NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4472 8.3049 120.3491 55.8063 34.3380 176.7873 2 N 4.2535 8.1835 115.1353 55.9383 38.7728 174.7139 3 R 4.1149 8.0157 119.5013 56.0140 29.4121 175.8937 4 G 4.0337 8.7368 111.2941 48.5609 0.0000 172.3888 5 A 4.4304 7.7939 129.4130 50.4070 16.9341 182.5390 6 L 3.1054 8.4787 115.0911 58.0232 44.9516 176.6532 7 I 3.6417 8.0628 121.5999 64.4731 37.1159 178.2562 8 K 4.2111 7.8061 118.6986 59.0491 32.2057 179.0608 9 L 4.0227 7.9123 117.4889 57.9881 41.6514 178.8652 10 V 3.6864 8.1996 119.8577 64.7086 31.2009 177.2402 11 E 4.0877 8.2726 117.9130 59.2951 29.6186 180.5529 12 S 3.8513 7.6992 114.8611 58.4647 62.0875 174.5553 13 R 4.6488 9.3232 117.8307 57.2454 29.9709 177.0376 14 Y 4.5675 7.8810 115.0354 57.8986 39.9436 177.0489 15 V 3.6866 7.3857 112.0852 61.4182 32.4415 176.4898 16 R 4.5928 8.3676 122.5059 56.5408 32.2583 175.1504 17 T 4.5559 8.2358 108.6249 63.5604 72.4704 174.4228 18 D 4.7776 8.1171 119.1681 53.1389 39.7714 175.7455 19 L 4.2674 7.6747 120.4566 53.4406 42.2037 174.4614 20 P 4.2869 0.0000 0.0000 62.3980 30.6448 175.6261 21 E 3.9490 8.6278 125.1483 56.0973 29.9459 176.0581 22 F 5.0740 7.4860 119.8086 55.6180 40.7534 173.0741 23 R 4.5691 8.2920 116.8510 54.7615 32.4531 174.9461 24 P 4.7079 0.0000 0.0000 66.7065 30.0088 177.1676 25 G 3.5260 9.4605 107.2126 44.4828 0.0000 174.8337 26 D 4.4832 7.8016 118.1174 53.9258 45.7894 175.3529 27 T 4.5431 7.2013 120.6558 60.6626 71.5503 172.2889 28 V 4.2047 7.6176 115.6049 63.4020 34.1719 171.6841 29 R 4.6126 9.1578 126.9967 56.0603 33.1329 173.4626 30 V 3.1655 7.6214 115.4887 60.5182 35.5229 173.9667 31 S 4.6441 7.9464 111.8752 58.2088 65.3631 171.5202 32 Y 4.1693 7.9412 118.1144 55.5014 38.6456 173.0076 33 K 3.6163 9.1012 132.6400 55.5166 29.9472 176.2042 34 V 4.4591 8.3714 124.1295 60.1644 30.6776 174.7548 35 K 4.6200 7.5869 124.6443 55.0286 35.8053 175.7613 36 E 3.8335 9.7013 116.4065 57.1534 27.8683 174.8848 37 G 3.9747 8.5345 101.6182 45.3085 0.0000 173.4989 38 N 5.0877 8.2079 116.2288 51.0240 40.8521 174.5660 39 R 4.7433 8.3637 117.3921 56.1328 29.9558 174.4149 40 T 4.6545 7.0466 108.0116 60.7931 72.0235 169.3638 41 R 3.7057 8.7211 128.6738 56.1937 30.6507 175.6367 42 I 4.4965 8.3231 118.3004 59.1340 39.6290 174.4587 43 Q 4.5929 8.8705 128.4256 54.4720 31.1290 175.2161 44 D 4.8281 8.5866 125.9598 54.6395 42.8533 176.6119 45 F 5.0257 8.3214 118.3675 58.2235 41.1551 170.9863 46 E 4.0269 8.5028 123.5742 55.4585 29.6368 175.7059 47 G 3.7586 7.4268 111.4503 45.3052 0.0000 171.8950 48 I 4.3120 8.0494 120.6357 60.5533 39.0934 175.7915 49 V 4.6290 8.2090 125.0750 60.7656 32.8056 176.2056 50 I 4.1722 8.5747 126.1719 62.0982 39.2593 175.7394 51 R 4.7210 7.7419 120.8552 54.7784 33.7979 174.1328 52 I 4.9316 8.4046 125.5045 59.6307 39.7816 174.4937 53 R 4.3925 8.7892 128.8330 55.0498 30.6961 175.5202 54 R 4.5719 8.4381 125.7277 55.3593 31.6001 176.0012 55 N 4.5051 8.7649 117.0332 53.3092 41.9472 176.9526 56 G 3.8448 9.0565 111.4781 45.8082 0.0000 177.5024 57 F 4.5916 9.6913 127.2808 59.1975 41.7538 174.0317 58 N 3.5359 5.7700 114.8779 54.4199 35.3682 173.8229 59 T 4.5934 7.4244 111.3385 60.6773 71.8120 174.3852 60 T 5.5399 8.2354 115.5578 60.4324 72.3024 172.6085 61 F 5.4112 7.9454 113.8197 57.0248 41.1555 172.9022 62 T 5.1795 9.5879 109.6207 60.1133 72.6333 172.8503 63 V 4.8963 8.9445 122.6812 61.2835 35.1371 173.9012 64 R 5.1560 9.2446 128.6273 54.6800 31.9826 174.7076 65 K 4.6607 9.7720 127.6394 54.6878 36.2826 175.1522 66 V 4.3715 8.4067 126.6702 61.8909 32.0568 175.1745 67 S 4.5191 8.7488 125.4675 57.5782 64.7483 174.8642 68 Y 3.3378 8.1218 125.1130 58.8448 36.3550 172.0376 69 G 3.7498 9.1550 111.4384 49.7319 0.0000 174.0241 70 V 3.8358 7.7935 119.9132 62.0932 32.3287 174.2645 71 G 4.4155 8.4821 111.0824 44.5139 0.0000 172.7737 72 V 4.6368 10.5015 125.3986 61.1589 34.3474 174.1028 73 E 5.3804 8.7373 125.2987 54.6186 32.4565 175.3603 74 