NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9857 8.2133 109.7395 45.1028 0.0000 174.9468 4 I 3.4998 8.2175 119.4870 63.7129 36.8747 177.1143 5 A 4.3354 8.6722 123.6547 54.8853 18.7974 179.2899 6 L 3.9951 7.9426 117.2871 57.8071 41.7284 179.7884 7 S 4.1521 8.3275 114.4808 61.4279 62.9227 176.5704 8 R 4.2056 7.8986 123.5362 58.6670 29.8015 178.5489 9 L 3.9923 8.4737 118.9903 57.6189 41.5526 179.3093 10 A 4.0645 8.2999 120.9362 55.1588 17.7739 179.6878 11 Q 3.9934 8.1761 116.5959 59.2737 28.4089 178.8809 12 E 4.1152 8.6350 119.9271 59.4039 29.4932 179.4735 13 R 4.3901 8.5362 118.8775 59.5073 30.0898 178.4828 14 K 4.0239 8.2797 119.3052 59.4065 32.1135 178.6866 15 A 4.1275 8.2951 121.1231 54.8979 18.1453 179.3559 16 W 4.1082 8.4719 125.9749 60.8619 30.9032 178.1395 17 R 4.1849 8.2568 116.8184 59.0980 29.5275 178.7604 18 K 4.3299 7.6165 116.1437 57.6701 32.2870 177.0577 19 D 4.2663 7.3794 116.9943 53.5938 43.9750 173.9005 20 H 4.4159 7.8559 121.1418 52.6689 31.3578 171.3206 21 P 4.2868 0.0000 0.0000 62.3770 31.6402 175.5846 22 F 4.0807 8.7128 123.2819 59.7562 39.7133 175.4952 23 G 3.7351 8.3955 115.9580 45.0607 0.0000 172.9447 24 F 4.9527 7.8095 117.8842 56.5143 40.9079 175.4671 25 V 4.8218 8.9179 119.6129 61.4475 35.0669 174.6853 26 A 4.7741 8.6867 128.9955 51.0742 21.1420 175.5482 27 V 4.1341 8.7925 122.0381 60.8720 34.8073 173.2673 28 P 4.0523 0.0000 0.0000 62.6707 32.1042 176.3213 29 T 4.1957 8.5890 113.9876 61.6420 70.5515 172.9414 30 K 4.9937 8.2708 120.0530 54.6675 34.8635 176.4576 31 N 4.7066 9.1919 120.4419 51.7193 39.6959 174.6237 32 P 4.1594 0.0000 0.0000 66.0530 31.3602 177.2892 33 D 4.4815 7.9671 114.1036 53.7507 39.6928 177.0039 34 G 3.9290 8.2633 109.7893 45.2853 0.0000 173.9372 35 T 4.2555 8.0435 110.3804 61.3786 70.5316 173.7512 36 M 4.4614 8.3575 121.7345 55.2746 33.0779 176.4725 37 N 4.6789 9.0206 122.8897 52.1587 38.7404 175.4177 38 L 4.1385 8.4274 124.8581 56.4867 42.2400 178.0331 39 M 4.4286 8.4796 118.2467 55.9214 32.4504 175.2267 40 N 5.3154 8.3960 119.3034 52.5683 41.8389 172.7278 41 W 5.1368 9.5348 127.1333 54.9113 32.6163 174.9590 42 E 4.7783 9.0294 123.7437 55.3822 30.6796 175.1117 43 C 5.3756 9.2940 121.6529 58.0283 33.0394 172.8367 44 A 5.1417 9.0459 120.9634 50.8175 22.7748 175.2665 45 I 4.3903 8.8020 122.7041 58.5997 40.0806 173.4115 46 P 4.8854 0.0000 0.0000 61.9123 32.3690 176.4559 47 G 4.5961 8.7592 109.7796 45.8724 0.0000 173.5419 48 K 4.4369 8.7833 121.9106 55.5241 32.9425 177.1910 49 K 4.1711 8.5639 122.8831 57.9631 32.5108 177.4761 50 G 3.9893 10.3269 111.8807 45.7851 0.0000 172.9328 51 T 4.8468 7.4470 109.1803 58.4688 71.5652 173.1766 52 P 4.4094 0.0000 0.0000 64.6001 31.6080 177.2656 53 W 4.3687 8.3165 118.6795 57.8649 29.5242 176.0200 54 E 4.2460 8.0549 120.0952 57.8212 29.5088 176.8489 55 G 4.0539 9.2385 113.8825 45.1511 0.0000 173.3828 56 G 3.7296 7.7983 106.5643 45.4848 0.0000 172.6795 57 L 4.8090 8.0369 123.7271 52.9642 44.5996 175.6733 58 F 4.7103 8.9365 126.4541 55.6248 41.1957 175.3325 59 K 4.7525 8.5570 123.9882 56.0204 33.6026 175.8975 60 L 4.9650 8.9132 125.4226 53.5152 46.1123 174.3545 61 R 4.9721 8.9664 125.6626 54.8180 32.7048 174.2386 62 M 4.6851 8.8293 125.7194 53.6625 34.7064 174.1160 63 L 5.0106 8.3882 126.5507 52.9535 44.5547 175.4935 64 F 4.7797 8.8129 122.9755 55.6564 41.0103 176.1847 65 K 4.4444 8.4407 121.4496 55.3191 33.3035 177.7962 66 D 4.4931 8.6189 120.3316 56.9419 41.0935 177.1800 67 D 4.7698 8.0350 117.6248 52.8978 39.5646 175.3993 68 Y 4.6462 8.0166 122.3660 58.1545 39.1089 174.4876 69 P 4.4517 0.0000 0.0000 62.5053 31.7989 177.2148 70 S 4.1912 8.1852 116.2533 61.2328 62.3330 174.6634 71 S 4.7159 7.7456 112.5471 55.5041 64.9288 171.8545 72 