NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4179 8.1933 115.2884 57.9050 63.6064 173.5737 2 M 3.7903 8.7495 119.7768 58.2528 31.8586 176.4706 3 Q 4.0460 8.4686 117.3311 58.5850 30.1221 176.7411 4 D 4.7271 8.1620 118.6182 50.9892 42.2200 173.9359 5 P 4.3587 0.0000 0.0000 65.6191 31.5718 178.4083 6 I 3.6531 7.7226 119.4649 64.0875 36.9301 178.1563 7 A 4.0760 8.1220 120.8861 54.4072 18.1987 179.0484 8 D 4.1891 7.5375 116.0452 57.7179 41.4002 177.7304 9 M 3.9803 8.1095 118.7497 58.8407 32.0697 177.8676 10 L 3.9220 7.7649 118.6771 58.4484 41.8889 179.6689 11 T 3.8159 8.3074 113.0544 65.0375 67.0939 176.2752 12 R 3.9865 8.7260 121.5794 59.1490 29.9579 178.6539 13 I 3.7430 7.8735 119.7309 64.5707 37.1058 177.7095 14 R 3.8329 8.1599 119.4137 60.3344 29.8977 178.0442 15 N 4.5057 9.1140 115.9948 55.3726 38.4483 177.8800 16 G 3.5451 7.7085 107.9630 47.8297 0.0000 175.5077 17 Q 3.9840 8.3770 121.5611 58.6300 28.5809 179.0945 18 A 4.0106 7.9929 120.1475 55.3951 18.4375 179.4403 19 A 4.4048 7.8163 116.1813 52.2800 19.3583 176.7902 20 N 5.0796 8.4059 115.0985 54.3111 37.1021 174.5235 21 K 4.1096 8.4258 119.0560 56.4424 32.3916 176.2689 22 A 4.7384 8.5994 126.1140 52.0839 20.1896 175.9396 23 A 4.8122 7.8118 116.6271 49.9940 22.5994 176.1321 24 V 4.4078 8.6685 120.9376 61.6378 34.6698 174.6541 25 T 5.3775 8.9242 117.7599 58.9212 71.7259 173.5301 26 M 4.4601 7.7228 120.5354 54.2411 34.5224 172.9265 27 P 4.6976 0.0000 0.0000 63.7743 31.8124 176.0994 28 S 4.5846 8.9908 120.0169 58.0128 63.7498 173.1576 29 S 4.6747 8.2886 116.2939 55.4314 65.6841 174.6958 30 K 3.8515 8.9755 125.9234 59.6810 31.7758 179.0951 31 L 3.8736 7.7406 119.6244 58.4161 42.0019 178.5826 32 K 3.7519 8.1937 117.4449 59.8174 31.8841 178.5630 33 V 3.4883 8.0120 117.5373 66.3047 31.2238 177.7481 34 A 3.9241 7.5861 118.7040 55.7401 18.4387 179.1825 35 I 3.6710 7.8474 117.5794 64.4241 37.1109 178.2046 36 A 3.9846 8.2594 121.2215 55.5131 18.1520 178.9128 37 N 4.1215 8.2959 115.3809 56.9993 38.5029 177.0954 38 V 3.5783 7.8957 119.1759 66.0733 31.6689 177.5644 39 L 4.1804 8.1183 118.2472 58.5057 41.4200 178.9589 40 K 4.2562 8.5603 119.6957 59.4512 31.8540 177.9081 41 E 4.5247 8.4668 117.6813 56.5501 29.8415 176.9123 42 E 4.5248 7.8663 112.8426 55.0601 30.2064 176.8500 43 G 3.8309 8.8918 109.4372 45.2073 0.0000 175.7644 44 F 4.3247 7.8035 117.7951 59.5532 39.1487 175.0472 45 I 4.7458 7.0673 112.2788 59.0809 40.3019 175.3792 46 E 4.2156 9.1711 124.9953 58.6425 29.9744 176.3072 47 D 4.6058 7.5548 116.5054 52.9443 42.0477 176.8879 48 F 4.7258 9.0501 114.0704 58.2071 39.3430 173.7619 49 K 4.6264 8.0761 128.7881 56.9047 34.3167 173.9047 50 V 4.5380 8.2001 124.5359 60.2503 31.7175 176.0773 51 E 4.5340 8.5041 131.9915 55.5651 28.5599 174.3956 52 G 4.2614 7.4437 106.6555 44.1570 0.0000 169.1178 53 D 4.6703 7.8958 115.7987 53.8737 43.8250 176.4418 54 T 4.3746 7.8052 117.7876 62.3345 69.5441 175.1844 55 K 4.6436 7.5580 118.7226 53.5657 32.4640 173.8226 56 P 4.1622 0.0000 0.0000 63.1591 33.2807 176.1450 57 E 4.8381 8.7845 124.7809 54.0845 31.9388 174.3699 58 L 4.6580 8.7749 130.6536 54.9182 43.4819 175.1440 59 E 5.1454 9.7277 127.6802 54.3852 32.6250 174.5927 60 L 4.9999 9.3335 126.4859 53.3047 45.2426 175.5177 61 T 4.5637 8.5063 120.5128 62.0750 69.7545 174.7818 62 L 4.7009 8.2404 126.0031 54.4963 43.0242 176.6697 63 K 4.9760 8.5712 118.6936 55.0923 36.0729 175.2641 64 Y 5.0470 8.7023 119.5214 56.2782 43.4259 173.6815 65 F 5.2126 9.3910 124.3653 58.8935 40.2651 177.9550 66 Q 4.5579 8.8903 127.7329 55.7071 28.0161 177.8468 67 G 4.1531 8.6496 113.2340 46.3725 0.0000 172.4075 68 K 4.5386 8.1841 117.9096 54.4646 