NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2813 8.3049 118.1450 55.2294 32.5726 174.1709 2 Y 4.5326 7.9810 116.4087 53.9319 40.8390 175.2517 3 S 4.3934 8.6230 117.9381 58.2294 66.0658 174.8916 4 I 3.7094 8.2905 122.0762 64.4883 37.6166 177.9327 5 E 4.0781 8.1189 118.9724 59.1754 29.2981 179.2474 6 V 3.6321 7.8007 118.1044 65.8340 31.5759 178.4104 7 R 3.9280 8.2229 118.0017 59.5371 29.8016 179.1384 8 T 4.0285 8.2626 115.8670 66.8491 68.4202 176.2331 9 H 4.1592 8.5345 120.3473 59.4802 29.9627 177.4978 10 S 4.2432 8.4398 116.8668 61.5931 62.5989 176.5679 11 A 4.0272 8.2167 123.3875 54.8423 17.9285 179.5139 12 L 3.9949 7.9081 117.9367 58.5302 41.7668 179.4705 13 H 4.1882 8.0950 115.5845 58.6318 28.7268 178.1435 14 V 3.8714 7.6415 119.7275 66.0873 31.4495 178.1422 15 V 3.5168 8.2754 118.3886 65.7503 31.3125 177.8151 16 K 3.9018 8.4095 119.9189 59.4547 32.0220 178.9707 17 G 2.7665 7.9423 105.5198 47.3830 0.0000 175.5650 18 A 3.6354 7.7063 122.8044 54.5685 18.3540 179.8178 19 V 3.3399 7.7813 117.0570 66.2273 31.5423 178.5426 20 V 3.4484 7.4829 117.8154 65.6521 31.0460 178.1214 21 K 3.7284 7.3447 117.5520 59.2230 31.9077 179.2162 22 V 3.6919 7.4018 117.1679 65.6974 31.7269 177.5432 23 L 4.3168 8.0455 116.3917 54.8774 42.3708 177.4221 24 G 3.8343 8.1517 107.2160 44.1242 0.0000 173.9956 25 S 4.0329 8.4317 111.6170 61.1450 62.7571 176.1427 26 E 4.1321 8.2990 118.7858 58.1520 29.3420 177.0651 27 A 5.2439 8.0467 120.2358 50.8178 19.2255 177.6643 28 K 3.7546 7.6146 118.7278 59.2213 32.8850 177.0787 29 W 5.0564 7.6995 120.5404 55.2342 30.1090 175.1609 30 T 4.5314 8.6918 121.1462 64.1443 68.7140 174.6232 31 Y 4.3838 9.4143 128.5146 59.7906 39.6202 175.1925 32 S 4.8517 7.9448 111.5363 57.6434 65.9931 172.6882 33 T 5.3287 8.3596 112.6130 60.5721 72.1062 172.4326 34 Y 5.0354 8.7559 123.0391 56.5255 42.7533 173.6184 35 V 4.4834 7.8688 125.2286 60.8757 35.0335 174.8412 36 K 4.2848 8.5834 128.7129 55.7723 35.2418 175.6351 37 G 3.6595 8.6934 118.5079 47.2883 0.0000 173.2460 38 N 4.9387 8.5849 121.8800 51.4179 37.5804 173.6249 39 K 4.8157 8.0439 119.2363 54.9561 34.6662 175.5653 40 G 3.8015 8.2423 111.1132 44.0548 0.0000 171.5396 41 V 4.8218 8.5546 120.4690 60.7085 35.1488 173.7773 42 L 5.1428 9.1324 129.9709 53.3500 44.7692 174.7659 43 I 5.1642 8.9373 127.2180 59.7362 39.9636 175.1599 44 V 5.0662 8.6763 119.7258 59.1314 35.6999 175.2010 45 K 4.7588 9.1461 122.8876 56.8215 33.0384 176.1430 46 F 5.3643 9.1030 125.7585 57.5507 43.0028 173.1790 47 D 4.9454 6.5138 118.8620 52.2764 39.5306 175.4531 48 R 3.5010 6.0145 113.4276 55.2735 31.3652 173.8524 49 K 3.9207 7.7957 120.3686 54.5847 32.3429 174.9399 50 P 4.5652 0.0000 0.0000 62.4463 32.1185 176.9767 51 S 4.4687 9.0903 116.8592 58.0454 65.2297 175.2766 52 D 4.3937 8.5300 121.8397 57.3480 40.4668 178.7071 53 E 3.9388 8.1000 119.5177 59.2910 29.7466 178.5153 54 E 3.9532 8.2878 118.6239 59.5066 29.5367 179.4510 55 I 3.7160 7.8341 119.8019 64.4665 37.0726 178.7244 56 R 3.9809 8.1684 118.9223 59.2885 29.7582 179.0118 57 E 3.9827 8.3348 118.5483 59.3163 29.3754 179.4329 58 I 3.6793 7.8354 120.0126 64.2892 37.1763 178.0893 59 E 3.9037 8.2772 120.1827 59.1078 29.4516 178.7674 60 R 3.8841 8.2715 119.0096 59.5977 30.2301 178.5541 61 L 4.0816 8.3058 118.7706 57.6368 41.6640 179.3537 62 A 4.1506 8.3142 120.8675 55.4705 18.3517 179.5495 63 N 4.3218 8.3089 114.8755 56.3353 38.5363 177.6154 64 E 3.9110 8.2502 120.3193 59.0944 29.2706 179.2209 65 K 3.5612 7.6790 119.0617 58.9185 32.3786 178.9332 66 V 3.6185 7.4506 118.6333 65.9662 31.3000 178.2535 67 K 3.9583 7.8648 116.8592 59.3218 31.8967 178.6940 68 E 3.8577 7.9711 118.7928 56.7081 30.3026 175.8344 69 N 4.0855 7.8225 116.0462 54.4230 38.0021 173.5724 