NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2869 8.3044 120.3194 55.0741 33.4756 174.5485 2 K 4.3329 8.8200 122.8244 55.0084 33.1366 173.7410 3 K 4.9681 9.3704 128.4357 55.2090 34.5403 175.8066 4 V 4.9609 8.6919 123.5045 61.3344 34.9929 174.0448 5 I 5.5071 8.4371 123.9683 59.3643 42.0465 173.5349 6 T 4.7785 7.9352 119.8835 60.9979 70.6668 171.6562 7 Y 5.0981 8.3374 123.0543 56.0486 42.0688 174.8685 8 G 3.5023 8.0970 108.9014 46.9308 0.0000 174.3376 9 T 4.1029 8.4987 116.1388 64.7476 69.4032 175.8217 10 F 3.4504 7.2127 117.1321 58.2406 36.2639 174.8240 11 D 4.6954 7.8413 118.0935 54.3073 42.7840 175.5621 12 L 3.6485 8.3109 124.9613 56.9799 39.0790 174.8395 13 L 3.8677 7.7003 117.8437 55.2569 42.5939 175.1759 14 H 5.2116 8.3932 120.4759 52.3554 32.0429 173.9197 15 W 4.5732 9.2298 116.4191 59.4315 26.9348 178.4855 16 G 3.1927 7.3571 106.6241 47.9667 0.0000 175.3453 17 H 4.4634 8.1247 118.8832 58.6249 28.6447 177.9813 18 I 3.8626 7.8008 121.1436 64.5284 36.9758 178.5576 19 K 4.0302 8.4230 119.1289 59.0306 31.8203 179.2411 20 L 4.0234 7.6220 120.3661 57.9792 42.0205 178.9106 21 L 3.9554 8.0990 119.0596 57.4623 41.5424 178.9067 22 E 2.5400 8.1471 119.5768 59.0337 29.2739 179.2517 23 R 3.8289 7.3715 116.0654 58.9714 30.3608 178.6890 24 A 4.0511 7.8309 120.5650 55.0244 18.4137 179.5448 25 K 3.8100 8.0252 118.2671 59.7021 32.0170 178.6656 26 Q 3.9656 7.7270 118.7574 58.8367 28.9596 177.6401 27 L 4.4255 7.6354 117.9200 57.2342 42.3392 176.4561 28 G 4.0606 8.1265 106.4102 45.3113 0.0000 171.7781 29 D 4.8888 8.4736 118.0314 54.8867 42.2349 176.4402 30 Y 4.9520 7.7329 119.0771 56.0722 42.7988 172.8235 31 L 5.0692 9.2212 127.8312 53.2163 45.3101 174.9226 32 V 4.7797 8.6963 126.3928 61.0496 34.1528 174.3353 33 V 4.7328 8.3894 126.6596 60.8928 34.7961 173.9434 34 A 5.6519 8.4094 129.3567 49.4985 20.6861 175.3933 35 I 5.2379 8.0944 115.6004 60.3509 39.7648 175.6554 36 S 4.9742 8.8079 121.6665 58.8501 63.3882 174.4273 37 T 4.0502 8.6273 115.1030 61.4164 69.4353 175.4412 38 D 4.4445 8.7975 122.3856 57.3611 40.9136 178.7973 39 E 4.1019 8.0505 118.8675 59.5337 29.7848 179.0253 40 F 4.2271 8.2413 120.4437 60.9561 39.2541 176.6208 41 N 4.1498 8.3345 117.1752 56.4531 38.7387 176.5452 42 L 4.0410 7.6240 121.6902 58.0678 41.9359 178.5687 43 Q 4.2487 7.5715 115.9413 57.2392 28.6810 177.2992 44 K 4.5450 7.5377 118.6556 55.1079 32.6941 175.8275 45 Q 3.5907 8.0747 116.7046 57.1243 26.6271 173.4898 46 K 4.6587 7.8973 114.0508 54.5848 36.0724 176.6986 47 K 4.3096 8.2969 120.4721 54.3532 33.1728 175.7569 48 A 4.3639 8.1389 127.7467 52.1683 18.9802 177.1339 49 Y 4.1049 9.5223 122.2865 59.8350 39.1615 175.9390 50 H 4.9539 8.1624 116.0514 53.6017 30.9573 175.3227 51 S 4.3836 8.3139 117.8554 58.0195 65.0018 174.5513 52 Y 4.1407 9.0579 123.8694 61.4493 38.4796 178.6941 53 E 3.7017 8.2422 118.4780 59.6236 29.6586 179.0911 54 H 4.2886 7.7663 114.9577 58.9484 28.8243 178.1176 55 R 3.9965 8.1876 120.0194 58.8885 29.8047 179.1096 56 K 3.7648 7.8324 119.6988 59.1526 31.9214 178.6262 57 L 3.8686 7.6267 119.5934 58.1096 42.2690 178.8234 58 I 3.7802 7.5176 119.1226 64.2664 37.0533 177.8996 59 L 3.7758 7.7432 121.0409 58.4057 41.6827 178.7845 60 E 3.8969 7.8008 116.5467 58.7986 29.4788 178.5426 61 T 4.2780 7.5560 108.4893 61.6362 69.7595 175.1127 62 I 3.6677 7.4503 124.6861 60.9661 37.4729 176.4953 63 R 3.7220 8.5831 126.3224 59.7692 29.8172 177.1445 64 Y 4.2979 7.2485 113.7222 60.2633 38.1292 176.1503 65 V 3.8543 7.5743 120.2382 62.0848 32.1244 175.2098 66 D 4.4932 8.2791 127.9668 56.6741 41.5226 176.5624 67 E 