36.4909 175.6214 69 A 3.9334 8.1295 123.5975 51.7902 19.0519 177.7651 70 V 3.8712 7.6219 118.4953 65.0726 31.8727 176.9652 71 V 4.1385 7.3914 119.8316 60.9015 29.8494 174.3338 72 E 4.1240 8.6430 125.5815 58.3641 29.9956 177.1689 73 S 4.6357 7.5705 110.5798 57.5109 66.6418 173.2320 74 I 4.5181 8.1399 121.5063 60.3763 39.1087 173.6094 75 Q 4.6683 8.6309 127.2052 54.0806 31.6557 174.3253 76 R 4.6335 8.3164 121.5455 55.1588 31.7397 173.4073 77 V 3.9264 7.8535 125.4753 62.6436 31.6026 178.8280 78 S 4.1757 6.1341 108.8459 58.9782 62.7812 172.4118 79 R 4.8256 8.6015 122.2799 53.5315 32.9148 174.4403 80 P 4.2724 0.0000 0.0000 65.3250 31.4581 178.0192 81 G 3.6611 7.9831 107.2120 47.9374 0.0000 173.6212 82 L 4.3287 7.5561 119.1255 54.2636 43.6800 173.5735 83 R 4.0965 8.0873 122.6229 55.6115 31.1485 176.5407 84 I 4.3118 8.1753 121.7140 59.8387 40.6333 173.8279 85 Y 5.2292 8.4986 124.6524 56.0477 40.3562 175.5257 86 K 4.6120 8.8956 122.6850 54.9655 35.8577 177.2305 87 R 4.1610 8.5846 120.2546 56.4500 31.0474 178.3893 88 K 4.3850 7.6127 124.4372 58.1753 33.4882 176.7153 89 D 4.3755 8.2379 118.7606 56.5192 40.8645 177.2476 90 E 4.0983 8.1343 117.8951 57.4795 30.0363 176.5009 91 L 3.9713 7.3431 118.7259 54.9030 41.9648 174.8564 92 P 4.5307 0.0000 0.0000 61.7685 32.1914 175.3748 93 K 4.6951 8.3821 121.9206 54.1187 34.4399 176.1656 94 V 3.6706 8.1231 122.2967 63.1481 33.2127 175.3273 95 M 3.1791 9.2434 121.7370 57.4732 29.2602 177.2748 96 A 3.7894 8.5908 117.4163 51.8869 17.1943 177.1030 97 G 3.6967 8.1034 114.2631 46.6701 0.0000 174.7239 98 L 4.0779 7.3295 122.1615 55.2268 41.8246 178.0366 99 G 4.3254 9.1592 108.6549 45.7352 0.0000 171.4267 100 I 4.7730 8.1382 112.1248 58.7391 41.4452 174.0335 101 A 5.0275 8.5149 121.9637 49.8445 21.6821 175.3902 102 V 3.8171 8.3538 122.1588 64.5901 32.3247 175.7220 103 V 4.9916 8.9374 120.9462 59.5772 35.6917 174.4398 104 S 4.9696 9.2866 116.3473 56.8843 65.1653 172.8736 105 T 5.0806 9.2766 116.6241 59.3767 72.0028 175.0542 106 S 4.0185 8.9113 115.8186 60.6356 63.5070 175.2538 107 K 4.3061 7.4880 121.3195 54.6562 31.0345 175.0373 108 G 3.8362 7.9205 107.1568 45.0641 0.0000 171.4782 109 V 4.4608 7.8026 118.0892 61.1173 30.9424 174.2142 110 M 4.6608 8.0030 126.4584 53.2319 34.9300 175.5461 111 T 4.6289 8.0097 110.6731 60.9272 71.3700 175.2113 112 D 4.2951 8.2343 119.4655 56.7257 39.1566 178.1971 113 R 3.9204 8.1179 118.9860 59.7242 30.1801 177.2319 114 A 4.0294 8.3169 120.5297 53.7964 18.3472 179.0374 115 A 3.8880 8.4555 117.2212 55.1554 18.6607 179.6479 116 R 3.8025 8.4299 117.2255 59.9138 29.9366 178.4380 117 Q 4.0229 8.0085 116.4992 58.9031 28.8247 178.2753 118 A 4.5609 7.9253 118.9648 51.6876 19.6003 176.8914 119 G 4.0702 8.0872 107.3302 47.7266 0.0000 173.6329 120 L 4.8533 7.7632 117.1321 53.4218 43.6170 174.6259 121 G 4.6359 7.4627 105.0021 44.0705 0.0000 171.8255 122 G 4.7805 7.7404 102.9708 47.1338 0.0000 172.1507 123 E 4.9506 8.6577 123.3319 55.8958 31.1297 177.0519 124 I 4.5453 8.0649 120.5913 59.4219 37.5565 175.8564 125 I 3.7446 8.3249 130.9122 64.2774 38.0678 175.6596 126 C 4.4794 7.2855 113.7744 58.1724 31.5777 172.3222 127 Y 5.1234 7.7838 117.1658 56.8897 40.5910 175.1820 128 V 4.5434 8.6832 119.9095 61.6132 36.0199 174.4927 129 A 4.3935 8.4291 127.0621 52.3364 19.4414 175.9141 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 S 8.19 4.42 0.00 3.87 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 2 M 8.75 3.79 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 3 Q 8.47 4.05 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 4 D 8.16 4.73 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.36 0.00 