70 A 4.4202 7.7726 119.7670 50.8686 20.3889 176.7726 71 P 4.6573 0.0000 0.0000 62.9580 32.5998 176.5078 72 I 4.2541 8.2875 124.0064 59.8023 37.4363 175.3071 73 K 4.2462 8.8761 127.3511 55.9188 33.5996 176.2128 74 I 4.8693 8.1311 124.0032 59.7990 39.7854 174.3212 75 Y 4.5959 9.2615 125.6868 56.1611 40.2402 174.3658 76 E 5.1548 8.9173 126.0356 54.6159 31.5125 174.5199 77 L 4.7162 8.8305 126.3683 53.6908 44.8623 172.9835 78 P 4.6556 0.0000 0.0000 63.0833 31.8999 177.5705 79 R 3.9486 9.2686 124.2068 60.0235 29.8132 178.8483 80 E 3.9956 8.2096 117.5560 59.5177 29.5091 178.9901 81 E 4.0504 8.1853 117.8392 58.9072 29.6005 178.9280 82 A 4.1351 8.1517 121.1667 55.1217 18.4744 179.4523 83 E 3.9491 8.5069 117.3511 59.4369 29.3067 179.8193 84 K 3.9228 7.5695 117.2354 59.7865 32.2707 178.8853 85 M 3.8281 7.7023 116.9176 57.7627 32.1127 177.2581 86 F 4.7484 8.0944 116.2636 56.8880 41.1882 176.9734 87 G 3.9574 8.2859 107.8376 44.1904 0.0000 173.5193 88 E 4.3071 8.7523 115.1003 59.4177 29.5264 178.7896 89 D 4.4253 8.2645 118.4997 56.9688 41.1652 177.2198 90 M 4.4297 7.7735 115.1672 56.3536 31.5989 176.0575 91 Y 4.9490 7.8349 117.4421 57.3432 39.2984 174.4151 92 D 5.1134 8.4608 121.5922 52.6454 43.1491 176.2673 93 L 3.6501 8.7251 121.8006 57.9938 41.8161 177.1573 94 F 4.3459 7.9851 117.6030 54.7942 39.2806 173.9219 95 P 4.0972 0.0000 0.0000 61.7504 31.6950 176.7826 96 V 3.6505 8.2328 120.2332 62.6709 32.0551 174.3228 97 P 4.3557 0.0000 0.0000 62.8675 31.6742 177.2159 98 E 4.1704 8.6552 120.6076 58.4613 29.4899 177.5473 99 D 4.4445 7.9568 117.0244 53.8307 40.0352 176.3378 100 V 4.0307 7.5752 121.0307 62.2794 31.1075 175.3408 101 R 4.5154 8.4550 126.3101 56.5006 31.6891 176.0515 102 I 4.9770 7.7547 119.5802 59.3633 40.1239 174.7357 103 L 4.8613 8.8937 126.7423 52.8839 45.0155 175.5411 104 K 4.9881 8.5807 121.5273 54.8737 34.4732 175.1462 105 V 4.6183 9.1099 126.3342 60.9312 33.9295 174.4414 106 V 4.3728 8.7964 128.9028 62.0789 33.0537 174.7045 107 V 4.6869 9.2328 127.7237 61.2578 34.5890 174.0941 108 I 4.6769 8.8657 129.9392 59.2186 38.6040 175.1243 109 E 4.0483 8.8658 126.8311 58.3261 29.7496 177.6752 110 D 5.0450 9.0871 120.8962 54.9878 38.6535 173.4840 111 W 4.8204 7.9371 126.7997 58.1426 32.6857 174.6563 112 N 4.9146 8.6240 115.8123 52.2916 42.5157 172.6642 113 V 4.7819 8.2851 124.8135 61.0844 34.9850 173.6111 114 N 5.1372 8.9398 125.8603 52.1306 42.8889 173.0103 115 A 4.6031 9.0671 129.3624 52.2078 18.9097 176.4699 116 C 4.7756 8.8924 123.1335 58.5318 34.8051 173.4851 117 N 4.7632 8.9446 122.3357 52.6371 37.4386 174.9557 118 K 4.3159 7.6599 118.9042 55.5990 33.5781 175.7021 119 E 4.3746 8.1806 119.0378 56.3209 30.2462 175.8805 120 H 4.8629 8.1904 118.1139 53.8293 32.8677 173.1493 121 T 2.5747 7.8434 111.6510 60.5331 69.6294 175.1414 122 K 4.1059 8.8375 121.6789 58.6179 32.0280 177.4923 123 T 5.1182 7.6331 106.9300 58.9060 72.1466 174.7108 124 T 4.0443 8.8856 113.3710 64.5868 68.1807 177.0762 125 G 3.6395 8.0617 108.3849 47.5411 0.0000 175.2577 126 E 4.2033 7.6669 118.3994 58.5781 29.4408 179.0049 127 I 3.9119 7.4747 120.2115 62.4019 37.4673 177.0394 128 G 3.9301 7.5234 103.7818 43.6310 0.0000 170.7913 129 P 4.5809 0.0000 0.0000 63.0857 32.2585 175.8550 130 I 5.0754 9.0228 124.6434 59.3574 39.9074 174.9762 131 K 4.7327 9.0349 127.1992 54.6238 35.0115 174.9019 132 I 4.6253 9.2304 129.5280 60.5963 37.9601 174.3316 133 R 4.6211 9.1425 124.0401 55.8053 31.0656 180.1750 134 K 4.1717 9.0874 130.6068 57.4283 33.4056 174.0443 135 V 4.9850 8.3566 125.6422 61.2101 34.3347 174.3344 136 R 4.7237 9.2617 128.1060 54.4651 33.3213 173.4074 137 F 5.3042 8.9921 128.3469 56.7680 41.3062 175.1808 138 R 4.0014 8.6695 126.8997 54.7143 30.4676 177.5394 139 K 