NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3132 8.2549 119.7029 55.8128 31.4706 176.7067 8 K 4.2253 8.5383 124.5655 54.8323 29.4362 174.2817 9 T 4.6881 7.2718 111.3406 59.1164 72.9352 175.8044 10 S 4.0077 8.8754 119.3412 61.4198 63.0118 174.6843 11 S 4.2861 8.4273 116.4583 58.0060 62.4731 173.0568 12 L 3.4978 7.5940 126.0737 52.0331 40.7644 177.9591 13 S 4.2808 8.6702 120.9481 59.9030 62.7563 176.7930 14 I 3.4402 7.1930 123.0534 64.1907 36.6782 178.0586 15 L 4.0055 7.7830 118.2135 57.1539 41.4225 179.2150 16 A 4.0863 7.5974 120.0150 55.0752 18.5876 178.8770 17 I 3.7325 8.5660 117.3067 63.5443 37.6813 176.7793 18 A 4.4636 7.3621 121.6697 51.2167 19.6410 176.8343 19 G 3.7521 8.3182 106.4818 45.9546 0.0000 174.2144 20 V 4.0232 7.3789 119.3467 61.3438 32.5746 174.6991 21 E 4.6874 8.3030 125.8743 53.2175 31.7691 173.7103 22 P 4.5332 0.0000 0.0000 62.1471 31.8808 175.6847 23 Y 3.9192 8.8487 123.9773 58.1316 38.9933 176.6871 24 Q 4.1741 7.4930 126.9951 53.8462 27.5952 173.5829 25 E 4.2242 8.2362 119.3382 55.9589 29.9422 177.7433 26 K 4.2267 10.7800 125.0746 54.7393 32.6072 174.4433 27 P 3.9929 0.0000 0.0000 65.5783 31.7648 176.8967 28 G 4.1486 7.6621 106.9392 45.4572 0.0000 173.2476 29 E 4.1128 7.6641 119.2549 55.5624 29.9445 177.0828 30 E 4.2942 8.6179 123.8463 55.8379 32.0865 177.1735 31 Y 4.4365 9.2290 123.0566 60.1683 37.5391 179.1471 32 M 3.9598 9.1092 114.6869 54.3741 31.3202 174.1423 33 N 4.8423 7.7512 122.6828 50.5797 41.2952 175.3446 34 E 3.9174 8.7437 118.9391 59.9800 29.2800 179.7167 35 A 4.0571 8.0843 119.7953 55.1329 18.5015 179.6338 36 Q 3.3912 8.3476 116.6010 58.9845 28.7819 178.8105 37 L 4.1754 8.3197 119.9261 57.4396 41.6178 179.3865 38 A 3.9472 8.0156 121.1952 55.0017 18.3200 179.2269 39 H 3.9074 7.7063 117.0502 59.6009 29.9226 177.6958 40 F 4.2289 7.9236 119.3473 60.0598 38.5789 177.8463 41 R 3.7462 8.1856 119.1383 59.2231 29.7892 178.4705 42 R 3.8346 7.8350 118.4475 59.4247 30.0291 178.4323 43 I 3.6888 7.5270 119.2608 64.5503 37.0899 178.4293 44 L 4.2425 8.2182 119.8294 57.8997 41.3496 179.5475 45 E 3.9453 8.5120 118.4523 59.3567 29.4340 179.2549 46 A 4.0138 8.3718 121.1777 54.8251 18.4524 179.5182 47 W 4.3194 8.5421 127.0449 60.6744 30.8374 178.1671 48 R 3.7441 8.3207 118.8593 59.6267 29.6622 178.2823 49 N 4.3796 8.4923 116.4067 56.2424 38.4627 177.5628 50 Q 4.0377 8.2423 119.6242 58.9866 28.8666 178.6157 51 L 4.0234 8.0733 119.9846 57.9116 41.6119 179.8266 52 R 3.9176 8.1469 117.9879 59.4174 29.9976 178.9046 53 D 4.4027 8.0649 118.2464 57.2537 40.6941 178.7197 54 E 3.9775 8.1032 119.3142 59.3697 29.4165 179.5070 55 V 3.5632 7.9579 118.3599 65.9542 31.4970 177.9222 56 D 4.3192 8.1130 118.7703 57.4358 40.6219 178.9184 57 R 3.9316 8.1118 118.5778 59.3968 29.9937 179.2790 58 T 3.9011 8.0845 115.6606 66.7430 68.5261 176.8075 59 V 3.6136 7.9240 120.1711 66.4039 31.4899 178.2070 60 T 3.9228 8.1472 115.5855 66.7157 68.2035 176.2808 61 H 4.1695 8.4586 120.4657 59.5845 29.9965 177.1660 62 M 4.4720 8.4012 122.2602 58.1309 31.6127 178.8249 63 Q 4.1149 8.2924 118.0997 58.8562 28.8219 178.3288 64 D 4.3339 8.0549 120.1643 57.2152 40.7862 178.6100 65 E 3.8900 8.4311 119.1776 59.2921 29.2643 179.2272 66 A 3.9839 7.8534 119.3841 54.4529 18.4058 178.9716 67 A 3.9577 7.2678 118.6917 53.3249 19.5852 177.6446 68 N 4.0617 7.5238 113.9292 52.0247 39.7672 174.5898 69 F 4.8782 7.9382 120.3675 55.1504 40.6943 174.2432 70 P 4.6065 0.0000 0.0000 61.8486 32.2421 175.8530 71 D 4.6198 8.4909 120.1756 53.4062 41.5421 176.1912 72 P 4.1745 0.0000 0.0000 66.0050 31.6763 178.8927 73 V 3.6713 7.8601 116.5187 65.6361 31.6579 176.6184 74 D 4.8384 8.3488 118.3283 54.1555 40.7682 178.4619 75 R 3.8409 7.6116 120.6139 59.6635 30.3167 178.4727 76 A 3.9933 8.1028 119.7511 55.0985 18.2678 179.2406 77 A 4.0434 7.9272 118.9781 55.0374 18.5533 179.5118 78 Q 3.9268 7.8455 118.2893 59.2828 29.2076 177.8914 79 E 3.9388 8.3692 120.4954 59.1789 29.5268 178.3822 80 E 3.9573 8.1126 118.9363 59.4525 29.7879 178.5290 81 E 4.0241 8.2743 119.2538 59.0044 29.6605 178.5110 82 F 4.0518 8.6153 121.6939 61.0589 39.3902 177.3335 