R 4.2940 9.2491 123.2998 54.2240 33.1988 174.5583 75 I 4.6637 8.1207 124.6192 59.5494 39.0744 175.0038 76 F 5.1724 8.7366 126.1065 55.0121 41.6942 174.7295 77 P 4.2752 0.0000 0.0000 63.0263 31.3380 177.6091 78 L 4.2162 8.8404 118.7858 55.7072 40.7490 172.5559 79 H 4.7547 7.8080 112.0217 56.3377 33.3159 172.4560 80 S 4.0580 8.8363 119.5805 57.0612 61.0316 167.1971 81 P 4.7308 0.0000 0.0000 62.5503 32.1491 176.7074 82 L 4.6370 7.6565 118.8191 53.7237 42.8824 176.6168 83 I 3.6656 8.2405 118.2418 63.0718 37.6978 176.9342 84 Q 4.8795 7.4480 119.2466 53.9266 31.6621 175.6212 85 K 4.5296 8.3083 115.3955 54.1966 33.2193 175.9707 86 I 3.8030 7.9184 118.6306 61.8458 38.9555 174.0385 87 D 4.8040 8.5268 126.5950 53.3679 42.0211 176.4376 88 I 3.6781 8.1187 121.7504 62.5020 36.9475 178.2192 89 V 4.1260 8.7628 135.0000 61.6463 32.2648 174.8243 90 Q 4.1361 9.1010 124.5281 58.3118 27.8678 181.6016 91 R 3.2038 7.7652 113.5315 53.3505 33.2857 180.9443 92 G 3.7944 9.0373 105.8270 46.2125 0.0000 174.3871 93 R 3.7998 9.6364 114.8793 56.3834 28.9922 175.7406 94 A 4.0221 7.6066 121.6252 52.9690 18.3558 178.8382 95 R 4.3267 8.6309 121.2805 56.6322 30.2527 176.1348 96 R 4.5628 7.3809 112.4390 54.3881 32.4104 174.2860 97 A 3.8781 8.2840 120.9329 54.5630 18.2183 177.9078 98 K 4.4247 8.2878 115.3175 54.4878 34.0191 177.7679 99 L 4.9896 7.8757 122.6385 54.3550 40.2308 175.6681 100 Y 4.3215 8.7779 124.6616 60.4636 38.7304 177.6412 101 F 3.8315 8.8674 114.5146 59.2121 37.8033 176.5112 102 I 3.2893 7.1552 113.7553 62.7444 38.6888 177.4188 103 R 3.6380 8.7828 116.2147 59.3241 29.8388 177.3694 104 N 3.7884 9.4951 116.0592 57.7322 38.7588 175.6442 105 L 4.0985 8.6708 132.0655 55.7989 41.6858 176.5722 106 S 4.7400 8.3626 116.8645 55.6484 67.4376 174.7736 107 D 4.9054 8.4216 127.2601 54.2728 37.8317 177.5431 108 R 4.3718 5.8400 114.9740 57.1645 31.8707 179.4199 109 E 4.0102 8.4302 117.7712 59.0383 29.9727 178.8846 110 I 3.5945 8.0665 119.8122 64.5230 37.0935 177.4759 111 R 4.5010 7.6604 113.6572 56.0356 29.1510 176.9535 112 R 4.5831 8.2002 114.4038 56.1087 30.9480 176.2561 113 K 4.4413 8.0871 116.5096 56.7742 33.9597 176.4969 114 L 4.6834 7.3437 118.6365 53.0483 40.9742 175.6647 115 R 4.2898 7.6435 120.4740 54.2925 31.9986 176.2440 116 A 4.1711 8.2951 121.6968 53.0149 19.0520 177.1821 117 D 4.8926 8.0937 117.6439 51.2053 41.0925 176.1337 118 R 3.8706 8.2727 122.6518 59.1565 29.9996 177.7671 119 K 3.9794 8.0183 118.7178 59.8908 32.0331 178.2190 120 R 4.1914 7.9706 115.5390 58.4275 30.6058 178.2729 121 I 3.7794 7.9480 120.2817 65.0086 37.0279 177.3533 122 D 4.3508 9.8267 118.9888 58.0215 40.6140 179.0185 123 Q 3.9960 7.8327 118.1551 59.0418 28.9389 178.0824 124 D 4.6051 8.0912 120.7251 56.5617 41.3541 178.8085 125 R 3.9275 7.8883 118.0058 59.1361 29.9276 178.5753 126 A 4.0185 8.1593 119.7752 55.0692 18.3302 178.9451 127 A 4.2606 7.4591 115.3610 52.7250 18.3552 177.9284 128 E 3.8378 8.5288 120.8933 59.3277 29.4785 178.1001 129 R 3.8779 8.2099 114.5712 56.5681 29.0632 177.0966 130 A 4.3418 8.0047 119.7492 51.4337 17.2021 178.4599 131 A 4.8973 7.3851 119.2188 51.8475 20.6643 178.1930 132 K 4.4937 7.6133 132.1592 54.5025 32.1944 178.9849 133 E 3.6022 9.1294 122.3834 56.7566 26.7562 173.3487 134 E 4.6404 8.0542 120.9520 54.1212 33.7130 175.4848 135 A 5.0604 7.6152 135.0000 53.9821 20.1689 177.6756 136 Q 4.0978 8.0933 115.3029 58.4631 29.0209 176.2143 137 K 4.1503 7.7264 122.7174 56.5361 32.6204 175.4594 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 M 8.30 4.45 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.18 4.25 0.00 2.84 2.86 0.00 0.00 6.91 6.78 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 3 R 8.02 4.11 0.00 1.80 1.93 0.00 3.40 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 4 G 8.74 4.03 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 0.00 0.00 0.00 5 A 7.79 4.43 1.09 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 6 L 8.48 3.11 