4.6976 7.3642 113.2442 55.3024 32.6966 174.5244 68 V 5.0399 8.2890 120.5344 61.1309 34.4738 174.3700 69 I 4.7775 8.4879 119.8075 58.3883 41.3824 172.6291 70 P 5.0420 0.0000 0.0000 62.2119 32.7341 175.9524 71 E 4.4968 9.2081 124.7758 54.9371 30.3505 176.1219 72 K 4.1414 9.2905 127.6296 57.2579 33.2757 176.4581 73 N 4.2200 6.9756 113.1597 50.0724 39.6300 175.0391 74 W 4.4387 8.6431 118.8716 59.7793 28.9098 178.3854 75 E 4.0495 8.3025 115.8097 58.4520 29.5103 178.2585 76 Q 4.1798 8.0609 118.4038 57.8134 28.7569 178.0455 77 K 4.0252 7.4591 122.6408 59.0016 31.8495 178.8565 78 K 4.0584 8.1636 117.9126 59.7316 31.9938 178.9933 79 Q 3.9986 8.0909 119.1210 59.1488 29.0329 177.6195 80 D 4.4800 8.2911 119.9483 57.7706 40.9878 178.9572 81 I 3.8982 7.8345 119.9818 64.3090 36.9255 178.7045 82 I 3.7723 7.4504 120.3200 64.4799 36.9343 178.0490 83 D 4.3007 8.2790 118.5423 57.4554 40.7163 177.2677 84 H 4.6113 8.6430 113.4779 54.7377 29.0411 174.5975 85 N 4.1873 7.7707 115.6275 54.1632 36.5234 174.9164 86 I 3.9893 7.7967 117.6367 61.6800 38.3313 176.2062 87 D 4.9271 9.2093 123.8456 54.6125 43.8482 176.4574 88 V 4.8844 7.6559 117.5995 60.9666 35.3287 173.6602 89 F 5.2559 9.3267 130.2809 56.4147 41.5331 174.1807 90 V 5.0279 7.6559 125.2340 60.3969 34.4145 174.4335 91 M 4.8185 8.2120 124.5066 53.5981 36.9622 174.8337 92 G 4.1377 8.9551 110.7386 45.5446 0.0000 173.8768 93 D 4.7924 9.1719 117.9375 54.2543 39.2808 177.2912 94 D 4.6104 8.1114 118.4416 54.0539 39.9287 176.5241 95 W 4.5228 8.1080 118.7655 56.1309 30.0712 174.3950 96 E 2.6648 7.4947 119.5701 57.5007 29.0842 177.8601 97 G 4.4205 6.8443 113.9674 45.9464 0.0000 175.3738 98 K 3.9003 7.9592 118.4463 58.5924 32.3806 177.2871 99 F 4.8522 8.3007 118.3144 57.1421 39.9049 176.7085 100 D 4.6484 8.1597 122.1697 56.3186 40.8464 178.4786 101 F 4.5061 8.0329 113.1642 58.4566 38.3698 176.4335 102 L 4.1362 7.0603 120.7179 55.3428 41.3575 178.4256 103 K 4.2952 7.8870 120.4148 58.3851 32.0457 177.8875 104 D 4.5936 8.0269 116.9770 54.6824 39.8621 177.1294 105 Q 4.5210 7.8105 119.1488 56.9231 30.4957 174.2699 106 C 4.6750 7.2292 112.3717 57.1057 33.3721 172.5181 107 E 4.2322 8.7174 120.0720 56.0167 30.3666 175.3010 108 V 4.8315 8.3765 126.4356 61.1561 33.7895 174.6656 109 V 4.3957 8.8043 127.7811 61.1799 34.6604 173.5029 110 Y 5.2779 8.7008 124.8511 56.4557 39.8865 174.8940 111 L 4.9235 8.6512 125.0175 52.0046 44.4347 174.4787 112 P 5.1248 0.0000 0.0000 62.3734 31.7137 176.5530 113 R 4.1484 8.8027 122.8134 56.5363 30.7185 176.0046 114 T 4.4140 8.0988 116.1448 62.5432 69.4447 175.1631 115 E 4.2242 8.6344 125.9812 56.8691 30.5086 176.9867 116 G 4.1208 10.3857 109.1726 45.3825 0.0000 173.1884 117 I 4.2906 6.9566 117.6755 58.5072 40.9424 174.3666 118 S 4.4447 7.9775 119.7660 56.3776 66.0722 175.3412 119 T 3.9190 8.5904 125.7096 66.9996 68.4352 177.0079 120 T 3.9044 7.8334 117.3953 66.2442 68.5132 176.4818 121 K 3.8904 7.6907 121.6871 59.5193 32.0581 178.5506 122 I 3.6431 7.5569 118.7765 64.5674 37.1643 177.9767 123 K 4.0084 7.5067 117.0984 59.6949 32.2757 178.6568 124 E 4.1262 8.0640 119.0177 59.1953 29.1975 178.7980 125 E 4.2790 8.2617 114.3474 56.8590 29.2373 177.0331 126 I 4.1410 8.0270 126.7328 61.5500 38.0005 175.3035 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 4.29 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 K 8.82 4.33 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 3 K 9.37 4.97 0.00 1.90 1.76 0.00 1.45 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.30 1.47 7.81 4 V 8.69 4.96 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 