83 S 4.2289 8.4265 114.1085 61.3265 62.7939 176.4593 84 L 3.9305 7.7422 122.5482 57.4138 41.3605 178.8487 85 E 3.7956 8.0073 119.1425 59.2570 29.5111 178.3835 86 L 3.7812 7.6005 119.9458 58.2951 41.8882 178.9386 87 R 3.8774 7.9427 116.6868 59.3455 30.3796 178.0682 88 N 4.3607 8.4285 116.8902 56.8772 39.0558 176.3421 89 R 3.8436 8.4902 120.2129 60.0211 29.5778 178.1327 90 D 4.4128 8.2154 117.9072 57.0534 40.6988 179.0801 91 R 3.9720 8.0278 119.1122 59.1984 30.0437 178.7155 92 E 3.9422 8.1014 117.9162 59.4918 29.5699 179.4796 93 R 3.9116 7.8724 117.6651 59.0534 30.0602 179.3229 94 K 3.9563 7.6178 117.3987 59.1199 31.9666 179.1019 95 L 3.7952 7.8466 120.6372 58.1982 41.9482 179.0069 96 I 3.4542 7.8752 120.0186 64.4494 37.0242 178.6410 97 K 4.2061 7.8472 120.2486 58.5477 31.6936 179.4693 98 K 3.8958 7.8944 120.1606 59.4340 32.1632 178.9387 99 I 3.6041 7.7822 120.3733 64.4746 36.9643 178.1826 100 E 3.9788 8.2383 119.4247 59.3245 29.1204 179.4269 101 K 4.0558 7.9653 119.6294 59.8512 32.3852 179.1076 102 T 4.0127 8.1916 116.3562 66.5448 68.3761 176.7544 103 L 4.0253 8.4728 121.1480 57.3083 41.5217 179.4591 104 K 4.1178 7.7864 118.7361 58.8744 31.7883 179.4430 105 K 4.1188 7.9086 118.6822 59.1633 31.9392 179.4267 106 V 3.9045 7.7402 118.3738 66.0725 31.2991 177.6928 107 E 3.9180 7.9460 117.5977 59.2741 29.5639 177.7339 108 D 4.5358 8.4132 116.3427 53.7765 41.5938 175.7372 109 E 3.9256 8.3658 118.2759 57.9468 27.0979 173.8451 110 D 4.8787 9.3263 114.0295 53.9703 42.3451 174.2498 111 F 4.7540 8.4279 118.4738 57.3931 41.1559 175.5093 112 G 3.4706 7.8793 113.9739 45.0669 0.0000 172.4681 113 Y 4.9540 7.3895 115.7060 55.5406 41.2478 174.8988 114 C 4.4019 9.4288 123.7324 59.5900 32.0901 174.0286 115 E 4.1806 9.2149 126.9261 58.7992 29.5254 178.7224 116 S 4.2874 8.1439 113.1958 60.4568 63.5004 173.8156 117 C 4.8353 7.6374 116.5526 55.0672 31.7104 174.7111 118 G 3.7837 8.5765 109.4112 46.9089 0.0000 173.9210 119 V 3.7388 7.2690 119.8324 63.2575 32.6344 174.9388 120 E 3.8429 8.3860 124.0756 55.9423 30.3924 175.9878 121 I 4.1054 8.2261 124.2159 59.8280 38.5116 176.2440 122 G 3.8929 8.6823 114.3564 46.1999 0.0000 174.5016 123 I 3.8442 8.6194 122.7609 64.5448 37.1416 179.2661 124 R 4.1212 8.0699 118.2111 58.9955 29.8526 178.9708 125 R 3.9471 7.8570 118.4864 59.2737 30.3005 178.2794 126 L 4.1348 8.2595 118.9964 57.4266 41.3795 179.1361 127 E 4.3431 8.4526 118.5617 58.7481 29.1207 179.1489 128 A 4.2204 7.4614 120.4998 53.6679 19.8020 178.3226 129 R 4.4879 8.0949 121.3142 53.3050 30.3558 173.6050 130 P 4.8508 0.0000 0.0000 64.1794 31.5630 177.8439 131 T 4.3851 8.0599 114.1269 63.2958 68.8491 174.6232 132 A 4.0518 7.9381 125.7442 52.9794 18.9275 177.3669 133 D 4.7349 8.7527 121.2709 54.3999 42.6556 176.3085 134 L 5.0145 7.5419 116.7376 52.3159 45.2252 176.0842 135 C 4.4571 8.1319 115.5993 57.3382 32.2519 174.3592 136 I 3.6174 8.1656 120.5870 64.3872 37.3757 177.6535 137 D 4.3136 7.9467 119.0473 57.7475 40.8015 178.4516 138 C 4.1839 7.9845 116.6990 62.4114 28.1440 175.9259 139 K 3.9137 8.3363 121.6615 59.8923 31.8090 179.0894 140 T 4.8261 8.1866 117.7067 66.1364 68.2834 176.4617 141 L 3.9206 8.3516 122.5044 58.0477 42.0571 178.8867 142 A 3.9786 8.1628 120.7044 55.3228 18.3204 179.4731 143 E 3.9411 8.0906 117.0557 59.4747 29.3288 179.8083 144 I 3.6981 7.8654 119.9004 64.4850 37.1570 178.4935 145 R 4.5627 8.1434 120.5450 58.9151 29.7877 178.4127 146 E 4.1184 8.3167 118.2730 59.7481 29.4076 179.5951 147 K 3.8626 8.0558 117.9787 60.0465 32.5016 178.9201 148 Q 4.0654 7.7534 118.7942 58.7464 28.8662 178.0542 149 M 4.1830 8.6987 118.8064 58.2915 32.0154 177.2001 150 A 4.3210 8.3345 121.8751 53.7130 18.7521 177.4345 151 G 3.7131 7.9778 111.2164 45.2306 0.0000 173.1470 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 7 R 8.25 4.31 0.00 1.78 1.93 0.00 3.29 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 8 K 8.54 4.23 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 T 7.27 4.69 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 1.19 0.00 0.00 10 S 8.88 4.01 0.00 3.99 4.04 