2.29 2.29 0.00 3.74 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 6 I 7.72 3.65 1.93 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 1.43 0.94 0.87 0.00 0.00 7 A 8.12 4.08 1.32 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 8 D 7.54 4.19 0.00 2.89 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 9 M 8.11 3.98 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 10 L 7.76 3.92 0.00 1.91 1.67 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.31 3.82 4.36 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 1.26 0.00 0.00 12 R 8.73 3.99 0.00 2.16 1.91 0.00 3.36 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 13 I 7.87 3.74 2.08 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 0.67 0.90 0.00 0.00 14 R 8.16 3.83 0.00 1.84 2.03 0.00 3.09 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 15 N 9.11 4.51 0.00 2.81 2.86 0.00 0.00 7.06 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 16 G 7.71 3.55 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 0.00 0.00 0.00 17 Q 8.38 3.98 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 18 A 7.99 4.01 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 0.00 0.00 0.00 0.00 0.00 19 A 7.82 4.40 1.39 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 0.00 0.00 20 N 8.41 5.08 0.00 2.83 2.85 0.00 0.00 6.92 7.43 0.00 0.00 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 8.43 4.11 0.00 1.88 1.78 0.00 1.82 0.00 0.00 2.00 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 22 A 8.60 4.74 1.20 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 0.00 0.00 23 A 7.81 4.81 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.67 4.41 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 1.01 0.00 0.00 0.97 0.00 0.00 25 T 8.92 5.38 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 26 M 7.72 4.46 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 27 P 0.00 4.70 0.00 1.96 2.08 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 28 S 8.99 4.58 0.00 3.98 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 29 S 8.29 4.67 0.00 3.83 3.61 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 30 K 8.98 3.85 0.00 1.79 1.85 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.45 7.81 31 L 7.74 3.87 0.00 1.76 1.65 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.19 3.75 0.00 2.13 1.86 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.54 7.81 33 V 8.01 3.49 2.23 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 0.92 0.00 0.00 0.92 0.00 0.00 34 A 7.59 3.92 1.33 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 0.00 0.00 0.00 35 I 7.85 3.67 2.03 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 1.43 0.72 0.89 0.00 0.00 36 A 8.26 3.98 1.39 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 0.00 0.00 37 N 8.30 4.12 0.00 2.71 3.03 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 38 V 7.90 3.58 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 1.03 0.00 0.00 0.97 0.00 0.00 39 L 8.12 4.18 0.00 2.01 1.85 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.56 4.26 0.00 1.95 2.03 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.70 7.81 41 E 8.47 4.52 0.00 2.01 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 2.33 2.40 0.00 42 E 7.87 4.52 0.00 2.25 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 2.40 2.48 0.00 43 G 8.89 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 44 F 7.80 4.32 0.00 3.21 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 45 I 7.07 4.75 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.98 0.00 0.00 46 E 9.17 4.22 0.00 2.04 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 2.31 2.26 0.00 