1.06 0.00 0.00 1.00 0.00 0.00 5 I 8.44 5.51 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.23 1.10 0.00 0.00 6 T 7.94 4.78 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 1.17 0.00 0.00 7 Y 8.34 5.10 0.00 2.70 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.10 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.50 4.10 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 1.32 0.00 0.00 10 F 7.21 3.45 0.00 3.12 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 11 D 7.84 4.70 0.00 2.68 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 12 L 8.31 3.65 0.00 1.88 1.77 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.70 3.87 0.00 1.67 1.67 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.39 5.21 0.00 3.28 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 9.23 4.57 0.00 3.64 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.36 3.19 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 0.00 17 H 8.12 4.46 0.00 3.48 3.62 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.80 3.86 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.14 1.14 0.00 0.00 19 K 8.42 4.03 0.00 1.88 1.93 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.40 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.85 7.81 20 L 7.62 4.02 0.00 1.77 2.03 1.05 0.61 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 21 L 8.10 3.96 0.00 1.93 1.71 0.83 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.15 2.54 0.00 1.51 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 1.99 1.72 0.00 23 R 7.37 3.83 0.00 1.74 1.94 0.00 3.22 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 24 A 7.83 4.05 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 25 K 8.03 3.81 0.00 1.89 1.81 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.52 7.81 26 Q 7.73 3.97 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 27 L 7.64 4.43 0.00 1.79 1.68 0.89 0.84 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 28 G 8.13 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 0.00 0.00 0.00 29 D 8.47 4.89 0.00 2.62 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 30 Y 7.73 4.95 0.00 3.00 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 31 L 9.22 5.07 0.00 1.63 1.50 0.88 0.71 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 32 V 8.70 4.78 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 0.69 0.00 0.00 1.08 0.00 0.00 33 V 8.39 4.73 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 0.76 0.00 0.00 0.71 0.00 0.00 34 A 8.41 5.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.09 5.24 2.01 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 1.26 1.21 0.00 0.00 36 S 8.81 4.97 0.00 3.91 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 37 T 8.63 4.05 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 0.72 0.00 0.00 38 D 8.80 4.44 0.00 2.69 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 39 E 8.05 4.10 0.00 2.05 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 2.38 2.42 0.00 40 F 8.24 4.23 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.33 4.15 0.00 3.04 2.89 0.00 0.00 6.69 6.28 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 42 L 7.62 4.04 0.00 1.73 1.70 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.57 4.25 0.00 1.81 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 44 K 7.54 4.54 0.00 1.75 1.89 0.00 1.97 0.00 0.00 1.31 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 0.83 7.81 45 Q 8.07 3.59 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 46 K 7.90 4.66 0.00 1.69 1.68 