NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6140 8.3649 120.5319 53.7190 42.8936 175.6322 2 C 4.8136 7.7557 116.3371 53.5383 44.5280 171.4565 3 P 4.4814 0.0000 0.0000 62.0344 32.5228 176.0054 4 S 4.3846 8.4749 115.6943 60.1934 63.2072 173.8535 5 G 4.1067 9.2376 111.4625 44.9753 0.0000 173.5286 6 W 4.9594 8.1817 118.2314 55.6434 30.9988 176.1755 7 S 5.0498 9.6229 118.5054 56.9840 65.5314 173.1420 8 S 5.3010 8.8949 118.5942 57.4552 63.7097 172.9891 9 Y 4.1586 9.3505 127.7095 57.5925 41.6740 174.3459 10 E 3.4979 9.1286 126.6251 57.3046 26.5589 175.7645 11 G 3.9628 7.9175 105.0680 45.6805 0.0000 171.0399 12 H 5.2073 8.1191 115.9904 54.1395 33.2057 171.7525 13 C 5.6964 9.5197 118.0891 55.7154 41.2523 172.8776 14 Y 5.6196 9.9817 120.2012 56.3919 42.0658 174.6831 15 K 4.3311 8.5627 123.6560 54.2625 35.5692 173.1712 16 P 4.7300 0.0000 0.0000 61.9507 33.0381 175.2712 17 F 4.5012 8.4408 121.0297 55.0369 42.1745 175.4465 18 K 3.8533 8.3986 122.1986 56.9245 32.8003 176.5376 19 L 4.0772 7.2094 119.4722 55.0597 43.2309 175.6020 20 Y 4.9811 8.3800 120.5539 56.8909 38.6175 174.9319 21 K 4.9504 9.0838 123.4627 54.5309 37.4454 176.5546 22 T 5.6512 8.3282 111.2192 60.2318 70.1133 175.5450 23 W 2.5400 8.1290 130.8237 60.0524 30.3331 177.6156 24 D 4.3715 7.9822 118.2008 57.7372 40.3252 178.5034 25 D 4.2518 7.7947 118.4327 56.9815 40.6725 178.8958 26 A 2.9700 7.5943 121.4912 54.6663 18.2715 179.1260 27 E 3.3081 7.2268 118.0592 59.2529 29.2867 179.0325 28 R 3.7524 7.4597 117.2501 59.3380 30.4246 177.8423 29 F 4.1241 8.2570 120.6460 61.4780 39.3504 176.4834 30 C 4.4444 8.4422 116.5020 60.1826 39.8521 176.0540 31 T 3.9865 7.5971 111.2224 63.3661 68.2345 175.1013 32 E 4.3446 7.5377 119.4398 56.7595 30.3495 177.1406 33 Q 4.1936 7.8111 117.1717 56.5132 29.5695 175.2928 34 A 4.2346 6.7580 120.0781 50.7890 21.6882 175.2342 35 K 4.0850 8.4627 122.0373 57.7282 32.5225 177.2817 36 G 3.8428 8.9457 113.9496 45.6558 0.0000 173.3963 37 G 3.8918 7.7837 107.0709 46.7917 0.0000 172.9055 38 H 5.1773 8.6416 117.4808 54.3530 34.1102 173.1816 39 L 4.6490 8.6965 120.2908 54.4770 42.3634 178.0887 40 V 4.0693 8.7858 122.1282 62.3128 32.4808 175.2265 41 S 4.8347 9.2916 119.1208 56.6469 64.0686 174.0991 42 I 4.4657 8.3068 127.3254 60.3886 36.1969 175.0860 43 E 4.7143 9.5228 124.5621 55.9177 30.1581 176.7233 44 S 4.6623 7.5758 112.7164 56.4069 66.5896 175.7926 45 A 4.1728 8.5501 124.5908 55.1342 18.0618 180.3701 46 G 3.7112 8.0503 105.2700 47.5777 0.0000 175.4752 47 E 3.5534 8.2529 121.9519 58.6349 29.5780 178.7148 48 A 4.1040 8.1504 120.9926 55.2999 18.4464 179.3917 49 D 4.2736 8.2484 117.5225 57.3011 40.8879 178.7639 50 F 3.6517 8.0762 121.2909 61.1295 39.2057 177.4107 51 V 3.4594 8.0214 117.9460 65.7704 31.2323 177.7563 52 A 3.9722 8.1473 120.7073 55.2580 18.3620 179.4207 53 Q 3.7452 7.8583 118.0270 59.0523 29.2305 178.1059 54 L 3.6513 7.4653 121.3631 58.0001 42.0206 179.2139 55 V 3.3224 7.7529 118.3924 66.2393 31.1900 178.1270 56 T 3.7963 7.5971 114.3555 66.3399 68.3641 175.6126 57 E 4.2938 7.6843 117.4849 57.0194 29.9315 176.5606 58 N 4.8859 7.3894 112.4511 52.5183 41.2040 174.1227 59 I 3.8719 7.7937 117.1204 63.1719 39.0760 177.4066 60 Q 3.0747 7.5605 115.3357 57.5232 26.2861 172.7789 61 N 4.6990 7.9586 123.5569 53.4244 41.4880 176.1131 62 T 3.5491 9.0056 110.9622 63.6627 66.2509 170.7371 63 K 4.3390 7.4201 118.1495 55.7775 36.5752 173.6358 64 S 3.7468 8.1588 119.7034 58.3339 62.1996 170.6885 65 Y 4.8084 8.3473 120.0062 56.5933 40.7586 175.1415 66 V 4.5216 8.6266 119.8123 60.7707 33.0396 174.9444 67 W 5.4083 8.8486 128.8801 57.4275 30.1019 