NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3755 8.2893 120.3490 55.5209 33.0693 174.3483 2 S 4.6476 8.2705 120.6806 54.9109 66.2559 171.7609 3 S 4.2553 8.2504 114.4203 58.4646 63.3090 176.2748 4 Q 4.1347 8.5761 122.5899 58.2012 28.6586 177.0545 5 I 4.0627 7.4143 111.2751 61.5461 38.6051 176.3640 6 R 4.1981 7.0526 120.3553 56.1139 30.1756 175.6177 7 Q 4.2924 8.6824 124.4814 56.2333 32.0023 173.2898 8 N 4.1171 9.0004 125.2162 54.8504 37.0054 174.8925 9 Y 4.7406 7.6376 117.6973 54.6087 40.3968 174.6989 10 S 4.2612 8.2184 122.1878 58.2043 65.1699 175.1404 11 T 3.7678 8.3229 113.9277 64.8374 68.4877 176.4886 12 D 4.2240 7.8570 121.3755 57.3190 40.9187 178.5128 13 V 3.4913 7.3922 118.2784 65.9444 31.3311 177.5388 14 E 3.6990 7.7750 118.7122 59.1168 29.3904 178.7848 15 A 3.8897 8.0841 120.5039 55.1767 18.4584 179.3556 16 A 3.9352 8.3849 119.7417 55.2870 18.2908 180.1039 17 V 3.5583 8.0540 116.8237 66.3541 31.7974 177.9914 18 N 4.2908 7.9362 116.0344 56.3975 38.2946 177.3887 19 S 4.1143 8.2755 114.5852 61.3290 62.4648 176.0205 20 L 4.0640 8.2681 123.1625 57.9208 41.7915 179.1202 21 V 3.7424 8.0667 118.8181 65.7872 31.4464 177.5421 22 N 4.3266 8.1019 116.6442 56.6732 38.8846 176.5305 23 L 3.9793 8.1471 121.7894 58.6018 42.0872 178.6319 24 Y 4.0124 8.5391 116.7618 60.8394 37.8280 178.1953 25 L 3.8459 8.1140 120.2133 57.5483 41.5656 179.2653 26 Q 3.9823 8.3521 119.3099 59.2538 29.0933 177.8578 27 A 3.9801 8.1110 121.7965 55.5015 18.1247 179.4882 28 S 4.3078 8.3261 110.3246 61.7364 62.7982 175.4500 29 Y 4.6724 8.1640 122.0584 61.2357 38.5968 177.7675 30 T 3.8068 8.1623 116.8084 67.3601 68.6344 176.0825 31 Y 4.0602 7.9245 117.8248 60.6408 37.9039 178.5462 32 L 4.1984 8.2433 121.8893 58.0340 42.1935 178.8403 33 S 4.2165 8.0644 112.5979 61.5797 62.3913 175.7703 34 L 3.6387 7.7496 121.7495 57.6641 40.9615 179.9203 35 G 3.7109 8.0925 104.4771 47.9983 0.0000 175.4890 36 F 4.3696 8.3770 119.5895 59.2558 39.0806 177.4898 37 Y 4.0870 8.4057 120.0269 60.7472 38.7497 177.5780 38 F 4.3261 8.2859 116.7516 58.7891 38.8923 176.3193 39 D 4.5857 7.7965 117.0527 54.5421 41.8018 176.5314 40 R 3.9520 7.2738 119.0924 56.6583 30.5046 177.3488 41 D 4.4081 8.7228 121.6500 55.7177 39.4707 176.8542 42 D 4.5440 7.9159 117.6600 54.0378 40.3644 176.6850 43 V 3.8719 7.6345 117.6352 64.3567 33.4107 175.5964 44 A 3.8475 8.1986 119.8013 53.7868 16.4718 178.5528 45 L 4.7579 7.8693 121.8946 51.6024 42.5733 177.3529 46 E 4.0353 8.6569 123.4040 59.3561 29.7946 178.1279 47 G 3.6117 8.0803 104.8038 48.0713 0.0000 175.6744 48 V 3.4524 7.6442 120.4026 65.1338 31.5013 177.8885 49 S 4.2168 8.3009 113.5066 61.6150 62.4434 175.2343 50 H 3.9842 8.7564 121.2341 59.3914 29.0164 176.6259 51 F 4.1112 8.3005 122.0979 61.6473 39.2211 177.2164 52 F 4.2030 8.1176 116.6587 60.4063 38.7049 178.0728 53 R 4.0211 8.2219 117.8523 59.1334 29.7611 178.9221 54 E 3.8973 7.9298 118.4529 59.1426 29.4732 179.1268 55 L 3.7123 7.1399 117.4463 56.7513 41.5987 179.3652 56 A 4.0766 7.5725 121.2278 55.1918 18.4105 179.3093 57 E 3.9529 7.9991 117.4372 59.2888 29.3371 178.8330 58 E 3.9713 8.0530 118.8645 59.1335 29.4514 179.3869 59 K 4.3442 7.9076 118.3221 59.0863 32.0888 179.3415 60 R 3.3328 7.8459 118.8224 59.4649 30.2314 178.5594 61 E 3.9184 8.1992 118.0073 58.7304 28.8599 179.8157 62 G 3.5671 7.5746 106.3119 47.8950 0.0000 175.5312 63 Y 4.2516 7.8489 120.6388 59.5154 38.1949 177.7372 64 E 4.0147 7.8200 120.6517 59.3375 29.4346 179.3111 65 R 3.9963 7.9435 118.1285 59.1731 30.2178 178.3635 66 L 4.4384 7.8319 118.2408 57.2163 41.8584 179.0748 67 L 4.1860 8.1772 119.2551 