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 11 S 8.43 4.29 0.00 3.85 3.81 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 12 L 7.59 3.50 0.00 1.79 1.37 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.67 4.28 0.00 3.76 3.90 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 14 I 7.19 3.44 1.48 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.08 0.30 0.00 0.00 15 L 7.78 4.01 0.00 1.70 1.84 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.60 4.09 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 17 I 8.57 3.73 1.92 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.98 0.00 0.00 18 A 7.36 4.46 1.23 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 0.00 0.00 19 G 8.32 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 0.00 0.00 0.00 20 V 7.38 4.02 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 0.69 0.00 0.00 0.85 0.00 0.00 21 E 8.30 4.69 0.00 1.93 1.78 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 2.17 2.28 0.00 22 P 0.00 4.53 0.00 2.09 2.13 0.00 3.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 23 Y 8.85 3.92 0.00 2.56 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 24 Q 7.49 4.17 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 25 E 8.24 4.22 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 26 K 10.78 4.23 0.00 1.92 1.77 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.39 7.81 27 P 0.00 3.99 0.00 2.09 2.03 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 28 G 7.66 4.15 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 29 E 7.66 4.11 0.00 2.10 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 2.41 2.38 0.00 30 E 8.62 4.29 0.00 1.99 1.92 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 2.41 2.39 0.00 31 Y 9.23 4.44 0.00 2.95 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 32 M 9.11 3.96 0.00 2.13 1.60 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.96 0.00 33 N 7.75 4.84 0.00 3.06 2.99 0.00 0.00 6.09 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 34 E 8.74 3.92 0.00 2.04 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 0.00 2.43 2.43 0.00 35 A 8.08 4.06 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 36 Q 8.35 3.39 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.32 2.32 0.00 37 L 8.32 4.18 0.00 1.69 1.71 0.99 1.19 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 38 A 8.02 3.95 1.39 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 0.00 0.00 39 H 7.71 3.91 0.00 3.07 2.94 0.00 5.59 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 40 F 7.92 4.23 0.00 2.95 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 41 R 8.19 3.75 0.00 1.88 2.06 0.00 3.06 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 42 R 7.83 3.83 0.00 2.01 1.91 0.00 3.28 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 43 I 7.53 3.69 2.09 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.31 1.02 0.00 0.00 44 L 8.22 4.24 0.00 1.83 1.76 0.75 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.51 3.95 0.00 2.16 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 2.32 2.45 0.00 46 A 8.37 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 47 W 8.54 4.32 0.00 3.56 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 48 R 8.32 3.74 0.00 1.87 2.15 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 49 N 8.49 4.38 0.00 2.93 2.87 0.00 0.00 7.08 8.04 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 50 Q 8.24 4.04 0.00 2.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 51 L 8.07 4.02 0.00 1.77 1.65 0.42 0.83 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 52 R 8.15 3.92 0.00 2.01 1.96 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 53 D 8.06 4.40 0.00 2.97 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 54 E 8.10 3.98 0.00 2.31 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 2.34 2.54 0.00 55 V 7.96 3.56 2.20 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 1.08 0.00 0.00 1.00 0.00 0.00 56 D 8.11 4.32 0.00 2.90 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 57 R 8.11 3.93 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 58 T 8.08 3.90 