175.3710 68 I 4.9053 8.4785 115.7984 58.8293 40.3246 175.5859 69 G 3.9814 9.3031 110.5358 45.9811 0.0000 173.2193 70 L 4.3804 7.5797 122.5963 53.3850 42.8132 175.5787 71 R 4.3617 7.7517 120.7505 54.7659 31.9700 174.3224 72 V 3.6531 7.5970 118.6167 62.4480 31.6720 175.7522 73 Q 3.8811 8.7515 127.0916 58.9959 28.7714 177.2710 74 G 4.3731 7.6825 103.2363 45.2999 0.0000 172.7539 75 K 4.4163 8.2206 117.9662 55.9435 32.7180 175.8816 76 E 4.2332 7.7440 116.4945 55.5470 30.2231 177.7517 77 K 3.7318 8.2808 120.4777 58.0221 32.7801 177.5484 78 Q 4.4180 7.4788 114.3242 54.5181 31.4208 173.4096 79 C 4.6388 8.4597 117.8183 59.4416 30.1547 173.8373 80 S 3.7004 8.5424 120.0556 59.4799 60.3396 172.0090 81 S 4.6631 8.0099 114.9717 56.8970 64.0695 173.7586 82 E 4.6870 8.2819 124.2471 53.6741 32.4896 176.0341 83 W 4.3895 8.4080 121.7196 56.6025 29.6940 177.8914 84 S 4.4708 9.0198 116.5305 61.3817 62.4009 175.3471 85 D 4.4303 8.1776 118.9781 54.4226 39.3212 176.9361 86 G 4.0906 8.6000 108.8438 45.2876 0.0000 174.2269 87 S 4.5445 9.7069 115.7569 57.6798 64.0891 173.9915 88 S 4.6823 8.4639 117.6213 58.1958 63.4456 174.1900 89 V 4.4727 8.1585 122.7700 60.9849 32.0712 174.2917 90 S 4.5881 8.5978 118.6202 60.0654 65.5051 173.5761 91 Y 4.4014 8.0117 121.7076 57.5412 39.3932 174.7932 92 E 4.3768 7.4359 122.5445 55.2813 32.7324 174.2425 93 N 4.9297 7.7928 117.1190 52.4454 39.1734 174.7451 94 W 4.2436 7.9908 117.8211 56.7119 30.4602 176.5653 95 I 4.1850 8.3844 123.0516 60.4996 37.9671 176.6843 96 E 3.8703 9.0715 124.6974 59.6474 29.4124 179.0739 97 A 2.8452 7.4424 118.8079 53.5863 18.4902 177.6979 98 E 4.2747 8.0584 114.3984 57.2196 29.9753 177.1991 99 S 4.1220 7.5774 114.0704 56.9176 60.9602 173.2721 100 K 4.4375 7.9655 127.3455 55.0028 30.8428 176.4868 101 T 4.3135 7.7188 108.7532 61.2165 69.5824 175.4543 102 C 5.2106 7.8777 119.1207 55.4057 41.9168 172.5929 103 L 5.5537 8.4569 118.4161 53.3204 45.5641 176.1570 104 G 4.3178 8.9402 108.1629 44.6848 0.0000 171.6321 105 L 5.3950 9.2136 122.3157 53.9974 43.6494 175.8248 106 E 4.9000 8.6533 118.7573 53.7153 33.0502 175.9568 107 K 2.4868 8.4439 122.6221 59.7079 31.9262 178.7480 108 E 3.8840 8.0039 116.7585 58.7252 29.6432 178.2979 109 T 4.5935 7.3296 108.8703 61.0106 69.7455 175.3347 110 G 3.7800 8.3305 107.2835 46.9603 0.0000 174.5687 111 F 4.0718 7.9459 114.8380 58.4224 36.7372 175.9617 112 R 4.7540 8.0567 116.1041 55.6843 30.9339 175.6167 113 K 4.6203 7.9725 117.0956 54.2399 35.2375 175.7253 114 W 4.8720 8.7140 124.3905 56.0887 30.0233 175.7446 115 V 4.3020 8.7563 126.3143 61.1298 32.8366 174.7497 116 N 5.1451 8.8521 126.1206 53.5600 39.1031 174.3120 117 I 4.7399 8.9680 117.0702 58.8671 42.2026 174.0491 118 Y 4.6483 8.6537 124.1401 57.8439 39.3853 177.7200 119 C 4.2282 8.7832 124.6706 59.4690 40.4693 175.1528 120 G 3.2857 5.3800 106.2086 45.5149 0.0000 173.5153 121 Q 4.3490 7.8562 122.0366 56.2715 30.6816 175.1555 122 Q 5.2619 8.7713 122.1800 54.5485 30.4528 174.4749 123 N 5.4165 9.3452 121.2930 50.4067 43.7831 172.5439 124 P 5.5672 0.0000 0.0000 62.7251 33.8334 174.0895 125 F 5.1864 7.8765 113.3815 56.5139 41.6602 172.7187 126 V 4.8028 8.2804 114.6611 61.7507 34.5635 174.1697 127 C 5.4709 9.4439 125.4873 55.9012 37.5616 172.2842 128 E 5.3003 9.6170 121.3362 54.6084 33.3157 175.2139 129 A 4.2636 8.7850 126.5492 52.2217 19.6338 175.7837 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 D 8.36 4.61 0.00 2.68 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 2 C 7.76 4.81 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 3 P 0.00 4.48 0.00 1.80 1.85 0.00 2.94 