0.00 1.77 1.82 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.06 3.64 1.94 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 1.52 1.12 0.92 0.00 0.00 8 K 7.81 4.21 0.00 1.74 1.89 0.00 1.84 0.00 0.00 2.37 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.67 7.81 9 L 7.91 4.02 0.00 1.74 1.73 0.92 0.90 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 10 V 8.20 3.69 2.34 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 1.03 0.00 0.00 0.98 0.00 0.00 11 E 8.27 4.09 0.00 2.28 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 2.37 2.48 0.00 12 S 7.70 3.85 0.00 3.76 3.14 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 13 R 9.32 4.65 0.00 1.79 1.88 0.00 3.26 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 14 Y 7.88 4.57 0.00 2.84 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 15 V 7.39 3.69 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 0.60 0.00 0.00 0.92 0.00 0.00 16 R 8.37 4.59 0.00 1.82 1.94 0.00 3.74 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 17 T 8.24 4.56 4.26 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 1.23 0.00 0.00 18 D 8.12 4.78 0.00 2.83 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 19 L 7.67 4.27 0.00 1.71 1.76 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.29 0.00 2.12 2.10 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 21 E 8.63 3.95 0.00 1.90 1.86 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 2.22 2.16 0.00 22 F 7.49 5.07 0.00 3.08 2.92 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 23 R 8.29 4.57 0.00 1.90 1.91 0.00 2.95 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 24 P 0.00 4.71 0.00 2.12 2.16 0.00 3.71 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 25 G 9.46 3.53 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 0.00 26 D 7.80 4.48 0.00 2.67 2.73 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 27 T 7.20 4.54 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 0.85 0.00 0.00 28 V 7.62 4.20 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 0.86 0.00 0.00 0.84 0.00 0.00 29 R 9.16 4.61 0.00 1.77 1.79 0.00 3.38 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 30 V 7.62 3.17 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 0.81 0.00 0.00 1.04 0.00 0.00 31 S 7.95 4.64 0.00 3.16 3.86 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 32 Y 7.94 4.17 0.00 3.09 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.10 3.62 0.00 2.11 1.94 0.00 1.66 0.00 0.00 1.48 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.01 1.23 7.81 34 V 8.37 4.46 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 1.05 0.00 0.00 0.99 0.00 0.00 35 K 7.59 4.62 0.00 1.91 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.39 7.81 36 E 9.70 3.83 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 37 G 8.53 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 38 N 8.21 5.09 0.00 2.85 2.88 0.00 0.00 6.86 8.28 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 39 R 8.36 4.74 0.00 1.82 1.96 0.00 3.16 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 40 T 7.05 4.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 R 8.72 3.71 0.00 1.96 1.97 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 42 I 8.32 4.50 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 1.00 0.00 0.00 43 Q 8.87 4.59 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 44 D 8.59 4.83 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.32 5.03 0.00 3.16 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 46 E 8.50 4.03 0.00 1.88 1.72 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 2.16 2.17 0.00 47 G 7.43 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 0.00 0.00 0.00 48 I 8.05 4.31 1.78 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 1.20 0.67 0.86 0.00 0.00 49 V 8.21 4.63 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 0.75 0.00 0.00 1.09 0.00 0.00 50 I 8.57 4.17 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.82 