47 D 7.55 4.61 0.00 2.58 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 9.05 4.73 0.00 3.22 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 49 K 8.08 4.63 0.00 2.01 2.07 0.00 1.65 0.00 0.00 2.12 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.08 0.80 7.81 50 V 8.20 4.54 2.20 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 0.87 0.00 0.00 0.98 0.00 0.00 51 E 8.50 4.53 0.00 1.97 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 2.25 2.27 0.00 52 G 7.44 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 0.00 0.00 0.00 0.00 53 D 7.90 4.67 0.00 2.63 2.52 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 54 T 7.81 4.37 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 1.21 0.00 0.00 55 K 7.56 4.64 0.00 1.74 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 P 0.00 4.16 0.00 2.08 2.04 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 57 E 8.78 4.84 0.00 2.06 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 2.27 2.33 0.00 58 L 8.77 4.66 0.00 1.78 1.64 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.73 5.15 0.00 1.90 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 2.36 2.39 0.00 60 L 9.33 5.00 0.00 1.60 1.57 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.51 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 62 L 8.24 4.70 0.00 1.82 1.96 0.96 0.89 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 63 K 8.57 4.98 0.00 1.68 1.69 0.00 1.74 0.00 0.00 1.97 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.46 7.81 64 Y 8.70 5.05 0.00 2.99 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 65 F 9.39 5.21 0.00 2.86 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 66 Q 8.89 4.56 0.00 2.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 67 G 8.65 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.18 4.54 0.00 1.83 1.69 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.41 7.81 69 A 8.13 3.93 0.98 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 70 V 7.62 3.87 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 0.73 0.00 0.00 0.89 0.00 0.00 71 V 7.39 4.14 2.04 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 0.72 0.00 0.00 0.98 0.00 0.00 72 E 8.64 4.12 0.00 2.08 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 0.00 2.36 2.35 0.00 73 S 7.57 4.64 0.00 3.88 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 74 I 8.14 4.52 1.77 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 1.28 0.57 0.87 0.00 0.00 75 Q 8.63 4.67 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 76 R 8.32 4.63 0.00 1.75 1.74 0.00 3.32 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 1.44 1.49 0.00 77 V 7.85 3.93 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 0.54 0.00 0.00 -0.11 0.00 0.00 78 S 6.13 4.18 0.00 3.84 3.61 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 79 R 8.60 4.83 0.00 1.83 1.91 0.00 2.79 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 80 P 0.00 4.27 0.00 2.18 2.21 0.00 3.72 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 1.96 1.94 0.00 81 G 7.98 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 82 L 7.56 4.33 0.00 1.61 1.45 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.09 4.10 0.00 1.74 1.27 0.00 3.33 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 84 I 8.18 4.31 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.22 0.82 0.00 0.00 85 Y 8.50 5.23 0.00 2.81 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 86 K 8.90 4.61 0.00 1.77 1.70 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.45 7.81 87 R 8.58 4.16 0.00 1.96 1.95 0.00 3.22 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 1.65 1.80 0.00 88 K 7.61 4.38 0.00 1.93 2.03 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.25 7.81 89 D 8.24 4.38 0.00 2.68 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 90 E 8.13 4.10 0.00 1.95 2.04 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 2.31 2.35 0.00 91 L 7.34 3.97 0.00 1.92 1.66 1.