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.77 0.00 4 S 8.47 4.38 0.00 4.03 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 5 G 9.24 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.18 4.96 0.00 3.27 3.27 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 7 S 9.62 5.05 0.00 4.05 4.07 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 8 S 8.89 5.30 0.00 3.98 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 9 Y 9.35 4.16 0.00 1.43 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 0.00 0.00 0.00 10 E 9.13 3.50 0.00 1.38 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 11 G 7.92 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 12 H 8.12 5.21 0.00 3.04 2.96 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.52 5.70 0.00 2.74 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.98 5.62 0.00 3.07 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 15 K 8.56 4.33 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.87 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.65 7.81 16 P 0.00 4.73 0.00 1.78 1.75 0.00 3.31 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 17 F 8.44 4.50 0.00 1.51 2.22 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 18 K 8.40 3.85 0.00 1.63 1.69 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.29 7.81 19 L 7.21 4.08 0.00 1.51 1.50 0.44 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.38 4.98 0.00 2.93 2.96 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 21 K 9.08 4.95 0.00 1.57 1.54 0.00 1.55 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 22 T 8.33 5.65 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 1.26 0.00 0.00 23 W 8.13 2.54 0.00 1.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.98 4.37 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 25 D 7.79 4.25 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.59 2.97 0.32 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 27 E 7.23 3.31 0.00 1.16 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 1.98 2.11 0.00 28 R 7.46 3.75 0.00 1.89 1.99 0.00 3.45 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 29 F 8.26 4.12 0.00 3.03 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 30 C 8.44 4.44 0.00 3.17 3.27 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 31 T 7.60 3.99 4.13 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 1.17 0.00 0.00 32 E 7.54 4.34 0.00 1.80 1.84 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 2.16 2.46 0.00 33 Q 7.81 4.19 0.00 2.38 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 34 A 6.76 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.46 4.09 0.00 1.65 1.65 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 36 G 8.95 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 0.00 0.00 0.00 37 G 7.78 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 38 H 8.64 5.18 0.00 3.10 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.70 4.65 0.00 1.39 1.64 -0.31 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.79 4.07 2.38 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 0.91 0.00 0.00 1.27 0.00 0.00 41 S 9.29 4.83 0.00 4.02 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 42 I 8.31 4.47 2.23 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 1.61 0.69 1.28 0.00 0.00 43 E 9.52 4.71 0.00 2.14 2.07 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 2.37 2.35 0.00 44 S 7.58 4.66 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 45 A 8.55 4.17 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 46 G 8.05 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 47 E 8.25 3.55 0.00 2.30 