NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3500 8.3044 120.3283 54.5434 34.1352 174.6593 1 V 4.0908 7.6697 118.3695 60.4659 31.9907 173.2888 2 L 4.4197 8.1452 127.7431 53.6273 43.7994 177.3875 3 S 4.4512 8.9128 116.8648 58.0886 65.1421 175.2719 4 E 4.2428 8.8859 122.4798 59.7453 29.2138 179.9228 5 G 3.6674 8.0960 105.1772 47.8235 0.0000 175.4468 6 E 3.9288 8.2912 120.9681 59.0034 29.3895 179.4920 7 W 4.3287 8.0488 118.9749 59.7005 29.0389 178.2313 8 Q 4.0684 8.4222 119.5835 59.3609 28.6043 178.5486 9 L 4.0681 8.0447 119.9077 57.7073 41.6539 179.6245 10 V 3.7552 8.0210 118.1607 66.2757 31.5749 178.1155 11 L 4.3475 8.4868 118.4123 57.3902 41.3102 179.0127 12 H 4.2492 8.5737 119.1892 59.2849 30.0066 177.7059 13 V 3.4988 7.9412 120.6659 64.3008 31.2809 178.1248 14 W 3.8877 8.4009 129.0715 60.1126 30.2652 177.7477 15 A 4.0198 7.8901 120.2300 54.9507 17.9791 179.4712 16 K 3.9145 7.3244 116.7569 59.4463 32.0293 179.5963 17 V 2.7234 7.0182 118.2140 65.7461 30.9929 177.6582 18 E 3.9255 7.4271 115.9657 58.0974 29.3898 178.4557 19 A 4.2165 7.3583 120.0108 53.6439 20.1611 177.6303 20 D 4.6651 7.8258 116.7078 52.2255 42.6968 175.5728 21 V 3.4519 7.9132 123.4046 65.6759 32.0933 176.7614 22 A 4.0888 8.0061 120.1885 55.0770 18.2308 179.7321 23 G 3.7960 8.2812 105.5203 47.8039 0.0000 175.7141 24 H 4.1398 8.2365 119.1093 58.3628 28.6834 178.2239 25 G 3.5553 8.4489 107.9748 47.8140 0.0000 175.6195 26 Q 3.8848 8.3742 122.6482 58.8678 29.0498 177.8930 27 D 4.2721 8.1443 119.9704 57.4730 40.7543 178.9830 28 I 3.6720 7.8390 120.2552 64.3647 37.0356 178.5806 29 L 3.4738 7.7963 119.8203 57.4473 41.3418 179.6013 30 I 3.5680 7.7281 120.1086 64.2178 36.9470 178.4231 31 R 3.7922 7.9697 119.6006 59.1237 29.8064 178.1687 32 L 3.8926 7.8889 120.3250 58.4628 42.2241 179.1898 33 F 4.5142 7.8925 117.5473 60.1218 38.4941 177.7504 34 K 3.9630 7.9412 118.9886 59.5720 32.1525 178.7864 35 S 4.2929 8.1786 114.5952 60.2381 64.2444 174.4255 36 H 4.6167 8.2620 118.4711 52.1727 29.2422 172.0057 37 P 4.8823 0.0000 0.0000 64.4897 31.4055 177.5770 38 E 4.1061 8.2189 116.4223 59.3432 29.4285 179.0608 39 T 3.8289 8.1768 111.1143 64.3521 68.8175 176.2766 40 L 3.4188 7.9266 123.5210 57.8124 41.7840 178.4157 41 E 4.1607 7.8155 117.2004 58.2189 29.4836 178.5898 42 K 4.3791 7.9371 117.6900 56.8698 32.6881 176.7726 43 F 4.4746 8.0662 118.7567 55.1453 39.1777 175.5106 44 D 4.3213 8.5201 126.6952 57.0503 40.7890 178.6160 45 R 3.9529 7.5632 113.4276 57.4015 29.9886 176.7520 46 F 5.0464 7.8689 116.5219 57.1617 40.6473 176.9916 47 K 4.0936 8.0528 119.1534 58.7347 32.6683 177.6039 48 H 4.4029 8.1446 114.5583 57.3553 29.0951 175.5686 49 L 4.0716 7.6024 121.4077 54.9315 41.4084 176.8829 50 K 4.4732 9.4619 123.2049 56.5787 33.7609 176.8234 51 T 4.7152 7.3112 108.6201 58.7773 73.0718 173.8770 52 E 3.8907 8.8524 122.1943 59.6801 29.6752 179.1373 53 A 3.9765 7.9128 120.1073 55.1644 18.3002 179.2185 54 E 3.9426 7.9257 116.1144 59.8751 29.8392 179.2142 55 M 4.1641 8.0704 118.6844 58.2485 31.7851 178.6898 56 K 3.9131 8.1297 118.9836 59.2050 32.4607 177.9816 57 A 4.4697 7.5735 118.1587 52.0869 18.5756 177.7152 58 S 4.3412 7.8049 113.1341 57.5172 62.8973 174.2751 59 E 4.0420 8.7977 130.4207 59.3955 29.2996 178.7488 60 D 4.5585 8.2419 117.9073 57.3052 41.3440 177.8354 61 L 3.7871 8.3108 120.9637 57.9072 41.9698 179.1654 62 K 3.9620 7.7799 118.0283 59.3901 32.0191 179.3850 63 K 3.9510 8.1395 118.7424 59.4636 31.9955 179.4934 64 W 4.1919 8.8032 119.2456 59.2768 28.9968 178.7955 65 G 3.7192 8.4993 106.3087 47.8802 0.0000 175.8908 66 V 3.6292 7.7589 120.6359 65.9316 31.4215 