3.3368 8.3732 124.1857 59.3438 32.3640 180.0203 140 S 3.9425 7.8322 111.5280 60.9191 63.0191 175.2494 141 K 4.0286 7.2466 116.9120 55.8754 32.6725 176.4885 142 G 3.9270 7.7796 107.5970 46.8737 0.0000 173.1624 143 L 5.2748 7.2767 117.2074 52.4025 46.1630 176.3222 144 L 5.3084 9.2696 125.5440 53.5778 44.4860 174.6376 145 E 5.0751 9.6191 127.0002 54.9677 31.6915 175.1187 146 I 4.7497 9.0488 126.0390 59.9744 40.1245 174.2023 147 H 5.2721 9.4855 125.9372 54.4096 30.5970 174.6325 148 F 5.5124 8.7216 117.2967 55.3799 42.1004 172.8620 149 E 5.1647 9.5273 119.5513 54.5039 33.3921 174.1396 150 L 4.8598 8.7533 126.5290 53.8597 41.7448 177.1039 151 L 4.1468 8.8188 125.3108 56.6945 42.4147 177.2431 152 E 4.5259 8.0099 118.1460 54.3592 30.1055 175.7330 153 L 4.1317 8.5538 125.2172 57.1915 42.0815 177.8577 154 E 4.4281 7.9490 118.7917 55.3459 30.8826 176.5449 155 N 4.5333 8.7409 116.9498 52.9849 37.5314 175.8321 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 4.28 0.00 2.06 2.12 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 2.36 2.58 0.00 2 Y 7.98 4.53 0.00 3.06 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 3 S 8.62 4.39 0.00 4.07 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 4 I 8.29 3.71 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 1.64 1.63 0.91 0.00 0.00 5 E 8.12 4.08 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 6 V 7.80 3.63 2.32 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 1.14 0.00 0.00 1.02 0.00 0.00 7 R 8.22 3.93 0.00 2.12 2.00 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 8 T 8.26 4.03 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 9 H 8.53 4.16 0.00 3.31 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.44 4.24 0.00 4.06 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 11 A 8.22 4.03 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 12 L 7.91 3.99 0.00 1.78 1.71 0.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.10 4.19 0.00 3.36 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.64 3.87 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 1.06 0.00 0.00 0.91 0.00 0.00 15 V 8.28 3.52 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 0.88 0.00 0.00 0.23 0.00 0.00 16 K 8.41 3.90 0.00 1.92 1.93 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.39 7.81 17 G 7.94 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 0.00 0.00 0.00 18 A 7.71 3.64 1.51 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 0.00 0.00 19 V 7.78 3.34 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 0.78 0.00 0.00 0.87 0.00 0.00 20 V 7.48 3.45 1.76 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 0.84 0.00 0.00 0.71 0.00 0.00 21 K 7.34 3.73 0.00 1.63 1.69 0.00 1.63 0.00 0.00 1.37 0.00 0.00 2.55 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.81 0.85 7.81 22 V 7.40 3.69 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 0.82 0.00 0.00 0.90 0.00 0.00 23 L 8.05 4.32 0.00 1.33 1.32 0.06 0.81 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 24 G 8.15 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 0.00 0.00 0.00 25 S 8.43 4.03 0.00 3.92 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 26 E 8.30 4.13 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 27 A 8.05 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.61 3.75 0.00 1.29 1.61 0.00 1.27 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.71 0.21 7.81 29 W 7.70 5.06 0.00 3.52 3.15 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 30 T 8.69 4.53 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 1.36 0.00 0.00 31 Y 9.41 4.38 0.00 3.01 3.21 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 32 S 7.94 4.85 0.00 3.89 3.82 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 33 T 8.36 5.33 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 1.29 0.00 0.00 34 Y 8.76 5.04 0.00 3.01 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 35 V 7.87 4.48 1.98 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 0.78 0.00 0.00 0.90 0.00 0.00 36 K 8.58 4.28 0.00 1.31 1.36 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.32 7.81 37 G 8.