NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2101 8.3344 116.7734 58.1306 64.9014 173.5572 5 V 3.8471 7.5466 122.9281 60.5031 31.4267 169.7706 6 V 4.1775 8.9830 128.7979 61.5539 33.8463 174.6507 7 K 4.7291 8.1787 124.8984 54.3632 34.9768 177.1205 8 S 4.1617 8.9012 118.4094 62.1247 62.7826 176.5167 9 E 4.7181 8.2041 114.0282 57.0110 29.3183 176.3780 10 D 4.7476 8.0308 117.9099 54.6475 41.0272 178.0540 11 Y 4.1452 7.2799 119.3537 59.4362 37.9647 176.8814 12 A 4.2491 6.9249 120.9758 52.3745 19.4378 176.8132 13 L 4.5503 7.3421 115.8597 52.1540 43.2242 175.0019 14 P 4.3782 0.0000 0.0000 63.0961 31.7768 175.6887 15 S 4.8288 8.1515 114.5114 56.3512 66.3366 172.7086 16 Y 4.2727 8.4387 121.3823 57.4019 39.3095 174.9249 17 V 4.2231 6.5415 117.4008 60.3041 35.6309 174.0104 18 D 4.6369 8.4501 124.4966 52.8776 40.3790 175.8430 19 R 4.5238 7.8221 122.4220 53.9971 34.0671 176.6888 20 R 3.4821 8.6812 122.0206 58.8690 30.1246 177.0007 21 D 4.8893 7.9902 113.4948 53.2191 40.2664 175.9194 22 Y 4.7979 8.1517 120.7898 55.6090 38.6030 173.9393 23 P 4.5025 0.0000 0.0000 64.7924 32.0460 176.8690 24 L 4.6931 6.7363 118.5891 51.7771 41.9837 174.2513 25 P 4.6366 0.0000 0.0000 62.1229 31.9824 176.8251 26 D 4.5743 8.6410 118.4602 56.7181 40.9376 176.7981 27 V 4.5376 7.3923 109.9274 59.1954 35.8681 174.4300 28 A 4.3342 8.2452 123.6580 51.8063 19.1769 177.2809 29 H 3.6614 8.5495 121.7540 58.1529 29.9613 175.9984 30 V 4.1583 7.8285 119.2082 60.7522 32.9400 174.7737 31 K 4.2717 8.5760 125.9227 57.3287 34.0080 176.1554 32 N 4.7423 7.9320 116.9537 51.6363 39.6160 174.0437 33 L 4.6671 8.1973 123.1065 52.8192 44.1802 177.1527 34 S 4.4706 8.2712 117.4403 57.1114 65.6714 174.9959 35 A 3.9703 8.5417 123.1678 55.7683 17.8266 180.0572 36 S 4.1432 8.0257 111.6801 61.5391 63.0004 176.5100 37 Q 3.9551 7.7559 121.6356 58.6366 28.4728 178.5193 38 K 3.9029 8.5174 119.7951 59.4497 32.0821 179.1513 39 A 3.9889 8.0555 120.9180 55.1293 18.2930 179.4821 40 L 3.9581 8.1121 119.0103 58.2600 41.9641 179.3633 41 K 4.0673 8.2083 117.7543 59.1941 32.1161 179.0000 42 E 4.1344 8.0857 119.1996 59.2771 29.4926 179.0477 43 K 3.9322 8.5214 120.0830 59.4689 31.9795 178.1537 44 E 4.3058 8.1239 118.3342 58.4210 29.6354 178.2730 45 K 4.2450 8.1637 117.1801 58.2127 32.4448 176.5908 46 A 4.4444 7.6693 122.0905 50.1057 20.7420 176.4083 47 S 3.9693 8.3919 112.1201 58.8288 62.8465 175.5348 48 W 4.6545 8.4148 126.2981 59.3836 29.2461 178.5903 49 S 4.2837 7.8082 114.1706 61.3468 62.2905 175.6349 50 S 4.4198 7.7661 114.6858 59.7456 63.0449 174.6539 51 L 4.3815 7.5780 121.5057 54.3169 42.0949 177.7848 52 S 4.4593 9.1895 118.8611 57.6861 65.1953 175.2610 53 I 3.6343 8.3552 123.6210 65.2579 36.8986 178.1675 54 D 4.3660 8.1381 118.5756 57.5962 40.6326 178.7895 55 E 4.0431 8.0982 118.7320 59.0170 29.4803 179.4227 56 K 3.9063 8.5355 119.0771 59.4695 32.1499 179.4562 57 V 3.6346 8.0346 118.7332 66.1013 30.9038 177.6909 58 E 3.9873 8.2757 119.0004 59.2222 29.3132 178.8056 59 L 3.9993 8.1645 119.2697 57.6141 41.5022 178.7167 60 Y 4.0919 8.1282 119.5505 60.9746 38.6337 178.5915 61 R 4.2373 8.1489 117.0259 58.8727 30.3148 178.6425 62 L 4.0787 7.4533 118.4107 57.0802 41.5876 179.0735 63 K 3.5824 7.5031 119.6880 57.3635 32.1455 176.5405 64 F 5.2393 7.1136 115.5749 55.4415 42.0224 174.6813 65 K 3.7624 9.0145 124.4674 57.8143 32.4885 176.6326 66 E 5.0209 8.4261 118.6331 54.3887 32.1595 176.8109 67 S 5.0340 9.3130 118.4433 57.1836 65.4710 175.3492 68 F 3.8862 9.1878 120.4596 60.8874 38.3686 177.7835 69 A 4.0712 8.0890 118.5141 55.1394 18.3931 179.2320 70 E 4.0806 8.0286 117.0653 59.8540 29.5075 179.5259 71 M 4.1644 8.0366 115.3531 57.6476 31.2217 177.1226 72 N 4.7382 7.6893 115.6382 51.8704 39.5068 175.2000 73 R 4.1229 7.2157 118.3138 55.7936 30.2626 176.8550 74 S 4.4607 8.4500 115.6278 58.1499 64.0920 172.7663 75 T 4.6968 8.1350 110.5903 60.1557 71.6875 173.2081 76 N 4.7361 8.4327 115.7909 53.3467 38.7225 177.0023 77 E 3.9524 8.0098 122.7479 59.0079 29.4679 178.9381 78 W 4.2540 8.1494 116.5242 59.3665 28.1432 178.3372 79 K 3.2266 6.6260 118.7063 