178.0832 67 T 3.7917 7.8336 115.5241 66.6701 68.2356 176.6743 68 V 3.7185 8.0410 119.8183 66.2741 31.6569 178.1828 69 L 4.2632 8.1799 118.5122 57.7958 41.4139 179.6584 70 T 3.9630 8.4200 116.3314 66.5328 68.4384 176.5548 71 A 3.9944 7.8414 122.8328 55.0738 18.3750 179.4802 72 L 3.7266 8.2350 119.1945 57.9954 42.0986 179.3937 73 G 3.1544 8.5540 105.9804 47.6091 0.0000 175.5484 74 A 3.9911 7.5606 121.7935 54.7190 18.6235 179.5783 75 I 3.7613 7.5146 118.1801 64.6266 37.2258 178.6353 76 L 3.9912 7.6883 119.8111 57.7394 41.1701 179.7227 77 K 3.9570 7.6522 117.0287 58.5476 32.2600 178.6813 78 K 3.9481 7.8139 117.9480 55.8839 32.5245 176.6275 79 K 2.0000 8.2820 118.3675 56.3460 29.8588 175.5609 80 G 3.9638 7.8847 106.1337 45.7791 0.0000 174.0208 81 H 4.7345 7.3460 119.1235 55.3899 27.5496 174.9145 82 H 5.6020 7.7155 110.7709 54.3237 29.3228 176.4661 83 E 3.9903 8.5780 120.8966 60.5337 28.8074 178.6199 84 A 4.0263 7.9029 120.0399 54.7716 17.5869 179.0354 85 E 4.0921 8.1616 116.6124 59.3569 29.6313 179.1615 86 L 4.3113 8.2622 118.7799 56.8131 41.7703 178.7014 87 K 3.8297 7.7448 119.8771 59.4492 32.0603 176.8851 88 P 4.3196 0.0000 0.0000 65.5215 31.3449 178.1784 89 L 4.0045 7.5568 117.4212 57.9393 41.9852 178.6657 90 A 4.1021 8.5486 121.1657 55.1868 18.4308 179.1975 91 Q 3.7496 7.9457 118.0805 59.4500 29.0535 178.9654 92 S 3.9969 8.0124 115.0936 61.7637 63.2584 176.0727 93 H 4.1484 8.7117 120.0341 57.9629 28.2399 177.7763 94 A 3.1783 7.5460 122.5848 54.5413 18.2165 178.9608 95 T 3.7500 7.0101 104.9376 61.5590 69.8296 174.6726 96 K 4.2356 7.3907 119.3910 58.3018 33.9934 176.8587 97 H 4.2155 7.9422 114.8554 56.5288 29.3690 175.6631 98 K 3.7816 7.6527 117.1684 57.2572 28.7605 175.8834 99 I 4.2416 8.1758 118.9039 58.9927 38.4592 175.1947 100 P 4.5335 0.0000 0.0000 62.0238 32.0459 177.7123 101 I 3.5045 8.3200 122.1608 64.3684 36.8417 178.7749 102 K 3.6413 7.8254 120.0372 59.6699 31.9609 178.2695 103 Y 3.9879 7.8283 116.9105 60.7399 37.7027 178.2167 104 L 4.2219 7.7745 119.7082 57.3976 41.8092 178.8155 105 E 3.9672 8.2154 119.7850 59.2498 29.5568 178.7711 106 F 4.4767 7.8911 117.8782 60.8365 38.8968 177.5327 107 I 3.8923 8.1715 118.1384 63.9169 37.7781 178.0180 108 S 4.2227 8.4307 116.4019 61.7626 62.6620 176.5348 109 E 4.0935 8.5401 120.9854 59.3422 29.2108 179.2897 110 A 4.0506 8.1097 120.9670 55.0116 18.3585 179.7905 111 I 3.7005 8.1097 118.5652 64.7199 37.2478 178.7298 112 I 3.8465 7.9269 120.6343 64.5768 36.9252 177.9371 113 H 4.1477 8.4833 119.1704 59.4300 29.6829 177.5677 114 V 3.5894 7.9480 119.9709 65.8460 31.3378 178.0110 115 L 3.7634 7.9525 118.9725 57.8518 41.0500 178.9663 116 H 4.5247 8.1039 117.6550 59.2605 29.9024 177.2016 117 S 4.2125 7.8684 115.3395 61.1996 63.1409 176.1098 118 R 4.1114 7.8769 119.8518 56.9487 31.4949 176.2371 119 H 5.0038 8.1555 115.8827 53.4655 29.5496 172.6045 120 P 4.2665 0.0000 0.0000 65.9483 31.4825 178.5682 121 G 3.7385 8.1036 106.3157 47.3203 0.0000 173.7403 122 N 5.0429 8.1127 115.1771 52.8939 39.5694 174.9760 123 F 4.9794 7.8494 118.5342 56.2708 39.7707 174.2691 124 G 3.9275 7.6055 109.6686 44.1889 0.0000 171.7426 125 A 3.9001 8.4641 120.6060 55.3940 18.3952 179.8980 126 D 4.2065 7.9291 116.6072 57.4324 40.9785 178.7315 127 A 3.9725 7.7330 120.8061 55.0976 18.3818 179.4891 128 Q 3.3645 7.8455 117.0703 58.8036 28.7190 179.3230 129 G 3.4964 8.0534 106.4808 47.6417 0.0000 175.6827 130 A 3.8627 7.9138 123.2009 55.0991 18.4005 179.4591 131 M 4.0487 8.2556 116.8934 58.6241 32.2694 177.9152 132 N 4.3316 8.4502 117.5407 56.7316 39.1406 177.0358 133 K 3.9036 8.0866 119.6238 59.3450 