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 1.18 0.00 0.00 59 V 7.92 3.61 2.20 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 1.04 0.00 0.00 0.97 0.00 0.00 60 T 8.15 3.92 4.40 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 1.22 0.00 0.00 61 H 8.46 4.17 0.00 3.27 3.65 0.00 5.60 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 62 M 8.40 4.47 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 1.86 0.00 63 Q 8.29 4.11 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 64 D 8.05 4.33 0.00 2.91 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 65 E 8.43 3.89 0.00 2.34 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.21 0.00 66 A 7.85 3.98 1.32 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 0.00 0.00 67 A 7.27 3.96 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 68 N 7.52 4.06 0.00 2.53 2.59 0.00 0.00 6.93 6.99 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 69 F 7.94 4.88 0.00 2.99 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 70 P 0.00 4.61 0.00 2.07 2.00 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 71 D 8.49 4.62 0.00 2.92 2.59 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 72 P 0.00 4.17 0.00 2.17 2.14 0.00 3.60 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 2.12 2.12 0.00 73 V 7.86 3.67 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 0.80 0.00 0.00 0.94 0.00 0.00 74 D 8.35 4.84 0.00 2.72 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 75 R 7.61 3.84 0.00 1.94 2.00 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 76 A 8.10 3.99 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 77 A 7.93 4.04 1.39 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 0.00 0.00 78 Q 7.85 3.93 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 79 E 8.37 3.94 0.00 2.07 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 2.35 2.30 0.00 80 E 8.11 3.96 0.00 2.29 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 2.34 2.34 0.00 81 E 8.27 4.02 0.00 2.32 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 2.33 2.49 0.00 82 F 8.62 4.05 0.00 3.38 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 83 S 8.43 4.23 0.00 4.16 4.29 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 84 L 7.74 3.93 0.00 1.80 1.75 0.93 1.12 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 85 E 8.01 3.80 0.00 2.12 1.69 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 2.20 2.26 0.00 86 L 7.60 3.78 0.00 1.64 1.78 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.94 3.88 0.00 1.92 1.98 0.00 3.40 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.80 0.00 88 N 8.43 4.36 0.00 2.74 3.02 0.00 0.00 6.91 7.31 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 89 R 8.49 3.84 0.00 1.91 2.12 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 90 D 8.22 4.41 0.00 2.86 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 91 R 8.03 3.97 0.00 2.04 1.96 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 92 E 8.10 3.94 0.00 2.16 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 2.40 2.40 0.00 93 R 7.87 3.91 0.00 2.02 1.94 0.00 3.09 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 94 K 7.62 3.96 0.00 1.93 1.81 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 95 L 7.85 3.80 0.00 1.76 1.55 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.88 3.45 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 1.37 0.53 0.85 0.00 0.00 97 K 7.85 4.21 0.00 1.93 1.81 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.41 7.81 98 K 7.89 3.90 0.00 1.94 1.75 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.59 7.81 99 I 7.78 3.60 1.82 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.11 0.86 0.00 0.00 100 E 8.24 3.98 0.00 2.13 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 2.29 2.47 0.00 101 K 7.97 4.06 0.00 1.90 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 102 T 8.19 4.01 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 1.50 0.00 0.00 103 L 8.47 4.03 0.00 1.78 1.69 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.79 4.12 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.80 