57.2843 41.6140 179.5451 68 K 3.9760 8.2478 118.7047 59.6955 31.5604 179.0648 69 M 3.7554 7.7485 118.2942 58.3233 31.7056 178.0416 70 Q 3.9449 7.7940 119.5057 59.3255 29.2837 178.1286 71 N 4.3173 7.9513 116.9747 56.4015 38.3847 177.5230 72 Q 3.9809 7.9472 118.2401 58.3637 29.0814 178.2457 73 R 3.9856 7.3621 117.3714 55.9860 30.1713 177.8221 74 G 4.0290 7.6717 106.6068 44.8061 0.0000 174.1963 75 G 4.0829 7.4096 107.7614 44.7188 0.0000 173.3631 76 R 4.4780 8.7005 119.0644 53.6374 32.1719 176.1803 77 A 4.0781 8.5012 126.4734 51.8724 18.8330 176.4184 78 L 4.4471 8.0772 122.5785 52.8091 43.9762 176.2380 79 F 4.8368 8.4378 122.6750 56.3696 40.2212 175.3757 80 Q 4.7441 8.3432 122.6580 53.6296 31.6073 174.9289 81 D 4.4096 8.3993 118.4207 54.6624 41.2404 176.8496 82 I 4.1826 7.9874 123.7481 59.4205 36.9708 175.7971 83 K 4.1193 8.4668 127.3116 55.9256 32.6825 176.7983 84 K 4.3355 8.3902 124.1322 55.5676 33.9072 174.9841 85 P 4.3598 0.0000 0.0000 62.5296 31.7132 177.6869 86 A 4.1298 8.6425 123.7588 54.2311 18.5194 177.1179 87 E 4.3234 7.0097 112.6405 54.6001 33.4293 174.8333 88 D 4.6427 8.0281 118.5788 54.6686 42.6601 177.0536 89 E 4.5679 7.2333 116.3915 54.3478 32.9890 175.2722 90 W 4.2292 6.3977 120.5858 55.7062 30.8847 177.5828 91 G 4.0136 7.3297 108.1465 46.6113 0.0000 175.9055 92 K 4.8177 8.3475 123.3384 54.9158 34.4975 177.3211 93 T 4.1405 8.6718 118.3303 66.6496 68.4968 174.4779 94 P 4.3461 0.0000 0.0000 65.9304 31.4964 178.3924 95 D 4.4975 8.5329 117.3341 56.8338 40.7743 178.7433 96 A 4.1008 8.1510 121.1033 55.5424 18.5185 179.2002 97 M 4.2700 8.6835 117.1769 58.8403 32.1661 178.5720 98 K 4.0600 8.2112 118.3648 58.8569 32.0867 179.3646 99 A 4.0486 7.9561 120.8593 55.0295 18.3882 179.3227 100 A 3.8975 8.0875 119.3312 55.6767 18.5668 179.3555 101 M 3.9944 8.5195 116.7040 58.9197 32.2393 178.3820 102 A 4.0089 7.7759 120.9406 54.9018 18.5896 179.2229 103 L 3.8708 8.3029 119.3298 58.4662 42.1332 179.1244 104 E 3.9982 8.5431 118.6638 59.4933 29.5061 179.5959 105 K 4.2180 8.0952 118.2144 58.8557 31.9972 179.5090 106 K 3.9025 7.9590 120.3133 59.4690 32.1983 178.7588 107 L 3.8644 7.8949 119.2488 57.9484 41.5599 179.0931 108 N 4.3710 8.6038 117.2212 56.7790 38.8910 176.5521 109 Q 4.0483 8.0013 120.1627 58.5450 29.1280 177.8764 110 A 4.0144 7.9627 122.2208 54.9710 18.4126 179.5600 111 L 3.9599 8.3387 117.9349 58.1001 41.9059 179.8594 112 L 4.0537 8.0143 118.6693 57.7201 41.4356 179.3501 113 D 4.4268 7.9444 118.7059 56.9709 40.7839 178.4639 114 L 3.9915 8.0226 121.0228 58.3958 42.1219 178.5542 115 H 4.1537 8.5723 118.1351 59.1728 29.6795 177.1425 116 A 4.0951 8.0668 122.3542 54.8602 18.1314 179.4617 117 L 3.9997 8.1040 119.1565 58.3027 42.1667 179.2750 118 G 3.7032 8.2409 105.7721 48.1924 0.0000 175.7927 119 S 4.1349 8.3233 117.1789 61.1473 62.5665 176.6600 120 A 4.0632 7.6487 123.0983 54.8398 18.2737 179.0103 121 R 4.1504 8.0625 113.8572 55.4870 31.3962 176.5427 122 T 3.4651 7.1774 108.6525 63.2701 68.1691 173.8403 123 D 4.8917 8.1019 121.1972 51.7427 41.5376 173.8544 124 P 4.3243 0.0000 0.0000 65.5940 31.4191 177.9971 125 H 4.1878 8.2353 117.5820 58.9197 29.9371 176.8115 126 L 4.0384 8.1069 121.6862 58.3694 41.9605 178.6296 127 C 3.9978 7.9065 116.1424 63.0641 28.1363 175.7735 128 D 4.3814 8.3115 119.4665 57.0500 40.7790 177.9797 129 F 4.2595 8.3307 121.4340 61.2972 39.3463 177.1945 130 L 4.1089 8.0480 118.3918 57.9409 41.0953 179.2291 131 E 3.9755 8.2135 118.5315 59.7560 29.1513 179.7621 132 T 3.7704 7.7071 114.5470 66.3694 68.7681 175.9622 133 H 4.5208 7.2721 113.6756 55.6764 29.4341 174.8324 134 F 