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.58 4.94 0.00 3.00 3.04 0.00 0.00 6.57 7.81 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 39 K 8.04 4.82 0.00 1.67 1.60 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.30 1.46 7.81 40 G 8.24 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 41 V 8.55 4.82 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 0.81 0.00 0.00 0.87 0.00 0.00 42 L 9.13 5.14 0.00 1.98 1.65 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.94 5.16 2.18 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 1.30 0.72 1.04 0.00 0.00 44 V 8.68 5.07 2.27 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 0.77 0.00 0.00 0.93 0.00 0.00 45 K 9.15 4.76 0.00 1.94 1.92 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.78 7.81 46 F 9.10 5.36 0.00 2.98 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 47 D 6.51 4.95 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 48 R 6.01 3.50 0.00 1.56 1.51 0.00 2.91 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.40 0.00 49 K 7.80 3.92 0.00 1.74 1.71 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.54 7.81 50 P 0.00 4.57 0.00 2.07 1.94 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 51 S 9.09 4.47 0.00 4.02 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 52 D 8.53 4.39 0.00 2.72 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 53 E 8.10 3.94 0.00 2.08 1.94 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 2.38 2.46 0.00 54 E 8.29 3.95 0.00 2.22 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 2.32 2.35 0.00 55 I 7.83 3.72 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.22 0.93 0.00 0.00 56 R 8.17 3.98 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 57 E 8.33 3.98 0.00 2.16 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 2.48 2.49 0.00 58 I 7.84 3.68 2.01 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 1.47 0.70 0.86 0.00 0.00 59 E 8.28 3.90 0.00 2.06 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 2.31 2.32 0.00 60 R 8.27 3.88 0.00 1.97 2.09 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 61 L 8.31 4.08 0.00 1.89 2.18 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.31 4.15 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 63 N 8.31 4.32 0.00 2.96 2.85 0.00 0.00 7.09 7.12 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 64 E 8.25 3.91 0.00 2.10 1.90 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 2.29 2.44 0.00 65 K 7.68 3.56 0.00 0.79 1.56 0.00 1.20 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 1.04 7.81 66 V 7.45 3.62 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 1.04 0.00 0.00 0.91 0.00 0.00 67 K 7.86 3.96 0.00 1.84 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.56 7.81 68 E 7.97 3.86 0.00 1.92 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 2.21 2.22 0.00 69 N 7.82 4.09 0.00 2.81 2.76 0.00 0.00 7.16 7.24 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 70 A 7.77 4.42 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 71 P 0.00 4.66 0.00 2.06 2.04 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 72 I 8.29 4.25 1.93 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 1.17 0.56 0.79 0.00 0.00 73 K 8.88 4.25 0.00 1.92 1.60 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 74 I 8.13 4.87 1.82 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 