59.3113 31.4188 179.4107 80 T 3.7975 7.5336 115.4343 66.4290 68.3943 176.8105 81 V 3.5683 7.9749 120.2112 66.0673 31.6961 178.3201 82 V 3.7830 8.4004 118.5393 65.9937 31.4428 178.1235 83 G 3.6665 8.2677 105.3108 47.8897 0.0000 175.5197 84 A 4.1837 8.1777 122.9074 54.5324 18.4537 179.4410 85 A 4.1165 8.6371 119.8506 55.9843 18.4766 179.8913 86 M 4.2046 8.2610 117.0330 58.2311 31.9763 178.7391 87 F 3.9496 8.1797 120.9455 61.5167 39.6025 177.3093 88 F 4.2352 8.4089 117.0969 60.2512 38.5117 177.9813 89 I 3.9685 8.3758 119.5942 63.9373 37.0897 178.4275 90 G 3.5752 8.2668 107.3248 47.7459 0.0000 175.4686 91 F 3.9083 7.9942 123.8956 61.2682 39.3979 177.3198 92 T 3.6991 7.9131 115.0344 66.3761 68.1290 176.3820 93 A 4.0369 7.8342 122.5497 54.6385 18.2459 179.6319 94 L 3.8976 7.5938 118.0566 57.7854 41.4798 179.6059 95 L 3.8782 7.2444 118.5694 57.6662 41.6624 179.3255 96 L 4.0276 7.8107 118.6785 57.5261 41.5106 179.5392 97 I 3.6902 8.1432 120.3320 64.2025 37.0337 178.0809 98 W 4.2044 8.4055 129.2522 60.4917 30.3773 177.4516 99 E 3.9826 8.7592 119.4237 59.3851 28.8993 178.8258 100 K 4.0504 7.9198 118.1282 59.5004 32.2502 178.1217 101 H 3.9723 7.9006 117.9168 59.0172 29.9717 176.1542 102 Y 4.2928 7.3403 115.3457 57.7362 38.5208 176.3953 103 V 4.0056 7.3114 117.9097 64.4360 32.9276 175.4964 104 Y 4.5256 7.5239 116.5179 57.6231 38.2216 176.3957 105 G 3.9325 8.4902 114.4393 43.8139 0.0000 171.0592 106 P 4.3700 0.0000 0.0000 62.3614 31.8960 175.9592 107 I 4.0989 7.7486 113.1504 58.7958 39.3657 173.6366 108 P 4.2794 0.0000 0.0000 63.1245 31.7508 177.4251 109 H 4.3053 8.5932 116.3198 57.9802 28.5688 176.7639 110 T 2.7369 7.0505 108.7482 62.1987 68.6377 174.7214 111 F 4.6175 7.6604 119.8086 57.5739 39.7238 176.5631 112 E 4.2597 8.0390 121.8528 55.8591 31.2194 177.2280 113 E 4.0014 8.8466 122.4364 59.7409 29.7324 179.0992 114 E 3.9558 8.2068 118.6527 58.8672 29.7956 178.0378 115 W 3.9483 8.3684 128.0538 60.6623 30.6052 177.8676 116 V 3.6616 8.1841 117.6894 65.9742 30.9555 177.7219 117 A 4.0111 8.1052 120.4913 55.2557 18.1841 179.8342 118 K 3.8224 7.9629 116.9425 59.4464 32.0823 179.4974 119 Q 3.8060 8.0494 119.9637 59.1608 28.9086 178.4335 120 T 3.9425 8.1491 117.1756 66.3904 68.5348 176.2001 121 K 3.4871 7.7882 121.5666 59.7131 32.0468 178.3114 122 R 3.8306 7.9562 118.5802 59.8966 29.8330 178.1777 123 M 4.0023 8.1708 118.2209 58.5827 32.0654 178.8443 124 L 4.1558 8.0315 119.0035 57.8594 41.4756 179.2916 125 D 4.5089 8.3758 118.8491 56.5873 40.8362 177.5318 126 M 4.2779 8.0230 115.2722 53.8693 32.7343 175.7990 127 K 3.9915 7.7268 117.1681 56.7316 30.1616 176.2569 128 V 3.5549 8.2767 118.9849 64.3311 32.9620 175.0619 129 A 3.7749 8.7043 127.1761 53.0119 15.4788 175.2707 130 P 4.5016 0.0000 0.0000 64.3271 32.7173 179.1167 131 I 4.0852 7.8894 119.4246 63.9802 37.4650 176.1666 132 Q 4.6726 7.9375 113.7337 57.1663 35.0639 176.4078 133 G 3.7807 8.4287 105.9332 48.0679 0.0000 173.0411 134 F 4.7601 8.0006 121.1819 58.8320 41.7159 176.5356 135 S 4.2500 9.4649 116.7780 61.6006 63.3168 176.7491 136 A 4.2119 8.3242 121.8519 54.7150 18.3078 177.7169 137 K 4.6300 8.5177 114.5298 55.8758 33.4252 175.5015 138 W 4.6767 8.4545 131.4017 55.3751 32.7179 174.8106 139 D 4.4769 7.5920 127.5093 53.1979 40.8128 176.5682 140 Y 4.2175 8.7479 124.3484 60.1235 38.1864 176.9576 141 D 4.5477 7.8629 120.0283 56.8011 41.3539 177.8695 142 K 3.9495 7.9559 117.0045 56.8027 32.6690 176.3183 143 N 4.0248 7.3247 117.2749 53.5130 37.7807 172.0117 144 E 3.6713 5.9000 113.8151 54.1858 33.7391 175.4706 145 W 4.4398 7.8306 120.3919 56.4060 29.6586 176.5387 146 K 3.7340 8.4543 124.1023 56.8461 32.2129 177.2337 147 K 4.1432 8.5692 122.8221 56.7688 32.0212 176.8422 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 4.21 0.00 3.82 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 5 V 7.55 3.85 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 0.74 0.00 0.00 0.92 0.00 0.00 6 V 8.98 4.18 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 0.91 0.00 0.00 0.97 0.00 0.00 7 K 8.18 4.73 0.00 1.83 1.67 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 