32.0550 179.2655 134 A 3.8270 7.8419 121.1268 54.9846 18.2561 179.6922 135 L 4.1661 8.2073 117.6589 57.6687 41.6518 179.2318 136 E 3.9662 8.4866 119.6800 58.9719 29.4701 178.5650 137 L 3.9614 8.1436 120.5089 58.1073 42.1335 178.5087 138 F 4.2015 8.3113 120.5714 61.6700 39.1925 177.3727 139 R 3.3620 8.1234 117.3899 58.9815 29.8435 179.3016 140 K 3.8870 8.2260 118.5217 59.5331 32.0524 179.2576 141 D 4.3687 8.3515 119.5408 57.3033 40.6490 178.6725 142 I 3.6780 7.7844 119.1975 63.6614 38.0233 177.7287 143 A 3.5337 7.9749 121.8907 55.0005 18.0977 179.5013 144 A 3.9790 8.0370 119.2319 55.0588 18.4205 179.8267 145 K 3.9617 8.1024 118.3963 59.6281 32.1715 178.5402 146 Y 4.2090 8.5687 117.6132 61.2959 37.8138 179.0513 147 K 4.3660 8.0767 120.1480 58.9847 31.9381 179.0130 148 E 3.9672 8.2863 118.7699 59.2104 29.6328 178.3247 149 L 4.3628 7.9002 116.9672 55.4092 41.8646 177.7074 150 G 3.9547 8.1813 107.7603 45.1830 0.0000 172.9023 151 Y 4.4935 8.4795 116.8420 55.7295 40.9783 174.8762 152 Q 4.6027 8.6657 124.4749 54.3339 29.2878 175.7392 153 G 3.7683 8.6600 113.9748 45.8604 0.0000 172.2180 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 0 M 8.30 4.35 0.00 2.07 2.22 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 2.52 2.57 0.00 1 V 7.67 4.09 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 0.92 0.00 0.00 0.97 0.00 0.00 2 L 8.15 4.42 0.00 1.11 1.02 0.69 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.91 4.45 0.00 4.03 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 4 E 8.89 4.24 0.00 2.08 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 0.00 2.48 2.45 0.00 5 G 8.10 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 6 E 8.29 3.93 0.00 1.97 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 2.23 2.28 0.00 7 W 8.05 4.33 0.00 3.56 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 8 Q 8.42 4.07 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 9 L 8.04 4.07 0.00 1.94 1.76 0.90 0.86 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 10 V 8.02 3.76 2.48 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 1.22 0.00 0.00 0.93 0.00 0.00 11 L 8.49 4.35 0.00 1.85 1.81 0.93 1.37 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 12 H 8.57 4.25 0.00 3.39 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.94 3.50 2.26 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 0.99 0.00 0.00 0.79 0.00 0.00 14 W 8.40 3.89 0.00 3.68 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 15 A 7.89 4.02 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 16 K 7.32 3.91 0.00 1.58 1.58 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.37 7.81 17 V 7.02 2.72 0.67 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 -0.02 0.00 0.00 0.08 0.00 0.00 18 E 7.43 3.93 0.00 2.05 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 2.31 2.38 0.00 19 A 7.36 4.22 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 20 D 7.83 4.67 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.91 3.45 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 1.06 0.00 0.00 0.91 0.00 0.00 22 A 8.01 4.09 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 23 G 8.28 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 0.00 0.00 0.00 24 H 8.24 4.14 0.00 3.32 3.22 0.00 5.82 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 25 G 8.45 3.56 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 0.00 26 Q 8.37 3.88 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 D 8.14 4.27 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.84 3.67 2.02 0.00 0.00 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 