7.81 105 K 7.91 4.12 0.00 2.13 2.15 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.81 7.81 106 V 7.74 3.90 2.16 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 0.96 0.00 0.00 0.38 0.00 0.00 107 E 7.95 3.92 0.00 2.19 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 2.32 2.49 0.00 108 D 8.41 4.54 0.00 2.79 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 0.00 109 E 8.37 3.93 0.00 2.13 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 0.00 2.27 2.24 0.00 110 D 9.33 4.88 0.00 2.42 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 0.00 111 F 8.43 4.75 0.00 3.10 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 0.00 112 G 7.88 3.47 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 0.00 113 Y 7.39 4.95 0.00 2.86 3.13 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 0.00 114 C 9.43 4.40 0.00 2.73 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.21 4.18 0.00 1.95 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 2.53 2.39 0.00 116 S 8.14 4.29 0.00 3.97 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 0.00 117 C 7.64 4.84 0.00 3.09 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 0.00 118 G 8.58 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 0.00 119 V 7.27 3.74 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 0.85 0.00 0.00 0.90 0.00 0.00 120 E 8.39 3.84 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 1.84 1.84 0.00 121 I 8.23 4.11 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.80 0.00 0.00 122 G 8.68 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.62 3.84 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.82 1.14 0.00 0.00 124 R 8.07 4.12 0.00 1.87 2.03 0.00 3.46 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 125 R 7.86 3.95 0.00 1.87 2.03 0.00 3.16 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 126 L 8.26 4.13 0.00 1.61 1.23 0.06 0.62 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 0.00 127 E 8.45 4.34 0.00 2.30 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 2.77 2.89 0.00 128 A 7.46 4.22 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 0.00 129 R 8.09 4.49 0.00 1.88 1.81 0.00 3.44 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 130 P 0.00 4.85 0.00 2.53 2.52 0.00 3.51 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.19 0.00 131 T 8.06 4.39 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 1.26 0.00 0.00 132 A 7.94 4.05 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 0.00 133 D 8.75 4.73 0.00 2.73 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 0.00 134 L 7.54 5.01 0.00 1.57 1.52 0.92 0.89 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 0.00 135 C 8.13 4.46 0.00 3.10 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 0.00 136 I 8.17 3.62 1.85 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 1.63 1.42 0.89 0.00 0.00 137 D 7.95 4.31 0.00 2.78 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 0.00 138 C 7.98 4.18 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.34 3.91 0.00 1.86 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.48 7.81 140 T 8.19 4.83 4.39 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 1.21 0.00 0.00 141 L 8.35 3.92 0.00 1.96 1.77 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.16 3.98 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 0.00 143 E 8.09 3.94 0.00 2.16 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 2.33 2.62 0.00 144 I 7.87 3.70 2.02 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 1.78 1.55 0.96 0.00 0.00 145 R 8.14 4.56 0.00 1.92 1.99 0.00 3.16 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 146 E 8.32 4.12 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 2.58 2.44 0.00 147 K 8.06 3.86 0.00 1.96 2.09 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.56 7.81 148 Q 7.75 4.07 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.70 0.00 149 M 8.70 4.18 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 150 A 8.33 4.32 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 0.00 151 G 7.98 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