8 S 8.90 4.16 0.00 3.92 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 9 E 8.20 4.72 0.00 2.11 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 0.00 2.27 2.28 0.00 10 D 8.03 4.75 0.00 2.97 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 11 Y 7.28 4.15 0.00 3.15 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 12 A 6.92 4.25 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 7.34 4.55 0.00 1.76 1.57 0.88 0.76 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 14 P 0.00 4.38 0.00 2.06 2.03 0.00 3.61 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 2.10 0.00 15 S 8.15 4.83 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.44 4.27 0.00 3.04 3.03 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 0.00 0.00 0.00 17 V 6.54 4.22 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 0.63 0.00 0.00 0.88 0.00 0.00 18 D 8.45 4.64 0.00 2.69 2.61 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 19 R 7.82 4.52 0.00 1.83 1.92 0.00 3.11 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 20 R 8.68 3.48 0.00 1.77 2.06 0.00 3.25 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 21 D 7.99 4.89 0.00 2.82 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 22 Y 8.15 4.80 0.00 2.94 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 23 P 0.00 4.50 0.00 2.26 2.42 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 24 L 6.74 4.69 0.00 1.58 1.66 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.64 0.00 2.23 1.72 0.00 3.94 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 1.86 2.08 0.00 26 D 8.64 4.57 0.00 2.75 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 7.39 4.54 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 0.76 0.00 0.00 1.03 0.00 0.00 28 A 8.25 4.33 1.12 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 0.00 0.00 29 H 8.55 3.66 0.00 2.17 3.16 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.83 4.16 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 0.80 0.00 0.00 0.61 0.00 0.00 31 K 8.58 4.27 0.00 1.85 1.86 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.39 7.81 32 N 7.93 4.74 0.00 2.69 2.76 0.00 0.00 6.78 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 8.20 4.67 0.00 1.58 1.53 0.90 0.90 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 34 S 8.27 4.47 0.00 4.03 3.99 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 0.00 0.00 0.00 35 A 8.54 3.97 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 36 S 8.03 4.14 0.00 4.06 4.14 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 37 Q 7.76 3.96 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 38 K 8.52 3.90 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.66 7.81 39 A 8.06 3.99 1.41 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 0.00 0.00 0.00 40 L 8.11 3.96 0.00 1.77 1.83 0.98 0.65 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 8.21 4.07 0.00 1.87 1.87 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.61 7.81 42 E 8.09 4.13 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 2.47 2.46 0.00 43 K 8.52 3.93 0.00 1.91 1.98 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.12 4.31 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 45 K 8.16 4.24 0.00 1.84 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.59 7.81 46 A 7.67 4.44 1.30 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 0.00 0.00 47 S 8.39 3.97 0.00 3.80 3.75 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 48 W 8.41 4.65 0.00 3.51 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 49 S 7.81 4.28 0.00 3.84 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 7.77 4.42 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 51 L 7.58 4.38 0.00 2.03 1.65 1.01 0.94 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 52 S 9.19 4.46 0.00 4.04 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 8.36 3.63 1.87 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 1.64 0.93 0.90 0.00 0.00 54 D 8.14 4.37 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 8.10 4.04 0.00 2.23 