.14 3.42 0.00 1.65 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 145 W 7.84 4.51 0.00 3.13 3.07 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 0.00 146 K 8.60 3.88 0.00 1.69 1.76 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.37 7.81 147 K 8.52 4.14 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81