P 2.9700 0.0000 0.0000 60.7437 31.9154 174.1511 73 P 4.0887 0.0000 0.0000 62.3275 32.2919 175.4294 74 K 4.0910 8.2834 122.6788 56.0458 33.6604 175.1660 75 C 4.9738 8.4246 124.2450 57.7223 31.3357 172.6870 76 K 4.8092 8.6973 125.2058 54.2370 34.7816 175.3636 77 F 4.7291 8.9999 127.5421 57.8186 39.6282 175.1193 78 E 4.7129 8.9290 122.5290 53.8642 32.1937 174.0746 79 P 4.6130 0.0000 0.0000 61.0355 32.5626 174.3263 80 P 4.3946 0.0000 0.0000 62.8914 31.6794 175.7519 81 L 4.5910 8.1944 123.3955 53.1357 43.4152 175.8109 82 F 4.3318 9.3471 128.7030 58.7446 39.3284 174.0943 83 H 4.4935 7.9430 124.2202 54.7073 32.5900 172.9700 84 P 4.1954 0.0000 0.0000 65.0320 31.4803 177.4506 85 N 4.7216 8.2776 113.8411 52.4899 38.9283 173.4533 86 V 4.5762 7.2885 118.6391 60.8473 33.2468 175.3951 87 Y 4.4206 8.5375 125.1504 57.2286 38.3808 175.4132 88 P 4.4583 0.0000 0.0000 65.7863 31.5122 178.3925 89 S 4.1935 8.1141 111.6186 59.7371 63.2390 175.1408 90 G 4.1603 8.6726 110.1223 45.2183 0.0000 173.5030 91 T 4.4108 7.9659 117.5973 63.6512 69.5745 173.7983 92 V 4.2059 8.5019 126.6067 62.3653 32.6324 175.0378 93 S 4.7744 8.5924 123.3197 56.8679 63.3536 173.1979 94 L 4.4926 8.1516 127.5115 53.7717 45.1356 175.9357 95 S 4.1750 8.7930 120.6621 61.1740 63.2700 176.2174 96 I 3.9006 7.8975 113.8401 62.8804 37.4410 176.6877 97 L 4.5769 7.9056 120.7864 54.3728 41.8566 175.7182 98 E 4.6062 7.9219 118.4106 54.2232 32.5030 176.1707 99 E 4.0773 9.1145 125.0814 59.2781 29.7061 177.0960 100 D 4.9328 8.0375 114.7779 53.9852 42.9192 176.1148 101 K 4.2624 8.3457 118.5799 56.9012 31.7288 176.7343 102 D 4.8381 6.0918 125.6413 54.2002 41.8571 176.3071 103 W 4.6279 8.0824 129.1881 57.0257 31.4771 175.2434 104 R 4.2478 6.9629 122.5576 53.2977 33.0143 174.5234 105 P 4.2054 0.0000 0.0000 64.7639 31.3900 177.4517 106 A 4.0249 7.4312 118.5933 53.4447 18.6615 177.6740 107 I 3.7551 6.8708 117.8089 61.7294 37.6405 176.6371 108 T 4.9124 8.4602 117.0157 59.6366 71.8368 176.1622 109 I 3.6415 8.8512 122.6208 64.2732 36.8849 178.5845 110 K 4.1605 8.3206 119.9910 59.9875 32.0066 178.6560 111 Q 4.0059 8.1489 118.0935 58.8433 28.4943 178.8914 112 I 3.7564 8.0162 120.9238 64.5393 37.1407 178.5673 113 L 4.0947 8.1943 119.9754 57.7700 41.3852 179.6094 114 L 4.2215 8.3900 119.5107 57.6536 41.5000 179.7886 115 G 3.6053 8.3842 105.9170 47.8093 0.0000 175.9206 116 I 3.7169 8.0726 122.4561 64.0018 36.8817 178.1342 117 Q 3.9429 8.2465 119.7013 59.3183 28.4828 177.7973 118 E 4.0521 8.4124 120.2845 59.2878 29.6483 178.4454 119 L 4.1441 7.8978 120.2908 57.8782 41.7826 178.6384 120 L 3.0712 6.9274 117.8510 57.6151 41.3790 177.7711 121 N 4.9064 7.0958 113.4899 53.7381 39.3989 174.7958 122 E 4.6962 7.6841 116.5635 54.3673 29.4286 173.2113 123 P 4.3092 0.0000 0.0000 62.2906 32.4938 176.3223 124 N 4.6326 9.1508 120.7141 52.2000 38.4084 175.3199 125 I 4.2870 8.1011 118.5483 61.3943 38.3239 177.0208 126 Q 4.1616 7.9680 120.7726 58.3920 29.1484 176.2216 127 D 4.6829 7.5580 116.5350 50.5311 39.0959 173.3782 128 P 4.1875 0.0000 0.0000 63.4710 32.2599 176.8683 129 A 4.0944 8.5685 122.7838 51.9350 20.6229 177.0555 130 Q 4.5566 7.4306 112.6157 53.4113 31.7681 176.0537 131 A 4.1186 8.7547 122.9542 55.2939 18.4729 179.6234 132 E 3.9235 8.1836 117.0644 59.6117 29.9327 178.8047 133 A 3.7188 8.2689 120.7682 54.9251 18.2823 179.0360 134 Y 3.9938 7.7190 117.8028 61.1821 38.9197 178.3295 135 T 3.6157 8.2168 116.8349 66.6253 68.4824 176.7997 136 I 3.7893 8.0185 121.7579 64.5126 36.9479 177.6996 137 Y 3.6890 8.0231 119.4067 61.0162 38.5641 177.8928 138 C 4.1456 7.8739 116.3843 62.1328 28.2878 175.1667 139 Q 4.4943 7.8529 117.7211 56.0819 30.7373 176.1109 140 N 4.9805 8.2046 118.0271 51.2339 40.6028 174.5083 141 R 3.8484 