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.62 7.81 47 K 8.30 4.31 0.00 1.66 1.70 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.38 7.81 48 A 8.14 4.36 1.49 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 0.00 0.00 49 Y 9.52 4.10 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.16 4.95 0.00 3.34 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.31 4.38 0.00 4.04 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 52 Y 9.06 4.14 0.00 3.16 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 53 E 8.24 3.70 0.00 1.93 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 2.58 2.40 0.00 54 H 7.77 4.29 0.00 3.34 3.21 0.00 5.64 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 55 R 8.19 4.00 0.00 1.95 2.00 0.00 3.41 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 56 K 7.83 3.76 0.00 1.30 1.59 0.00 1.31 0.00 0.00 1.30 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.25 7.81 57 L 7.63 3.87 0.00 1.81 1.76 0.88 0.88 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 58 I 7.52 3.78 2.00 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 1.38 0.53 0.91 0.00 0.00 59 L 7.74 3.78 0.00 1.78 1.50 0.53 0.45 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 60 E 7.80 3.90 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 2.25 2.38 0.00 61 T 7.56 4.28 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 1.21 0.00 0.00 62 I 7.45 3.67 1.84 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 1.23 0.86 0.86 0.00 0.00 63 R 8.58 3.72 0.00 1.42 1.45 0.00 3.06 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 64 Y 7.25 4.30 0.00 2.97 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 65 V 7.57 3.85 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 0.60 0.00 0.00 0.78 0.00 0.00 66 D 8.28 4.49 0.00 1.58 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 0.00 0.00 0.00 0.00 67 E 7.36 4.70 0.00 1.98 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 2.30 2.27 0.00 68 V 8.29 5.04 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 0.82 0.00 0.00 0.78 0.00 0.00 69 I 8.49 4.78 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.87 0.00 0.00 70 P 0.00 5.04 0.00 1.90 1.97 0.00 3.64 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 2.02 2.19 0.00 71 E 9.21 4.50 0.00 2.22 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 1.51 2.16 0.00 72 K 9.29 4.14 0.00 1.59 1.73 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.24 7.81 73 N 6.98 4.22 0.00 2.91 2.69 0.00 0.00 6.06 8.88 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 74 W 8.64 4.44 0.00 3.50 3.35 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 0.00 0.00 0.00 75 E 8.30 4.05 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 2.59 2.34 0.00 76 Q 8.06 4.18 0.00 2.28 2.49 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 2.46 2.59 0.00 77 K 7.46 4.03 0.00 1.92 1.76 0.00 1.45 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 1.06 7.81 78 K 8.16 4.06 0.00 1.86 1.92 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.93 1.70 7.81 79 Q 8.09 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.78 0.00 80 D 8.29 4.48 0.00 3.11 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.83 3.90 2.05 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 1.61 1.17 0.94 0.00 0.00 82 I 7.45 3.77 2.02 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 1.53 1.52 0.91 0.00 0.00 83 D 8.28 4.30 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.64 4.61 0.00 3.24 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.77 4.19 0.00 2.77 2.84 0.00 0.00 6.93 8.76 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 