NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 5.0743 8.4093 119.2141 54.1134 39.9816 174.1606 4 Q 4.3708 8.8280 118.9879 56.5570 32.9907 172.4566 5 Y 4.9395 8.1978 118.0920 57.0061 42.8727 174.5726 6 Y 4.9879 8.1895 124.3453 55.5004 42.1010 174.3760 7 G 3.7743 6.2042 107.4870 46.9390 0.0000 171.1421 8 T 3.7446 8.7678 121.3207 63.2069 66.5972 173.4168 9 G 3.4161 9.3274 127.0700 45.6186 0.0000 172.8673 10 R 4.7589 8.1653 122.5573 53.6815 29.9304 175.2614 11 R 4.3850 8.1995 123.2357 55.4547 33.1113 174.8875 12 K 3.8704 9.1023 125.6081 57.4192 29.7873 176.4090 13 S 3.9686 8.1670 110.8816 59.0107 61.2132 171.3844 14 S 4.9130 7.7291 116.9555 56.5608 64.9157 172.8939 15 A 4.9161 8.6473 125.3123 50.0618 21.9607 174.9728 16 A 5.0465 8.1118 121.0781 49.9911 21.7015 176.5882 17 R 3.9593 8.4106 122.0816 55.9715 31.7778 176.4761 18 V 4.5043 7.0547 120.8855 61.6379 35.0875 173.3180 19 F 4.9669 9.1238 126.8880 55.8288 42.0168 174.3533 20 I 4.7330 9.0547 126.0368 60.2635 38.5360 175.5734 21 K 5.0324 9.2089 126.5610 53.8039 35.5058 173.8583 22 P 4.6308 0.0000 0.0000 60.6700 31.8555 177.6834 23 G 4.2333 7.8722 111.3009 46.2649 0.0000 171.8695 24 N 5.0272 7.9994 122.8303 50.9578 43.1755 173.1167 25 G 3.7991 8.7206 110.0742 47.4038 0.0000 172.5534 26 K 4.4192 8.1079 124.5770 55.6486 35.8407 173.4747 27 I 4.6291 8.5762 124.7435 59.3605 39.9845 174.4905 28 V 4.6590 8.1045 130.4479 61.0647 34.3477 174.7089 29 I 4.1532 8.6182 128.4179 60.5999 39.9869 174.2086 30 N 4.3470 8.0417 126.5654 54.6686 36.1808 175.3150 31 Q 3.7714 8.2384 112.9550 56.5947 27.8075 174.2170 32 R 4.5564 7.6712 116.8764 55.1898 33.4821 173.0451 33 S 5.1666 8.3271 114.2267 57.1857 66.2062 174.1198 34 L 4.1421 8.4971 119.8929 58.8999 41.3554 179.2563 35 E 4.3794 8.1760 112.1084 57.2096 29.3113 177.1327 36 Q 4.5255 8.1635 117.6681 56.0164 30.9871 175.4922 37 Y 4.5047 7.6013 116.6605 57.6848 39.3984 174.5897 38 F 5.1378 7.6713 115.9022 56.2878 44.1256 175.7335 39 G 4.1767 8.4165 117.7421 45.3180 0.0000 174.3804 40 R 4.0949 8.5029 125.0283 56.4302 30.7362 175.7060 41 E 4.7271 8.2753 122.2238 55.3539 33.7947 175.2358 42 T 4.1966 8.3851 117.3468 65.4080 69.5520 176.9630 43 A 3.9463 8.1326 124.2585 55.2192 18.4250 179.5556 44 R 3.9778 7.2292 110.1356 59.6142 29.7293 178.1610 45 M 4.1762 7.9985 118.5721 57.9958 31.9748 178.7551 46 V 3.8453 7.5483 117.4661 65.4674 31.7015 177.5241 47 V 4.0389 7.6568 109.4701 61.6953 31.5590 177.0315 48 R 4.4213 7.6115 119.3640 56.1959 30.6654 177.9168 49 Q 4.2167 7.3503 119.1345 57.9568 28.6450 177.4190 50 P 3.9601 0.0000 0.0000 64.5826 31.4892 177.6286 51 L 4.3071 8.0079 117.7692 55.3688 41.7596 177.4447 52 E 4.6816 7.7434 117.2013 55.7235 30.3581 177.4127 53 L 4.0435 7.1508 121.2084 57.7913 42.2452 177.5261 54 V 4.2052 7.1117 106.3932 59.8517 34.0457 171.0822 55 D 4.5794 8.8933 127.3666 54.1604 37.8233 172.6678 56 M 4.7013 8.4654 120.6062 54.7071 34.5893 174.4315 57 V 3.2714 8.2652 114.6898 63.5163 28.7887 172.9073 58 E 4.7105 7.5338 113.4292 56.7429 31.3580 177.2561 59 K 4.7479 7.9246 114.1813 57.9613 35.7759 174.5778 60 L 4.9586 7.6956 119.7052 55.2740 43.6574 173.7741 61 D 5.3346 8.9721 118.4764 51.6608 44.8581 174.2075 62 L 5.1867 8.0877 120.9818 54.6727 44.5039 173.7807 63 Y 5.5323 8.9951 121.3653 55.0523 42.3521 174.2450 64 I 4.9272 7.7761 125.1674 60.0606 41.6867 174.6303 65 T 4.7269 8.4478 121.6360 61.7145 70.0240 172.6761 66 V 4.4541 8.1430 124.5230 60.2066 33.4648 175.4848 67 K 4.5916 8.1473 120.3306 55.4152 35.9161 177.4517 68 G 3.6919 9.3345 107.8893 47.8790 0.0000 174.2254 69 G 3.8918 7.9463 108.5301 45.6168 