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.53 0.00 2.31 2.18 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 93 K 8.38 4.70 0.00 1.86 1.84 0.00 1.16 0.00 0.00 2.29 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.33 7.81 94 V 8.12 3.67 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 0.98 0.00 0.00 0.64 0.00 0.00 95 M 9.24 3.18 0.00 2.19 2.51 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 96 A 8.59 3.79 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 97 G 8.10 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.33 4.08 0.00 1.71 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 99 G 9.16 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 0.00 0.00 0.00 0.00 100 I 8.14 4.77 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 1.02 0.00 0.00 101 A 8.51 5.03 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 0.00 102 V 8.35 3.82 2.04 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 0.91 0.00 0.00 0.91 0.00 0.00 103 V 8.94 4.99 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 0.81 0.00 0.00 0.98 0.00 0.00 104 S 9.29 4.97 0.00 3.80 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 0.00 105 T 9.28 5.08 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 1.27 0.00 0.00 106 S 8.91 4.02 0.00 3.99 4.04 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 0.00 107 K 7.49 4.31 0.00 1.63 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.35 7.81 108 G 7.92 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 0.00 109 V 7.80 4.46 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 0.94 0.00 0.00 0.92 0.00 0.00 110 M 8.00 4.66 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 111 T 8.01 4.63 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 1.27 0.00 0.00 112 D 8.23 4.30 0.00 2.97 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 0.00 113 R 8.12 3.92 0.00 1.84 2.06 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 114 A 8.32 4.03 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 0.00 115 A 8.46 3.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 3.80 0.00 2.12 2.10 0.00 3.18 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 117 Q 8.01 4.02 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.33 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 118 A 7.93 4.56 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 0.00 119 G 8.09 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 0.00 0.00 0.00 120 L 7.76 4.85 0.00 1.73 1.62 0.98 0.45 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 0.00 121 G 7.46 4.64 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 0.00 122 G 7.74 4.78 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 0.00 123 E 8.66 4.95 0.00 2.40 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 124 I 8.06 4.55 1.75 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 1.29 0.51 0.92 0.00 0.00 125 I 8.32 3.74 1.93 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 1.25 0.56 0.84 0.00 0.00 126 C 7.29 4.48 0.00 3.13 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 0.00 127 Y 7.78 5.12 0.00 2.91 2.72 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 0.00 0.00 0.00 128 V 8.68 4.54 1.55 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 0.09 0.00 0.00 0.76 0.00 0.00 129 A 8.43 4.39 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