1.28 0.86 0.91 0.00 0.00 75 Y 9.26 4.60 0.00 2.96 3.02 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 0.00 0.00 0.00 76 E 8.92 5.15 0.00 1.98 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 2.22 2.31 0.00 77 L 8.83 4.72 0.00 1.81 1.83 0.99 0.88 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 78 P 0.00 4.66 0.00 2.12 2.06 0.00 3.66 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 2.13 0.00 79 R 9.27 3.95 0.00 1.99 2.00 0.00 3.40 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 80 E 8.21 4.00 0.00 2.12 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 2.42 2.50 0.00 81 E 8.19 4.05 0.00 2.14 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 2.41 2.33 0.00 82 A 8.15 4.14 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.51 3.95 0.00 2.22 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 2.50 2.61 0.00 84 K 7.57 3.92 0.00 1.77 1.81 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 85 M 7.70 3.83 0.00 1.20 1.66 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.81 0.00 86 F 8.09 4.75 0.00 3.01 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 87 G 8.29 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 88 E 8.75 4.31 0.00 2.54 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 89 D 8.26 4.43 0.00 2.68 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 90 M 7.77 4.43 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.17 0.00 91 Y 7.83 4.95 0.00 3.30 2.90 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 92 D 8.46 5.11 0.00 2.82 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 93 L 8.73 3.65 0.00 1.82 1.92 0.69 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.99 4.35 0.00 2.95 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 95 P 0.00 4.10 0.00 1.57 0.62 0.00 3.48 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 96 V 8.23 3.65 2.26 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 0.87 0.00 0.00 1.15 0.00 0.00 97 P 0.00 4.36 0.00 2.35 1.96 0.00 3.67 0.00 0.00 3.78 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 98 E 8.66 4.17 0.00 1.95 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 2.28 2.22 0.00 99 D 7.96 4.44 0.00 2.79 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 0.00 100 V 7.58 4.03 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 0.88 0.00 0.00 0.96 0.00 0.00 101 R 8.46 4.52 0.00 1.80 1.97 0.00 3.37 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 102 I 7.75 4.98 1.91 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 1.38 0.64 0.95 0.00 0.00 103 L 8.89 4.86 0.00 1.65 1.58 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.58 4.99 0.00 1.82 1.75 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.44 7.81 105 V 9.11 4.62 1.74 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 0.19 0.00 0.00 0.83 0.00 0.00 106 V 8.80 4.37 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 0.60 0.00 0.00 0.64 0.00 0.00 107 V 9.23 4.69 2.30 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 1.06 0.00 0.00 0.76 0.00 0.00 108 I 8.87 4.68 2.05 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 1.22 0.64 0.88 0.00 0.00 109 E 8.87 4.05 0.00 2.07 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 2.51 2.44 0.00 110 D 9.09 5.04 0.00 2.94 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 0.00 111 W 7.94 4.82 0.00 3.26 3.16 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 0.00 112 N 8.62 4.91 0.00 2.73 2.70 0.00 0.00 6.72 8.56 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 0.00 113 V 8.29 4.78 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 0.51 0.00 0.00 0.93 0.00 0.00 114 N 8.94 5.14 0.00 2.79 2.68 0.00 0.00 6.67 8.50 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 