0.53 0.00 0.00 51 R 7.74 4.72 0.00 1.50 1.58 0.00 3.13 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 52 I 8.40 4.93 1.89 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 1.32 0.82 0.97 0.00 0.00 53 R 8.79 4.39 0.00 1.96 1.87 0.00 3.11 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 54 R 8.44 4.57 0.00 1.76 1.86 0.00 3.31 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 55 N 8.76 4.51 0.00 2.61 2.72 0.00 0.00 7.10 7.98 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 56 G 9.06 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 57 F 9.69 4.59 0.00 2.82 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 58 N 5.77 3.54 0.00 2.69 2.62 0.00 0.00 5.75 7.71 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 59 T 7.42 4.59 4.49 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 1.33 0.00 0.00 60 T 8.24 5.54 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 1.18 0.00 0.00 61 F 7.95 5.41 0.00 3.35 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.59 5.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 63 V 8.94 4.90 2.33 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 0.61 0.00 0.00 1.14 0.00 0.00 64 R 9.24 5.16 0.00 1.85 1.70 0.00 3.24 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 65 K 9.77 4.66 0.00 1.29 1.68 0.00 1.71 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.42 7.81 66 V 8.41 4.37 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 0.89 0.00 0.00 0.90 0.00 0.00 67 S 8.75 4.52 0.00 3.96 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 68 Y 8.12 3.34 0.00 3.19 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 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 70 V 7.79 3.84 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 0.99 0.00 0.00 0.96 0.00 0.00 71 G 8.48 4.42 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 72 V 10.50 4.64 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 73 E 8.74 5.38 0.00 1.85 1.81 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 2.22 2.32 0.00 74 R 9.25 4.29 0.00 1.31 0.66 0.00 2.99 0.00 0.00 2.93 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 75 I 8.12 4.66 1.81 0.00 0.00 nan 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 0.37 0.91 0.00 0.00 76 F 8.74 5.17 0.00 1.53 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 0.00 0.00 0.00 77 P 0.00 4.28 0.00 2.10 1.98 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 78 L 8.84 4.22 0.00 2.15 2.02 1.05 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.81 4.75 0.00 3.15 3.30 0.00 5.94 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.84 4.06 0.00 3.99 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 81 P 0.00 4.73 0.00 1.65 1.78 0.00 3.58 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.15 0.00 82 L 7.66 4.64 0.00 1.61 1.64 0.82 0.91 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 83 I 8.24 3.67 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 0.95 0.00 0.00 84 Q 7.45 4.88 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.50 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 85 K 8.31 4.53 0.00 1.76 1.76 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.49 7.81 86 I 7.92 3.80 2.01 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 1.38 1.34 0.95 0.00 0.00 87 D 8.53 4.80 0.00 2.62 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 88 I 8.12 3.68 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.77 0.87 0.00 0.00 89 V 8.76 4.13 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 1.02 0.00 0.00 0.91 0.00 0.00 90 Q 9.10 4.14 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.40 6.14 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 91 R 7.77 3.20 0.00 1.84 2.03 0.00 3.30 0.00 0.00 3.22 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 92 G 9.04 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.64 3.80 0.00 2.16 2.04 0.00 3.40 