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 2.46 2.46 0.00 48 A 8.15 4.10 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 49 D 8.25 4.27 0.00 2.90 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 50 F 8.08 3.65 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.02 3.46 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 1.09 0.00 0.00 1.02 0.00 0.00 52 A 8.15 3.97 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.86 3.75 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 54 L 7.47 3.65 0.00 1.52 1.59 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.75 3.32 1.62 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 -0.08 0.00 0.00 0.77 0.00 0.00 56 T 7.60 3.80 4.31 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 1.24 0.00 0.00 57 E 7.68 4.29 0.00 1.90 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 2.29 2.37 0.00 58 N 7.39 4.89 0.00 2.62 2.56 0.00 0.00 6.76 7.33 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 59 I 7.79 3.87 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.81 0.00 0.00 60 Q 7.56 3.07 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 61 N 7.96 4.70 0.00 2.76 3.11 0.00 0.00 7.17 7.22 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 62 T 9.01 3.55 4.22 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 1.18 0.00 0.00 63 K 7.42 4.34 0.00 1.69 1.59 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.36 7.81 64 S 8.16 3.75 0.00 4.07 4.06 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 65 Y 8.35 4.81 0.00 2.55 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 66 V 8.63 4.52 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 0.93 0.00 0.00 0.86 0.00 0.00 67 W 8.85 5.41 0.00 3.40 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.48 4.91 1.77 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.98 0.00 0.00 69 G 9.30 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 0.00 0.00 0.00 70 L 7.58 4.38 0.00 1.32 1.24 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.75 4.36 0.00 1.42 1.08 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.00 0.00 72 V 7.60 3.65 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.80 0.00 0.00 73 Q 8.75 3.88 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 74 G 7.68 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 0.00 0.00 0.00 0.00 75 K 8.22 4.42 0.00 1.62 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.35 7.81 76 E 7.74 4.23 0.00 2.01 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 2.34 2.33 0.00 77 K 8.28 3.73 0.00 1.63 0.81 0.00 1.24 0.00 0.00 1.37 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.24 7.81 78 Q 7.48 4.42 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 79 C 8.46 4.64 0.00 2.90 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 80 S 8.54 3.70 0.00 3.93 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 81 S 8.01 4.66 0.00 3.75 3.68 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 82 E 8.28 4.69 0.00 1.93 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 2.22 2.28 0.00 83 W 8.41 4.39 0.00 3.63 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 84 S 9.02 4.47 0.00 4.04 4.10 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 0.00 0.00 0.00 85 D 8.18 4.43 0.00 2.82 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 86 G 8.60 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 0.00 0.00 0.00 87 S 9.71 4.54 0.00 3.98 4.06 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 88 S 8.46 4.68 0.00 3.97 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 89 V 8.16 4.47 1.63 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 