86 I 7.80 3.99 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 1.04 0.00 0.00 87 D 9.21 4.93 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 88 V 7.66 4.88 2.09 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 0.97 0.00 0.00 0.94 0.00 0.00 89 F 9.33 5.26 0.00 3.10 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 90 V 7.66 5.03 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 1.20 0.00 0.00 0.83 0.00 0.00 91 M 8.21 4.82 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 1.79 0.00 92 G 8.96 4.14 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 0.00 93 D 9.17 4.79 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.11 4.61 0.00 2.61 2.76 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 95 W 8.11 4.52 0.00 3.94 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 96 E 7.49 2.66 0.00 1.87 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 2.20 2.03 0.00 97 G 6.84 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 98 K 7.96 3.90 0.00 1.73 1.47 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.59 7.81 99 F 8.30 4.85 0.00 3.17 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 0.00 0.00 0.00 0.00 100 D 8.16 4.65 0.00 2.77 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 0.00 101 F 8.03 4.51 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.06 4.14 0.00 1.21 1.35 -0.35 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.89 4.30 0.00 1.85 1.90 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.49 1.49 7.81 104 D 8.03 4.59 0.00 2.85 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 0.00 105 Q 7.81 4.52 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 106 C 7.23 4.67 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.72 4.23 0.00 2.13 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 2.31 2.27 0.00 108 V 8.38 4.83 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 0.64 0.00 0.00 0.83 0.00 0.00 109 V 8.80 4.40 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 0.93 0.00 0.00 0.91 0.00 0.00 110 Y 8.70 5.28 0.00 3.04 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 0.00 111 L 8.65 4.92 0.00 1.66 1.60 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 5.12 0.00 2.11 2.10 0.00 3.43 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 113 R 8.80 4.15 0.00 1.86 1.93 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 114 T 8.10 4.41 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 1.28 0.00 0.00 115 E 8.63 4.22 0.00 2.00 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 2.32 2.27 0.00 116 G 10.39 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 6.96 4.29 0.56 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.36 0.12 0.00 0.00 118 S 7.98 4.44 0.00 3.80 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 0.00 119 T 8.59 3.92 4.29 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 1.34 0.00 0.00 120 T 7.83 3.90 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 1.21 0.00 0.00 121 K 7.69 3.89 0.00 1.79 2.00 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.52 7.81 122 I 7.56 3.64 2.02 0.00 0.00 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 1.52 0.93 0.88 0.00 0.00 123 K 7.51 4.01 0.00 1.86 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.63 7.81 124 E 8.06 4.13 0.00 2.20 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 2.30 2.35 0.00 125 E 8.26 4.28 0.00 2.16 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 2.56 2.50 0.00 126 I 8.03 4.14 1.90 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 1.43 0.77 0.87 0.00 0.00