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 94 A 7.61 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.63 4.33 0.00 1.78 1.94 0.00 3.38 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 96 R 7.38 4.56 0.00 1.95 1.82 0.00 2.99 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 97 A 8.28 3.88 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 98 K 8.29 4.42 0.00 1.92 2.18 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.53 7.81 99 L 7.88 4.99 0.00 2.05 1.81 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.78 4.32 0.00 3.11 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 0.00 101 F 8.87 3.83 0.00 3.22 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 0.00 102 I 7.16 3.29 1.61 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 1.37 0.45 0.23 0.00 0.00 103 R 8.78 3.64 0.00 1.98 1.84 0.00 3.37 0.00 0.00 3.31 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 104 N 9.50 3.79 0.00 2.73 2.69 0.00 0.00 6.85 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.67 4.10 0.00 1.66 1.69 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.36 4.74 0.00 3.83 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 0.00 107 D 8.42 4.91 0.00 2.86 2.57 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 0.00 108 R 5.84 4.37 0.00 1.97 2.19 0.00 2.78 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 109 E 8.43 4.01 0.00 2.21 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 2.42 2.35 0.00 110 I 8.07 3.59 1.81 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.83 0.00 0.00 111 R 7.66 4.50 0.00 1.94 1.98 0.00 2.98 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 112 R 8.20 4.58 0.00 1.87 2.19 0.00 3.05 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 113 K 8.09 4.44 0.00 2.10 2.05 0.00 1.90 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.51 7.81 114 L 7.34 4.68 0.00 1.56 1.61 0.97 1.07 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 0.00 115 R 7.64 4.29 0.00 1.81 1.89 0.00 3.46 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 116 A 8.30 4.17 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 0.00 117 D 8.09 4.89 0.00 2.80 2.57 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 0.00 118 R 8.27 3.87 0.00 1.89 2.30 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 119 K 8.02 3.98 0.00 1.82 2.05 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.58 7.81 120 R 7.97 4.19 0.00 1.82 1.97 0.00 3.28 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 121 I 7.95 3.78 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 1.52 0.84 0.91 0.00 0.00 122 D 9.83 4.35 0.00 2.74 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 0.00 123 Q 7.83 4.00 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.86 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 124 D 8.09 4.61 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.89 3.93 0.00 1.96 1.97 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.64 0.00 126 A 8.16 4.02 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 0.00 127 A 7.46 4.26 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 0.00 128 E 8.53 3.84 0.00 2.18 2.44 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 2.30 2.51 0.00 129 R 8.21 3.88 0.00 1.86 2.17 0.00 3.41 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 130 A 8.00 4.34 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.39 4.90 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 0.00 132 K 7.61 4.49 0.00 1.88 1.13 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.40 7.81 133 E 9.13 3.60 0.00 2.10 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 2.22 2.31 0.00 134 E 8.05 4.64 0.00 1.90 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 2.21 2.30 0.00 135 A 7.62 5.06 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 0.00 136 Q 8.09 4.10 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 137 K 7.73 4.15 0.00 1.76 1.54 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.41 7.81