1.52 0.77 0.90 0.00 0.00 29 L 7.80 3.47 0.00 1.32 0.88 0.80 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.73 3.57 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 0.87 0.00 0.00 31 R 7.97 3.79 0.00 1.93 2.05 0.00 3.01 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 32 L 7.89 3.89 0.00 1.72 1.50 1.06 1.27 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 33 F 7.89 4.51 0.00 2.99 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 34 K 7.94 3.96 0.00 1.78 1.98 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.39 1.43 7.81 35 S 8.18 4.29 0.00 3.78 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 36 H 8.26 4.62 0.00 2.88 2.66 0.00 5.62 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 37 P 0.00 4.88 0.00 2.14 2.09 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 38 E 8.22 4.11 0.00 2.27 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 0.00 2.27 2.51 0.00 39 T 8.18 3.83 4.44 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 0.87 0.00 0.00 40 L 7.93 3.42 0.00 1.41 1.68 -0.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.82 4.16 0.00 2.11 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 2.36 2.52 0.00 42 K 7.94 4.38 0.00 1.83 1.54 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.71 1.88 7.81 43 F 8.07 4.47 0.00 3.11 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 44 D 8.52 4.32 0.00 2.56 2.67 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 45 R 7.56 3.95 0.00 1.47 1.70 0.00 2.21 0.00 0.00 2.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 46 F 7.87 5.05 0.00 2.84 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 47 K 8.05 4.09 0.00 1.84 2.14 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.44 7.81 48 H 8.14 4.40 0.00 3.31 3.46 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.60 4.07 0.00 1.63 1.59 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.46 4.47 0.00 1.76 1.81 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.57 7.81 51 T 7.31 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 1.20 0.00 0.00 52 E 8.85 3.89 0.00 2.04 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 2.36 2.37 0.00 53 A 7.91 3.98 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 54 E 7.93 3.94 0.00 2.12 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 2.35 2.35 0.00 55 M 8.07 4.16 0.00 2.05 2.25 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 2.79 2.54 0.00 56 K 8.13 3.91 0.00 1.81 2.01 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.57 4.47 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 58 S 7.80 4.34 0.00 3.97 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 59 E 8.80 4.04 0.00 2.08 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 2.43 2.34 0.00 60 D 8.24 4.56 0.00 3.00 3.06 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 61 L 8.31 3.79 0.00 1.54 1.71 -0.09 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.96 0.00 2.03 1.85 0.00 1.93 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.69 7.81 63 K 8.14 3.95 0.00 2.12 1.78 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 64 W 8.80 4.19 0.00 3.74 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 65 G 8.50 3.72 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 0.00 0.00 0.00 66 V 7.76 3.63 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 1.08 0.00 0.00 1.01 0.00 0.00 67 T 7.83 3.79 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 1.11 0.00 0.00 68 V 8.04 3.72 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 1.22 0.00 0.00 1.25 0.00 0.00 69 L 8.18 4.26 0.00 1.84 1.94 0.94 0.79 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 70 T 8.42 3.96 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 71 A 7.84 3.99 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 72 L 8.24 3.73 0.00 1.61 1.62 0.