8.0581 122.0299 58.5870 30.4726 178.2833 142 V 3.5730 7.7204 117.6816 66.0589 31.5687 177.5847 143 E 3.9061 8.4899 119.0501 59.2175 29.4227 177.8565 144 Y 4.1814 8.3181 119.8659 61.1073 38.7975 178.3062 145 E 3.9114 8.5594 119.3044 59.1181 29.5239 179.4263 146 K 3.8492 7.9785 118.6887 59.5396 32.1251 179.5670 147 R 3.5704 7.8472 118.2669 58.9782 29.7941 179.3274 148 V 3.0070 7.3917 118.0423 65.8669 31.4070 178.3648 149 R 3.9104 8.0703 117.9570 59.0402 29.8431 178.9498 150 A 3.8866 7.9165 120.7375 55.0805 18.4416 179.4868 151 Q 3.8817 8.0559 117.9248 59.1835 28.8856 178.2979 152 A 4.3426 7.9675 121.2099 55.0221 18.7186 179.1859 153 K 3.9777 8.0485 118.2545 59.5313 32.0568 178.9341 154 K 3.7529 7.8177 118.7777 58.5490 32.1482 177.7717 155 F 4.9184 7.7231 116.3000 56.0546 39.8968 174.8948 156 A 4.7919 7.1667 121.8983 50.1800 18.9130 176.8831 157 P 4.2523 0.0000 0.0000 63.1442 32.0128 176.6046 158 S 4.3595 8.5767 115.6832 58.5099 63.2635 173.9323 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 3 G 8.21 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 0.00 0.00 0.00 4 I 8.22 3.50 1.89 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 1.57 1.22 0.90 0.00 0.00 5 A 8.67 4.34 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 6 L 7.94 4.00 0.00 1.73 1.75 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.33 4.15 0.00 4.07 4.18 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 8 R 7.90 4.21 0.00 1.97 2.18 0.00 3.23 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.00 9 L 8.47 3.99 0.00 1.77 1.75 0.69 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.30 4.06 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 11 Q 8.18 3.99 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 12 E 8.64 4.12 0.00 2.18 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 2.59 2.52 0.00 13 R 8.54 4.39 0.00 2.18 2.17 0.00 2.92 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 14 K 8.28 4.02 0.00 1.94 1.99 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.50 7.81 15 A 8.30 4.13 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 16 W 8.47 4.11 0.00 3.65 3.51 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 17 R 8.26 4.18 0.00 1.94 2.06 0.00 3.53 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 18 K 7.62 4.33 0.00 1.92 1.85 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.61 7.81 19 D 7.38 4.27 0.00 2.49 2.43 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 0.00 0.00 0.00 0.00 20 H 7.86 4.42 0.00 1.40 1.56 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.29 0.00 1.85 1.99 0.00 3.03 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.41 0.00 22 F 8.71 4.08 0.00 3.08 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 23 G 8.40 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 24 F 7.81 4.95 0.00 3.23 3.44 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 25 V 8.92 4.82 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 1.12 0.00 0.00 1.00 0.00 0.00 26 A 8.69 4.77 0.13 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 0.00 0.00 27 V 8.79 4.13 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 0.93 0.00 0.00 0.96 0.00 0.00 28 P 0.00 4.05 0.00 1.50 1.38 0.00 3.19 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 29 T 8.59 4.20 4.20 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 1.24 0.00 0.00 30 K 8.27 4.99 0.00 1.59 1.69 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.33 7.81 31 N 9.19 4.71 0.00 2.83 2.71 0.00 0.00 7.14 8.00 0.00 0.00 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 P 0.00 4.16 0.00 2.04 2.14 0.00 3.92 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 33 D 7.97 4.48 0.00 2.77 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 