0.0000 173.7057 70 G 3.9016 8.3693 113.9399 45.2346 0.0000 171.9607 71 I 4.0020 8.1672 117.7873 63.5904 38.1460 178.2589 72 S 4.1090 7.7919 115.4526 61.1832 62.4507 176.8453 73 G 3.5570 7.9437 107.4820 47.7762 0.0000 175.0823 74 Q 4.1551 8.0048 119.9030 59.0215 28.8513 178.9498 75 A 4.1424 7.7586 121.3337 55.0868 18.3718 179.8657 76 G 3.5721 8.2060 104.3493 48.1097 0.0000 175.8559 77 A 4.1889 7.9168 123.3517 54.6546 18.4789 179.9080 78 I 3.6386 7.5614 118.0483 64.6021 37.1239 178.5020 79 R 3.8225 7.8909 118.1447 59.1383 28.4989 177.5745 80 H 4.6587 7.8100 116.9825 58.7058 29.8396 177.1929 81 G 4.0794 8.2410 108.4446 46.1698 0.0000 175.9121 82 I 3.7275 7.6941 115.5171 63.4309 37.2725 177.4327 83 T 4.5292 7.3260 107.7692 61.5478 68.8453 175.5303 84 R 4.6161 7.3096 119.2149 56.0480 30.2304 176.0719 85 A 4.8022 7.7092 120.1454 51.6810 20.2364 177.1167 86 L 4.9373 7.6075 116.3720 55.1412 43.4126 177.3406 87 M 4.7249 7.9656 113.6145 55.5996 31.7200 176.4454 88 E 4.6982 7.8755 115.1190 56.2540 31.5446 176.3666 89 Y 3.0783 7.3242 120.4922 59.5527 39.1223 175.4365 90 D 4.7809 7.8953 117.9126 52.9731 44.7281 175.4171 91 E 4.8176 8.9064 121.8177 56.1945 30.3628 176.6508 92 S 4.4467 7.9677 114.0180 59.6034 64.1730 174.8677 93 L 4.5189 7.6911 119.0827 54.3522 42.0271 177.7693 94 R 3.8831 8.1136 120.9273 59.8415 30.2419 178.6500 95 S 4.1805 8.2198 113.0916 61.7308 62.9316 175.5978 96 E 4.4073 7.7886 117.1314 56.3230 29.2612 177.1335 97 L 4.7492 7.6771 118.7456 54.9843 45.0233 178.7469 98 R 4.0812 8.0045 117.9801 58.3898 30.5335 178.0019 99 K 4.0654 8.0024 114.8706 57.9883 32.2425 177.3648 100 A 4.2172 7.8657 120.5536 51.1170 18.9297 176.8473 101 G 3.9175 7.4044 104.0144 48.3491 0.0000 175.0735 102 F 5.0634 8.4711 117.7701 57.2743 40.1061 177.0889 103 V 4.4376 7.6992 112.2711 61.1429 32.2534 175.4114 104 T 4.1035 7.5990 118.7563 62.8619 68.8496 173.7743 105 R 4.1048 8.4219 127.4339 55.3984 30.7880 175.3048 106 D 4.3509 8.6686 125.2585 54.4432 41.6006 175.3003 107 A 4.6974 8.4049 127.2366 51.9556 20.0030 177.5296 108 R 4.2871 7.5233 117.0886 55.8800 27.7354 175.6790 109 Q 4.7330 7.7091 119.9365 53.2703 31.8654 175.8206 110 V 3.7398 8.2414 114.1915 61.5962 32.1585 175.4721 111 E 4.7018 8.4246 124.5143 54.0064 31.9636 175.5262 112 R 4.2407 8.1709 119.6548 55.5517 30.6699 175.9337 113 K 4.5591 8.2138 120.2636 56.1163 33.8514 175.3011 114 K 4.8110 8.0648 122.3839 54.2821 36.9307 175.7417 115 V 3.7489 8.3101 114.8745 62.3699 31.9349 177.4031 116 G 3.9708 9.3185 112.9258 45.3366 0.0000 172.8828 117 L 4.9000 7.1493 117.0075 52.8012 45.1982 176.9839 118 R 4.2897 8.9837 121.1876 58.3231 31.2530 176.9949 119 K 4.5437 7.5022 119.3846 56.2271 32.9120 178.6105 120 A 4.3740 8.7316 126.7267 55.1503 18.9991 178.2600 121 R 4.6291 7.6233 109.5498 55.6491 33.7875 175.2805 122 R 4.2200 7.8663 119.5377 55.7838 30.8874 175.1086 123 R 4.9339 8.0361 119.1823 53.2980 32.6968 172.7825 124 P 4.2580 0.0000 0.0000 63.0282 32.1176 175.9226 125 Q 4.5701 8.3649 119.4183 54.6483 30.3794 175.2712 126 F 5.0786 8.0194 114.1856 55.4505 40.7177 174.1253 127 S 4.6280 8.3519 115.7728 58.7321 65.1289 173.7321 128 K 4.3924 8.2214 116.8884 57.1301 36.0315 175.0972 129 R 4.1437 8.0115 123.1399 57.2489 30.0355 175.5846 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 N 8.41 5.07 0.00 2.85 2.87 0.00 0.00 6.81 6.19 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 4 Q 8.83 4.37 0.00 1.41 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.43 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 5 Y 8.20 4.94 0.00 2.92 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 