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 8.54 3.91 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.40 1.54 7.81 57 V 8.03 3.63 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 1.03 0.00 0.00 0.91 0.00 0.00 58 E 8.28 3.99 0.00 2.26 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 2.31 2.36 0.00 59 L 8.16 4.00 0.00 1.90 1.63 0.85 0.61 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 60 Y 8.13 4.09 0.00 3.17 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 61 R 8.15 4.24 0.00 2.04 2.04 0.00 3.49 0.00 0.00 3.47 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 62 L 7.45 4.08 0.00 1.78 1.59 0.87 0.71 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 63 K 7.50 3.58 0.00 1.38 0.98 0.00 1.06 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.55 0.21 7.81 64 F 7.11 5.24 0.00 2.47 2.88 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 65 K 9.01 3.76 0.00 0.91 2.00 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.15 7.81 66 E 8.43 5.02 0.00 2.06 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 2.29 2.26 0.00 67 S 9.31 5.03 0.00 4.04 4.06 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 0.00 0.00 0.00 0.00 68 F 9.19 3.89 0.00 3.06 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 69 A 8.09 4.07 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 8.03 4.08 0.00 2.23 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 2.36 2.35 0.00 71 M 8.04 4.16 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 72 N 7.69 4.74 0.00 2.88 2.89 0.00 0.00 7.01 7.72 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 73 R 7.22 4.12 0.00 1.91 2.19 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 1.73 1.59 0.00 74 S 8.45 4.46 0.00 4.06 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 75 T 8.14 4.70 4.27 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 1.24 0.00 0.00 76 N 8.43 4.74 0.00 2.71 2.68 0.00 0.00 6.43 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 8.01 3.95 0.00 2.02 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 2.34 2.33 0.00 78 W 8.15 4.25 0.00 3.72 3.36 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 79 K 6.63 3.23 0.00 1.44 1.40 0.00 1.29 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.53 3.80 4.31 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 1.18 0.00 0.00 81 V 7.97 3.57 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 1.02 0.00 0.00 0.99 0.00 0.00 82 V 8.40 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 1.09 0.00 0.00 1.25 0.00 0.00 83 G 8.27 3.67 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 0.00 0.00 0.00 84 A 8.18 4.18 1.59 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 85 A 8.64 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.26 4.20 0.00 2.15 2.34 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 2.91 2.60 0.00 87 F 8.18 3.95 0.00 3.19 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 88 F 8.41 4.24 0.00 3.30 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 89 I 8.38 3.97 2.10 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 1.51 0.65 0.93 0.00 0.00 90 G 8.27 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.99 3.91 0.00 2.52 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 92 T 7.91 3.70 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 1.20 0.00 0.00 93 A 7.83 4.04 1.26 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 0.00 0.00 0.00 94 L 7.59 3.90 0.00 1.34 1.54 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.24 3.88 0.00 1.68 1.59 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.81 4.03 0.00 1.83 1.73 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.14 3.69 2.03 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 1.40 0.76 0.91 0.00 0.00 98 W 8.41 4.20 0.00 3.45 3.28 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 99 E 8.76 3.98 0.00 2.29 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 0.00 1.63 2.16 0.00 100 K 7.92 4.05 0.00 1.90 1.85 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.48 7.81 101 H 7.90 3.97 0.00 2.87 2.76 0.00 5.98 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 