0.72 0.00 0.00 0.94 0.00 0.00 90 S 8.60 4.59 0.00 3.98 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 91 Y 8.01 4.40 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.44 4.38 0.00 2.12 1.84 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 2.27 2.30 0.00 93 N 7.79 4.93 0.00 2.42 2.62 0.00 0.00 7.07 7.95 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 94 W 7.99 4.24 0.00 3.25 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 95 I 8.38 4.19 1.93 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 1.42 0.63 0.89 0.00 0.00 96 E 9.07 3.87 0.00 1.96 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 2.43 2.35 0.00 97 A 7.44 2.85 0.77 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 98 E 8.06 4.27 0.00 2.44 2.35 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 2.36 2.45 0.00 99 S 7.58 4.12 0.00 3.48 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 0.00 100 K 7.97 4.44 0.00 1.80 1.82 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.49 7.81 101 T 7.72 4.31 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 1.02 0.00 0.00 102 C 7.88 5.21 0.00 3.10 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 0.00 103 L 8.46 5.55 0.00 1.52 1.56 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.94 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 0.00 0.00 0.00 0.00 105 L 9.21 5.40 0.00 1.89 2.06 1.22 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.65 4.90 0.00 1.91 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 2.48 2.34 0.00 107 K 8.44 2.49 0.00 1.51 1.61 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.43 7.81 108 E 8.00 3.88 0.00 2.08 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 2.25 2.30 0.00 109 T 7.33 4.59 4.24 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 1.27 0.00 0.00 110 G 8.33 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 0.00 111 F 7.95 4.07 0.00 3.28 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 0.00 112 R 8.06 4.75 0.00 1.83 1.94 0.00 3.12 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 113 K 7.97 4.62 0.00 1.64 1.71 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 114 W 8.71 4.87 0.00 3.31 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 0.00 115 V 8.76 4.30 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 0.85 0.00 0.00 1.12 0.00 0.00 116 N 8.85 5.15 0.00 2.65 2.90 0.00 0.00 6.86 7.45 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 0.00 117 I 8.97 4.74 1.75 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 0.22 0.00 0.00 118 Y 8.65 4.65 0.00 3.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.78 4.23 0.00 2.72 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 0.00 120 G 5.38 3.29 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 0.00 121 Q 7.86 4.35 0.00 2.53 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 122 Q 8.77 5.26 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 123 N 9.35 5.42 0.00 1.61 2.66 0.00 0.00 6.48 7.72 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 0.00 124 P 0.00 5.57 0.00 1.96 1.86 0.00 4.09 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 2.14 1.73 0.00 125 F 7.88 5.19 0.00 3.26 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 0.00 126 V 8.28 4.80 2.19 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 1.20 0.00 0.00 0.86 0.00 0.00 127 C 9.44 5.47 0.00 2.99 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 9.62 5.30 0.00 1.93 1.73 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 1.97 1.47 0.00 129 A 8.79 4.26 1.04 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 0.00 0.00