6 Y 8.19 4.99 0.00 3.00 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 7 G 6.20 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 8 T 8.77 3.74 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 1.22 0.00 0.00 9 G 9.33 3.42 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 0.00 10 R 8.17 4.76 0.00 1.91 1.96 0.00 3.00 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 11 R 8.20 4.38 0.00 1.80 1.89 0.00 3.50 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 12 K 9.10 3.87 0.00 1.99 1.80 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 13 S 8.17 3.97 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.73 4.91 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.65 4.92 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 16 A 8.11 5.05 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 17 R 8.41 3.96 0.00 1.81 1.76 0.00 3.39 0.00 0.00 3.61 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 18 V 7.05 4.50 1.77 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 0.90 0.00 0.00 0.74 0.00 0.00 19 F 9.12 4.97 0.00 3.22 3.26 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 20 I 9.05 4.73 2.18 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 1.27 0.00 0.00 21 K 9.21 5.03 0.00 1.67 1.75 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.61 7.81 22 P 0.00 4.63 0.00 1.97 2.02 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 23 G 7.87 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 0.00 0.00 0.00 0.00 24 N 8.00 5.03 0.00 2.74 2.61 0.00 0.00 6.79 8.29 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 25 G 8.72 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 26 K 8.11 4.42 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.35 7.81 27 I 8.58 4.63 1.89 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 1.26 0.99 0.94 0.00 0.00 28 V 8.10 4.66 2.47 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 1.05 0.00 0.00 1.05 0.00 0.00 29 I 8.62 4.15 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.21 0.99 0.00 0.00 30 N 8.04 4.35 0.00 2.20 2.44 0.00 0.00 7.10 7.57 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 31 Q 8.24 3.77 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 32 R 7.67 4.56 0.00 1.84 1.78 0.00 3.18 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 33 S 8.33 5.17 0.00 3.98 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 34 L 8.50 4.14 0.00 1.78 1.97 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.18 4.38 0.00 2.13 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 2.30 0.00 36 Q 8.16 4.53 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 37 Y 7.60 4.50 0.00 2.66 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 38 F 7.67 5.14 0.00 3.17 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 39 G 8.42 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 0.00 0.00 0.00 40 R 8.50 4.09 0.00 1.79 1.84 0.00 3.20 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 41 E 8.28 4.73 0.00 1.92 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 2.03 2.50 0.00 42 T 8.39 4.20 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 1.19 0.00 0.00 43 A 8.13 3.95 1.19 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 44 R 7.23 3.98 0.00 1.99 2.46 0.00 3.09 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 45 M 8.00 4.18 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 46 V 7.55 3.85 2.18 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 1.29 0.00 0.00 0.94 0.00 0.00 47 V 7.66 4.04 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 0.77 0.00 0.00 0.97 0.00 0.00 48 R 7.61 4.42 0.00 1.89 1.89 0.00 3.14 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 49 Q 7.35 4.22 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 50 P 0.00 3.96 0.00 1.73 1.74 0.00 3.