34 G 8.26 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 35 T 8.04 4.26 4.21 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 1.29 0.00 0.00 36 M 8.36 4.46 0.00 1.75 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 37 N 9.02 4.68 0.00 2.94 2.67 0.00 0.00 7.08 6.67 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 38 L 8.43 4.14 0.00 1.69 1.79 0.93 0.87 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 39 M 8.48 4.43 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 40 N 8.40 5.32 0.00 2.72 2.69 0.00 0.00 6.95 8.41 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 41 W 9.53 5.14 0.00 3.17 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 42 E 9.03 4.78 0.00 1.91 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 2.26 2.28 0.00 43 C 9.29 5.38 0.00 2.81 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 44 A 9.05 5.14 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 45 I 8.80 4.39 2.07 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 1.49 0.90 0.90 0.00 0.00 46 P 0.00 4.89 0.00 2.05 1.92 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 47 G 8.76 4.60 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 0.00 0.00 0.00 48 K 8.78 4.44 0.00 1.96 1.85 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.54 7.81 49 K 8.56 4.17 0.00 1.81 1.81 0.00 2.12 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.45 7.81 50 G 10.33 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 0.00 0.00 0.00 51 T 7.45 4.85 4.70 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 1.36 0.00 0.00 52 P 0.00 4.41 0.00 1.97 2.18 0.00 4.13 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 53 W 8.32 4.37 0.00 3.60 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.25 0.00 2.15 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 2.39 2.36 0.00 55 G 9.24 4.05 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 0.00 0.00 0.00 56 G 7.80 3.73 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 0.00 0.00 0.00 57 L 8.04 4.81 0.00 1.46 1.41 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.94 4.71 0.00 3.14 2.89 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 59 K 8.56 4.75 0.00 1.89 1.74 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.39 7.81 60 L 8.91 4.97 0.00 1.28 1.24 -0.25 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.97 4.97 0.00 1.83 1.67 0.00 3.06 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 62 M 8.83 4.69 0.00 1.81 1.61 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.29 0.00 63 L 8.39 5.01 0.00 1.38 1.41 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.81 4.78 0.00 2.73 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 65 K 8.44 4.44 0.00 1.94 1.73 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.38 7.81 66 D 8.62 4.49 0.00 2.69 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 67 D 8.03 4.77 0.00 2.85 2.91 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 68 Y 8.02 4.65 0.00 3.19 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 69 P 0.00 4.45 0.00 2.21 1.13 0.00 3.62 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 70 S 8.19 4.19 0.00 3.91 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 71 S 7.75 4.72 0.00 3.84 3.88 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 72 P 0.00 2.97 0.00 1.59 0.91 0.00 3.39 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 73 P 0.00 4.09 0.00 1.21 0.49 0.00 3.12 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 74 K 8.28 4.09 0.00 1.69 1.51 0.00 1.46 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.29 7.81 75 C 8.42 4.97 0.00 2.68 2.50 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 76 K 8.70 4.81 0.00 1.67 1.54 