7.34 4.29 0.00 1.57 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 0.00 0.00 0.00 103 V 7.31 4.01 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 0.65 0.00 0.00 0.94 0.00 0.00 104 Y 7.52 4.53 0.00 3.10 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 0.00 105 G 8.49 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 0.00 106 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 7.75 4.10 1.59 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.62 0.00 0.00 108 P 0.00 4.28 0.00 2.32 1.96 0.00 3.65 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 2.21 2.10 0.00 109 H 8.59 4.31 0.00 3.58 3.47 0.00 5.65 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 0.00 110 T 7.05 2.74 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 111 F 7.66 4.62 0.00 3.02 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 0.00 112 E 8.04 4.26 0.00 2.20 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 2.39 2.42 0.00 113 E 8.85 4.00 0.00 2.09 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 2.43 2.44 0.00 114 E 8.21 3.96 0.00 2.12 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 2.38 2.36 0.00 115 W 8.37 3.95 0.00 3.61 3.22 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 0.00 116 V 8.18 3.66 2.33 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 1.13 0.00 0.00 1.16 0.00 0.00 117 A 8.11 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.96 3.82 0.00 1.60 1.55 0.00 1.45 0.00 0.00 1.30 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.40 7.81 119 Q 8.05 3.81 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 120 T 8.15 3.94 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 1.52 0.00 0.00 121 K 7.79 3.49 0.00 1.66 1.84 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.40 7.81 122 R 7.96 3.83 0.00 1.81 2.00 0.00 3.07 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 123 M 8.17 4.00 0.00 1.91 2.29 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 124 L 8.03 4.16 0.00 1.58 1.27 -0.74 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.38 4.51 0.00 2.74 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 0.00 126 M 8.02 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 2.54 2.73 0.00 127 K 7.73 3.99 0.00 1.95 1.92 0.00 1.51 0.00 0.00 1.19 0.00 0.00 2.50 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.53 1.25 7.81 128 V 8.28 3.55 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 0.91 0.00 0.00 0.87 0.00 0.00 129 A 8.70 3.77 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.50 0.00 2.24 2.26 0.00 3.83 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 2.03 2.02 0.00 131 I 7.89 4.09 1.91 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 1.44 0.45 0.94 0.00 0.00 132 Q 7.94 4.67 0.00 2.04 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 2.40 0.00 133 G 8.43 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.00 4.76 0.00 3.13 3.24 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 0.00 135 S 9.46 4.25 0.00 4.17 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.32 4.21 1.47 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 0.00 0.00 137 K 8.52 4.63 0.00 2.01 1.96 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.43 7.81 138 W 8.45 4.68 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 7.59 4.48 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.75 4.22 0.00 3.11 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 0.00 141 D 7.86 4.55 0.00 2.80 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 0.00 142 K 7.96 3.95 0.00 1.53 1.71 0.00 1.79 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.33 7.81 143 N 7.32 4.02 0.00 2.77 2.76 0.00 0.00 6.92 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 0.00 144 E 5.90 3.67 0.00 1.73 1.68 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 1.86 1.97 0.00 145 W 7.83 4.44 0.00 3.17 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 0.00 146 K 8.45 3.73 0.00 1.68 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.39 7.81 147 K 8.57 4.14 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.38 7.81