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 51 L 8.01 4.31 0.00 1.72 1.64 0.87 0.74 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 52 E 7.74 4.68 0.00 2.16 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 2.51 2.19 0.00 53 L 7.15 4.04 0.00 1.81 1.94 1.00 1.03 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 54 V 7.11 4.21 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 0.81 0.00 0.00 0.90 0.00 0.00 55 D 8.89 4.58 0.00 2.87 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 56 M 8.47 4.70 0.00 1.91 1.89 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 2.37 2.49 0.00 57 V 8.27 3.27 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 0.81 0.00 0.00 0.89 0.00 0.00 58 E 7.53 4.71 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 59 K 7.92 4.75 0.00 1.75 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.57 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.38 7.81 60 L 7.70 4.96 0.00 1.86 1.74 0.92 0.53 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 61 D 8.97 5.33 0.00 2.85 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 62 L 8.09 5.19 0.00 1.83 1.77 0.93 0.83 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 63 Y 9.00 5.53 0.00 3.04 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 64 I 7.78 4.93 1.81 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 1.32 0.82 0.94 0.00 0.00 65 T 8.45 4.73 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 1.22 0.00 0.00 66 V 8.14 4.45 2.14 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 0.93 0.00 0.00 1.05 0.00 0.00 67 K 8.15 4.59 0.00 1.78 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.36 1.64 7.81 68 G 9.33 3.69 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 0.00 0.00 0.00 69 G 7.95 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 70 G 8.37 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 0.00 0.00 0.00 71 I 8.17 4.00 1.68 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 1.58 0.69 0.33 0.00 0.00 72 S 7.79 4.11 0.00 3.79 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 0.00 73 G 7.94 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 74 Q 8.00 4.16 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 75 A 7.76 4.14 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 76 G 8.21 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 77 A 7.92 4.19 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 78 I 7.56 3.64 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.90 0.00 0.00 79 R 7.89 3.82 0.00 1.87 2.08 0.00 3.11 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 0.00 80 H 7.81 4.66 0.00 3.46 3.38 0.00 5.65 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 81 G 8.24 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 82 I 7.69 3.73 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.58 0.92 0.00 0.00 83 T 7.33 4.53 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 1.14 0.00 0.00 84 R 7.31 4.62 0.00 1.76 1.93 0.00 2.99 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 85 A 7.71 4.80 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 86 L 7.61 4.94 0.00 1.79 1.51 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.97 4.72 0.00 2.22 2.18 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 2.58 2.44 0.00 88 E 7.88 4.70 0.00 2.15 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 2.18 2.36 0.00 89 Y 7.32 3.08 0.00 2.67 