4.9499 7.4724 116.6129 58.9134 41.1600 176.6020 135 L 3.9772 8.3997 117.8548 58.8933 41.7308 179.3880 136 D 4.3710 7.8538 114.1446 57.5157 40.8774 178.4548 137 E 4.0849 7.9796 117.9484 58.7065 29.3661 179.2196 138 E 4.0543 8.0979 119.2097 59.3496 29.6577 178.9643 139 V 3.6184 7.8387 117.7097 66.2455 31.6225 178.0201 140 K 3.9552 7.9881 117.6866 59.2309 31.8105 179.2085 141 L 3.9766 7.5578 119.4539 58.0508 41.9820 178.8568 142 I 3.6944 8.2255 120.1720 64.5126 37.1532 178.2719 143 K 3.8805 8.3148 120.4923 59.4620 31.8052 178.6869 144 K 3.9662 7.9225 119.4871 59.5269 32.0909 178.8170 145 M 4.2949 8.2950 119.4153 58.1574 32.0751 178.8190 146 G 3.8478 8.4342 106.1867 47.9385 0.0000 175.4570 147 D 4.4036 7.9735 120.5727 57.2987 40.8045 178.5889 148 H 4.2003 7.7592 116.9120 58.6913 28.6237 177.5949 149 L 3.9859 8.3683 121.1442 58.4549 41.2687 179.8031 150 T 3.8580 7.7464 114.8095 66.7889 68.1213 176.3009 151 N 4.4541 7.9824 117.3042 55.6081 38.9212 177.3322 152 L 4.1490 8.2815 121.2830 57.9527 41.5990 178.6534 153 H 4.0841 8.3484 117.4020 59.3684 29.8054 177.0051 154 R 4.0473 7.6401 119.2458 58.8200 29.9300 176.7272 155 L 4.3178 7.7630 122.8474 54.9127 41.8897 176.3960 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 1 M 8.29 4.38 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 S 8.27 4.65 0.00 4.08 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 3 S 8.25 4.26 0.00 3.87 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 4 Q 8.58 4.13 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 5 I 7.41 4.06 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.88 0.00 0.00 6 R 7.05 4.20 0.00 1.94 1.92 0.00 3.20 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 7 Q 8.68 4.29 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 8 N 9.00 4.12 0.00 2.88 2.87 0.00 0.00 6.90 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 9 Y 7.64 4.74 0.00 2.74 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 10 S 8.22 4.26 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 11 T 8.32 3.77 4.19 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 1.18 0.00 0.00 12 D 7.86 4.22 0.00 2.67 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 13 V 7.39 3.49 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.85 0.00 0.00 14 E 7.78 3.70 0.00 1.77 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 2.57 0.00 15 A 8.08 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.38 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.56 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.09 0.00 0.00 18 N 7.94 4.29 0.00 2.87 2.80 0.00 0.00 6.73 8.48 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 19 S 8.28 4.11 0.00 3.90 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.27 4.06 0.00 1.95 1.94 1.12 0.86 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 21 V 8.07 3.74 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 1.17 0.00 0.00 1.12 0.00 0.00 22 N 8.10 4.33 0.00 2.90 3.11 0.00 0.00 6.84 6.32 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 23 L 8.15 3.98 0.00 1.97 1.92 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.54 4.01 0.00 3.36 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.11 3.85 0.00 1.91 1.58 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.35 3.98 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 27 A 8.11 3.98 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 28 S 8.33 4.31 0.00 4.21 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.16 4.67 0.00 3.25 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.16 3.81 4.17 