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.55 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 0.00 0.00 0.00 74 A 7.56 3.99 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 75 I 7.51 3.76 1.82 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 1.53 0.56 0.88 0.00 0.00 76 L 7.69 3.99 0.00 1.29 1.56 -0.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 3.96 0.00 1.65 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.56 7.81 78 K 7.81 3.95 0.00 1.85 1.78 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.62 1.77 7.81 79 K 8.28 2.00 0.00 1.07 0.74 0.00 1.30 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.33 0.93 7.81 80 G 7.88 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 0.00 0.00 0.00 81 H 7.35 4.73 0.00 3.14 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.72 5.60 0.00 3.29 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.58 3.99 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 84 A 7.90 4.03 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 85 E 8.16 4.09 0.00 2.26 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 2.39 2.47 0.00 86 L 8.26 4.31 0.00 1.74 1.75 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.74 3.83 0.00 1.86 2.01 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 88 P 0.00 4.32 0.00 2.34 2.31 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 89 L 7.56 4.00 0.00 1.84 1.80 1.00 1.40 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 90 A 8.55 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 91 Q 7.95 3.75 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 92 S 8.01 4.00 0.00 3.99 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 93 H 8.71 4.15 0.00 3.49 3.59 0.00 5.81 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 94 A 7.55 3.18 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.01 3.75 3.84 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 0.32 0.00 0.00 96 K 7.39 4.24 0.00 1.52 1.68 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.23 1.39 7.81 97 H 7.94 4.22 0.00 3.04 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.65 3.78 0.00 1.84 1.80 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.57 7.81 99 I 8.18 4.24 2.08 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 1.37 0.98 1.14 0.00 0.00 100 P 0.00 4.53 0.00 1.81 1.77 0.00 2.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.82 0.00 101 I 8.32 3.50 1.67 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.69 0.00 0.00 102 K 7.83 3.64 0.00 1.70 1.60 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 0.68 7.81 103 Y 7.83 3.99 0.00 3.19 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 0.00 104 L 7.77 4.22 0.00 1.81 1.81 0.72 1.05 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 0.00 105 E 8.22 3.97 0.00 1.95 1.96 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 2.53 2.39 0.00 106 F 7.89 4.48 0.00 3.21 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 0.00 107 I 8.17 3.89 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 1.13 0.00 0.00 108 S 8.43 4.22 0.00 4.18 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 0.00 109 E 8.54 4.09 0.00 2.32 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 2.43 2.61 0.00 110 A 8.11 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.11 3.70 2.13 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 1.64 0.76 1.06 0.00 0.00 112 I 7.93 3.85 2.14 0.00 