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 77 F 9.00 4.73 0.00 2.97 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 78 E 8.93 4.71 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 79 P 0.00 4.61 0.00 2.31 2.18 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 80 P 0.00 4.39 0.00 2.15 2.23 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 81 L 8.19 4.59 0.00 1.10 1.26 0.62 -0.52 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 82 F 9.35 4.33 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 7.94 4.49 0.00 3.20 2.98 0.00 5.74 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.20 0.00 1.95 2.02 0.00 2.91 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 1.43 2.05 0.00 85 N 8.28 4.72 0.00 2.77 2.82 0.00 0.00 6.62 7.68 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 86 V 7.29 4.58 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 0.98 0.00 0.00 0.95 0.00 0.00 87 Y 8.54 4.42 0.00 3.08 2.86 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 88 P 0.00 4.46 0.00 2.11 2.20 0.00 3.90 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 89 S 8.11 4.19 0.00 3.99 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 90 G 8.67 4.16 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 0.00 0.00 0.00 91 T 7.97 4.41 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 1.21 0.00 0.00 92 V 8.50 4.21 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 0.68 0.00 0.00 0.85 0.00 0.00 93 S 8.59 4.77 0.00 3.78 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 94 L 8.15 4.49 0.00 1.70 1.43 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.79 4.18 0.00 4.07 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 96 I 7.90 3.90 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.94 0.00 0.00 97 L 7.91 4.58 0.00 1.76 1.61 0.85 0.81 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 98 E 7.92 4.61 0.00 2.00 1.82 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 2.27 2.26 0.00 99 E 9.11 4.08 0.00 1.88 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 2.37 2.62 0.00 100 D 8.04 4.93 0.00 2.71 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 0.00 101 K 8.35 4.26 0.00 1.90 1.29 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.39 7.81 102 D 6.09 4.84 0.00 2.80 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 0.00 103 W 8.08 4.63 0.00 3.44 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 0.00 104 R 6.96 4.25 0.00 1.43 1.43 0.00 3.05 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 105 P 0.00 4.21 0.00 1.89 2.14 0.00 3.50 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 1.97 2.21 0.00 106 A 7.43 4.02 1.14 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 0.00 0.00 107 I 6.87 3.76 1.14 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.23 0.98 0.00 0.00 108 T 8.46 4.91 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 1.29 0.00 0.00 109 I 8.85 3.64 1.71 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 0.35 0.00 0.00 110 K 8.32 4.16 0.00 2.02 1.93 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.49 7.81 111 Q 8.15 4.01 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 I 8.02 3.76 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.90 0.86 0.00 0.00 113 L 8.19 4.09 0.00 1.79 2.10 0.78 0.79 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 0.00 114 L 8.39 4.22 0.00 1.74 1.74 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.38 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 0.00 116 I 8.07 3.72 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.95 0.00 0.00 117 Q 8.25 3.94 0.00 2.44 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 118 E 8.41 4.05 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 119 L 7.90 4.14 0.00 