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 0.67 0.00 0.00 31 Y 7.92 4.06 0.00 3.24 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 32 L 8.24 4.20 0.00 2.04 2.21 1.38 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.06 4.22 0.00 3.93 4.12 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 34 L 7.75 3.64 0.00 1.16 0.72 -0.37 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.09 3.71 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 0.00 0.00 0.00 36 F 8.38 4.37 0.00 3.34 3.20 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 37 Y 8.41 4.09 0.00 3.30 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 38 F 8.29 4.33 0.00 3.19 3.18 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 39 D 7.80 4.59 0.00 2.72 2.99 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 40 R 7.27 3.95 0.00 1.77 1.83 0.00 3.08 0.00 0.00 2.75 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 41 D 8.72 4.41 0.00 2.78 2.81 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 0.00 0.00 0.00 0.00 42 D 7.92 4.54 0.00 2.76 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 43 V 7.63 3.87 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 0.86 0.00 0.00 0.42 0.00 0.00 44 A 8.20 3.85 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 45 L 7.87 4.76 0.00 1.97 1.65 1.17 0.82 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 46 E 8.66 4.04 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 47 G 8.08 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 48 V 7.64 3.45 1.60 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 0.32 0.00 0.00 0.77 0.00 0.00 49 S 8.30 4.22 0.00 4.06 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 50 H 8.76 3.98 0.00 3.33 3.44 0.00 5.66 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 51 F 8.30 4.11 0.00 3.05 2.94 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 52 F 8.12 4.20 0.00 3.40 3.15 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 53 R 8.22 4.02 0.00 1.90 1.91 0.00 2.73 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 54 E 7.93 3.90 0.00 1.92 1.80 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 2.19 2.40 0.00 55 L 7.14 3.71 0.00 0.80 0.53 0.13 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.57 4.08 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 0.00 0.00 0.00 0.00 0.00 57 E 8.00 3.95 0.00 2.19 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 2.27 2.35 0.00 58 E 8.05 3.97 0.00 2.11 1.94 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 2.24 2.46 0.00 59 K 7.91 4.34 0.00 2.18 2.20 0.00 1.78 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.75 1.85 7.81 60 R 7.85 3.33 0.00 1.93 1.98 0.00 3.12 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 61 E 8.20 3.92 0.00 1.99 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 2.25 2.32 0.00 62 G 7.57 3.57 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 0.00 0.00 0.00 63 Y 7.85 4.25 0.00 3.32 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 64 E 7.82 4.01 0.00 1.91 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 2.30 1.94 0.00 65 R 7.94 4.00 0.00 2.05 2.21 0.00 2.34 0.00 0.00 2.62 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 66 L 7.83 4.44 0.00 2.09 1.83 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.18 4.19 0.00 2.01 1.83 1.35 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.25 3.98 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 69 M 7.75 3.76 0.00 1.73 1.32 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 70 Q 7.79 3.94 0.00 2.46 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 71 N 7.95 4.32 