0.00 115 A 9.07 4.60 1.28 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 0.00 0.00 116 C 8.89 4.78 0.00 3.31 2.87 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 0.00 0.00 0.00 117 N 8.94 4.76 0.00 2.87 2.93 0.00 0.00 6.23 7.13 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 0.00 118 K 7.66 4.32 0.00 1.54 1.57 0.00 1.60 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 119 E 8.18 4.37 0.00 1.93 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 0.00 2.31 2.32 0.00 120 H 8.19 4.86 0.00 2.96 3.08 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.84 2.57 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 1.01 0.00 0.00 122 K 8.84 4.11 0.00 2.02 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.67 7.81 123 T 7.63 5.12 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 124 T 8.89 4.04 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 1.13 0.00 0.00 125 G 8.06 3.64 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 0.00 0.00 0.00 126 E 7.67 4.20 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 2.43 2.39 0.00 127 I 7.47 3.91 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.44 0.92 0.00 0.00 128 G 7.52 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 0.00 129 P 0.00 4.58 0.00 2.10 2.00 0.00 3.56 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 2.12 2.13 0.00 130 I 9.02 5.08 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.75 0.83 0.00 0.00 131 K 9.03 4.73 0.00 1.86 1.67 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.47 7.81 132 I 9.23 4.63 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 1.02 0.00 0.00 133 R 9.14 4.62 0.00 1.69 1.03 0.00 3.36 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 134 K 9.09 4.17 0.00 1.79 1.53 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.43 7.81 135 V 8.36 4.99 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 0.91 0.00 0.00 0.99 0.00 0.00 136 R 9.26 4.72 0.00 1.93 1.78 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 137 F 8.99 5.30 0.00 3.07 3.02 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 0.00 0.00 0.00 138 R 8.67 4.00 0.00 1.48 1.67 0.00 3.08 0.00 0.00 3.06 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 139 K 8.37 3.34 0.00 1.71 1.84 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.38 7.81 140 S 7.83 3.94 0.00 3.92 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 0.00 141 K 7.25 4.03 0.00 1.63 1.72 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.27 7.81 142 G 7.78 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 0.00 143 L 7.28 5.27 0.00 1.39 1.40 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.27 5.31 0.00 2.08 1.66 1.10 0.58 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 0.00 145 E 9.62 5.08 0.00 2.11 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 2.30 2.31 0.00 146 I 9.05 4.75 1.99 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 1.28 0.81 1.04 0.00 0.00 147 H 9.49 5.27 0.00 3.27 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.72 5.51 0.00 3.18 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 0.00 149 E 9.53 5.16 0.00 2.00 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 2.23 2.41 0.00 150 L 8.75 4.86 0.00 1.59 1.65 1.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.82 4.15 0.00 1.57 1.75 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.01 4.53 0.00 1.95 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 2.24 2.31 0.00 153 L 8.55 4.13 0.00 1.64 1.74 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.95 4.43 0.00 1.96 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 2.28 2.24 0.00 155 N 8.74 4.53 0.00 2.74 2.61 0.00 0.00 6.56 7.56 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