1.86 1.76 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 120 L 6.93 3.07 0.00 0.97 0.13 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.10 4.91 0.00 2.91 2.88 0.00 0.00 7.03 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.68 4.70 0.00 1.94 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 2.21 2.27 0.00 123 P 0.00 4.31 0.00 1.41 1.51 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.80 0.00 124 N 9.15 4.63 0.00 2.64 2.70 0.00 0.00 7.16 7.37 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 0.00 125 I 8.10 4.29 2.15 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 1.48 0.81 0.98 0.00 0.00 126 Q 7.97 4.16 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.28 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 127 D 7.56 4.68 0.00 2.60 2.56 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 0.00 128 P 0.00 4.19 0.00 1.53 1.06 0.00 3.51 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.48 0.00 129 A 8.57 4.09 0.19 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 0.00 0.00 130 Q 7.43 4.56 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 131 A 8.75 4.12 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 0.00 132 E 8.18 3.92 0.00 2.15 2.24 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 2.65 2.52 0.00 133 A 8.27 3.72 0.60 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 0.00 0.00 134 Y 7.72 3.99 0.00 2.96 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.22 3.62 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 1.20 0.00 0.00 136 I 8.02 3.79 2.24 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 1.18 0.00 0.00 137 Y 8.02 3.69 0.00 2.57 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 0.00 138 C 7.87 4.15 0.00 2.82 2.78 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 0.00 139 Q 7.85 4.49 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.09 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 140 N 8.20 4.98 0.00 2.65 2.66 0.00 0.00 7.05 7.48 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 0.00 141 R 8.06 3.85 0.00 1.74 1.86 0.00 2.54 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.00 142 V 7.72 3.57 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 1.02 0.00 0.00 0.92 0.00 0.00 143 E 8.49 3.91 0.00 2.14 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 2.32 2.37 0.00 144 Y 8.32 4.18 0.00 3.25 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 0.00 145 E 8.56 3.91 0.00 2.09 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 2.53 2.71 0.00 146 K 7.98 3.85 0.00 1.90 1.76 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.62 7.81 147 R 7.85 3.57 0.00 1.36 0.79 0.00 2.95 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 1.50 1.33 0.00 148 V 7.39 3.01 1.57 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 -0.49 0.00 0.00 0.28 0.00 0.00 149 R 8.07 3.91 0.00 1.75 1.88 0.00 3.13 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 150 A 7.92 3.89 1.21 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 0.00 0.00 151 Q 8.06 3.88 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.72 2.79 0.00 152 A 7.97 4.34 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 0.00 153 K 8.05 3.98 0.00 1.80 1.92 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 154 K 7.82 3.75 0.00 1.50 1.49 0.00 1.55 0.00 0.00 1.22 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.04 7.81 155 F 7.72 4.92 0.00 3.05 2.98 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 0.00 156 A 7.17 4.79 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 0.00 157 P 0.00 4.25 0.00 2.05 2.02 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 158 S 8.58 4.36 0.00 3.97 3.83 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