0.00 2.89 2.81 0.00 0.00 7.10 7.08 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 72 Q 7.95 3.98 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 73 R 7.36 3.99 0.00 0.78 0.66 0.00 2.95 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.00 74 G 7.67 4.03 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 0.00 0.00 0.00 75 G 7.41 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 76 R 8.70 4.48 0.00 1.75 1.81 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 77 A 8.50 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.08 4.45 0.00 1.52 1.50 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.44 4.84 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.34 4.74 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 81 D 8.40 4.41 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.99 4.18 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.90 0.00 0.00 83 K 8.47 4.12 0.00 1.75 1.76 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 84 K 8.39 4.34 0.00 1.82 1.86 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.43 7.81 85 P 0.00 4.36 0.00 2.40 2.25 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 86 A 8.64 4.13 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 87 E 7.01 4.32 0.00 1.16 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 1.47 1.47 0.00 88 D 8.03 4.64 0.00 2.48 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 89 E 7.23 4.57 0.00 1.75 1.88 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 2.33 2.26 0.00 90 W 6.40 4.23 0.00 2.31 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 91 G 7.33 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 0.00 0.00 0.00 92 K 8.35 4.82 0.00 1.91 1.82 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.51 7.81 93 T 8.67 4.14 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 1.18 0.00 0.00 94 P 0.00 4.35 0.00 2.22 2.16 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 95 D 8.53 4.50 0.00 2.93 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 96 A 8.15 4.10 1.67 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 97 M 8.68 4.27 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 98 K 8.21 4.06 0.00 2.11 1.90 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.71 7.81 99 A 7.96 4.05 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 0.00 0.00 0.00 0.00 0.00 100 A 8.09 3.90 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 8.52 3.99 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 102 A 7.78 4.01 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 0.00 103 L 8.30 3.87 0.00 1.65 1.84 0.87 0.54 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 0.00 104 E 8.54 4.00 0.00 2.22 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 2.69 2.60 0.00 105 K 8.10 4.22 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 106 K 7.96 3.90 0.00 1.93 2.00 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 107 L 7.89 3.86 0.00 1.75 1.43 0.56 0.04 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 0.00 108 N 8.60 4.37 0.00 3.06 2.83 0.00 0.00 6.92 6.80 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 0.00 109 Q 8.00 4.05 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 110 A 7.96 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 0.00 111 L 8.34 3.96 0.00 1.86 1.77 1.02 0.28 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 0.00 112 L 8.01 4.05 0.00 1.86 1.73 0.93 1.07 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 0.00 113 D 7.94 4.43 0.00 3.01 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 0.00 114 L 8.02 3.99 0.00 1.91 1.90 0.96 0.84 