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 90 D 7.90 4.78 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.91 4.82 0.00 1.93 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 2.24 2.49 0.00 92 S 7.97 4.45 0.00 3.98 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 93 L 7.69 4.52 0.00 1.72 1.71 0.90 0.85 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 94 R 8.11 3.88 0.00 1.92 1.97 0.00 3.26 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 95 S 8.22 4.18 0.00 3.92 3.91 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 96 E 7.79 4.41 0.00 2.06 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 2.42 0.00 97 L 7.68 4.75 0.00 1.96 1.71 1.05 0.88 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 98 R 8.00 4.08 0.00 1.96 1.89 0.00 3.33 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 99 K 8.00 4.07 0.00 1.91 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.36 7.81 100 A 7.87 4.22 1.15 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 0.00 101 G 7.40 3.92 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 0.00 0.00 0.00 102 F 8.47 5.06 0.00 3.06 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 0.00 103 V 7.70 4.44 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 0.82 0.00 0.00 0.96 0.00 0.00 104 T 7.60 4.10 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 1.17 0.00 0.00 105 R 8.42 4.10 0.00 1.80 1.84 0.00 3.42 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 106 D 8.67 4.35 0.00 2.64 2.55 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 0.00 107 A 8.40 4.70 1.24 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 0.00 0.00 108 R 7.52 4.29 0.00 1.79 1.90 0.00 3.11 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 109 Q 7.71 4.73 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 110 V 8.24 3.74 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 0.66 0.00 0.00 0.93 0.00 0.00 111 E 8.42 4.70 0.00 1.89 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 2.20 0.00 112 R 8.17 4.24 0.00 1.96 1.91 0.00 3.08 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 113 K 8.21 4.56 0.00 1.79 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.60 7.81 114 K 8.06 4.81 0.00 1.61 1.65 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.53 7.81 115 V 8.31 3.75 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 0.66 0.00 0.00 0.93 0.00 0.00 116 G 9.32 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.15 4.90 0.00 1.68 1.64 0.93 0.88 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 0.00 118 R 8.98 4.29 0.00 1.77 1.98 0.00 3.11 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 119 K 7.50 4.54 0.00 1.76 1.41 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.39 7.81 120 A 8.73 4.37 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 0.00 121 R 7.62 4.63 0.00 1.75 1.90 0.00 3.21 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 122 R 7.87 4.22 0.00 1.89 1.79 0.00 3.16 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 123 R 8.04 4.93 0.00 1.92 1.84 0.00 3.17 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 124 P 0.00 4.26 0.00 2.12 2.12 0.00 3.69 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 2.18 0.00 125 Q 8.36 4.57 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 126 F 8.02 5.08 0.00 2.75 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 0.00 127 S 8.35 4.63 0.00 3.98 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 0.00 128 K 8.22 4.39 0.00 1.71 1.81 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.47 7.81 129 R 8.01 4.14 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00