0.00 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 1.68 0.94 1.17 0.00 0.00 113 H 8.48 4.15 0.00 3.35 3.50 0.00 5.78 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 0.00 114 V 7.95 3.59 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 0.90 0.00 0.00 1.02 0.00 0.00 115 L 7.95 3.76 0.00 0.85 0.32 0.72 0.54 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 0.00 116 H 8.10 4.52 0.00 3.51 3.63 0.00 5.95 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 0.00 117 S 7.87 4.21 0.00 4.01 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 0.00 118 R 7.88 4.11 0.00 1.66 1.68 0.00 3.07 0.00 0.00 2.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 119 H 8.16 5.00 0.00 3.22 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.27 0.00 2.16 2.15 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 121 G 8.10 3.74 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 0.00 0.00 0.00 122 N 8.11 5.04 0.00 2.79 2.90 0.00 0.00 6.71 7.19 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 0.00 123 F 7.85 4.98 0.00 2.94 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 0.00 124 G 7.61 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 0.00 125 A 8.46 3.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.93 4.21 0.00 2.65 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 0.00 127 A 7.73 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.85 3.36 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 1.23 1.72 0.00 129 G 8.05 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 0.00 0.00 0.00 0.00 130 A 7.91 3.86 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 0.00 131 M 8.26 4.05 0.00 2.45 2.40 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.87 0.00 132 N 8.45 4.33 0.00 2.94 2.94 0.00 0.00 7.19 7.51 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 0.00 133 K 8.09 3.90 0.00 1.83 1.68 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.53 7.81 134 A 7.84 3.83 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.21 4.17 0.00 1.79 1.85 1.02 0.62 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 0.00 136 E 8.49 3.97 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 137 L 8.14 3.96 0.00 1.94 1.98 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.31 4.20 0.00 3.16 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 0.00 139 R 8.12 3.36 0.00 1.96 1.80 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.99 0.00 140 K 8.23 3.89 0.00 1.77 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.60 7.81 141 D 8.35 4.37 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.78 3.68 1.45 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 1.55 1.62 0.41 0.00 0.00 143 A 7.97 3.53 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.04 3.98 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 0.00 145 K 8.10 3.96 0.00 2.03 2.05 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.59 7.81 146 Y 8.57 4.21 0.00 3.16 3.23 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 0.00 147 K 8.08 4.37 0.00 2.02 1.88 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.46 7.81 148 E 8.29 3.97 0.00 2.09 2.15 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 2.35 2.38 0.00 149 L 7.90 4.36 0.00 1.99 1.87 0.89 0.85 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 0.00 150 G 8.18 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 0.00 0.00 0.00 151 Y 8.48 4.49 0.00 3.11 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 0.00 152 Q 8.67 4.60 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 153 G 8.66 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00