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 0.00 115 H 8.57 4.15 0.00 3.30 3.44 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.07 4.10 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 0.00 117 L 8.10 4.00 0.00 1.92 1.92 0.91 1.04 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 0.00 118 G 8.24 3.70 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 0.00 0.00 0.00 119 S 8.32 4.13 0.00 4.06 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 0.00 120 A 7.65 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.06 4.15 0.00 1.92 1.97 0.00 3.45 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 122 T 7.18 3.47 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 1.22 0.00 0.00 123 D 8.10 4.89 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 0.00 124 P 0.00 4.32 0.00 2.33 2.32 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 125 H 8.24 4.19 0.00 3.22 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.11 4.04 0.00 2.04 1.92 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 C 7.91 4.00 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.31 4.38 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.33 4.26 0.00 3.04 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 0.00 130 L 8.05 4.11 0.00 2.04 1.84 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.21 3.98 0.00 2.18 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 2.39 2.62 0.00 132 T 7.71 3.77 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 0.90 0.00 0.00 133 H 7.27 4.52 0.00 1.97 2.65 0.00 5.59 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.47 4.95 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.40 3.98 0.00 1.70 1.74 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.85 4.37 0.00 2.76 2.64 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 0.00 0.00 0.00 137 E 7.98 4.08 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 2.28 2.54 0.00 138 E 8.10 4.05 0.00 2.31 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 2.61 2.55 0.00 139 V 7.84 3.62 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 1.16 0.00 0.00 0.95 0.00 0.00 140 K 7.99 3.96 0.00 1.88 1.84 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.61 7.81 141 L 7.56 3.98 0.00 1.92 1.84 0.87 1.07 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 0.00 142 I 8.23 3.69 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.93 0.00 0.00 143 K 8.31 3.88 0.00 1.92 2.01 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 144 K 7.92 3.97 0.00 2.05 1.99 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.46 7.81 145 M 8.29 4.29 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.78 0.00 146 G 8.43 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 0.00 0.00 0.00 147 D 7.97 4.40 0.00 2.83 2.64 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 0.00 0.00 0.00 148 H 7.76 4.20 0.00 3.26 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.37 3.99 0.00 1.82 1.75 0.96 0.81 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 0.00 150 T 7.75 3.86 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 0.00 151 N 7.98 4.45 0.00 2.84 2.87 0.00 0.00 7.08 7.43 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 0.00 152 L 8.28 4.15 0.00 1.81 1.72 0.90 0.76 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 0.00 153 H 8.35 4.08 0.00 3.22 3.50 0.00 5.76 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 0.00 154 R 7.64 4.05 0.00 1.95 2.16 0.00 3.31 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 L 7.76 4.32 0.00 1.82 1.56 0.91 0.71 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