NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2872 8.2649 123.5845 51.8355 21.1834 177.5762 2 R 4.1951 7.7166 117.0722 52.9409 28.6954 174.2272 3 K 4.3488 7.7534 117.3850 56.0234 35.2573 178.3241 4 C 4.7769 9.0173 127.0061 55.8999 44.1392 172.4767 5 S 4.8661 9.0865 121.4608 56.5229 63.7432 174.2372 6 L 3.9736 8.5689 126.3304 57.1170 42.1906 177.6695 7 T 4.1231 7.3553 116.0900 62.8820 69.3812 173.8582 8 G 3.4699 7.5324 113.7039 44.3807 0.0000 171.3332 9 K 4.9333 7.9695 120.2295 54.3731 35.0157 175.5834 10 W 5.4748 9.3817 124.3210 55.1842 33.4201 174.1984 11 T 5.3635 9.4689 116.8262 60.6107 71.4934 171.7797 12 N 5.9646 8.7828 120.7047 49.8579 40.4784 174.6585 13 D 4.4141 8.7665 116.8847 55.9121 39.6198 176.8222 14 L 4.3451 8.2266 118.0230 54.4463 42.0481 177.3065 15 G 3.9711 8.0639 107.0683 45.1256 0.0000 174.0551 16 S 4.5506 7.9667 115.6286 58.4076 64.3244 172.9006 17 N 5.7102 9.4943 120.5879 51.8636 42.4378 173.4072 18 M 5.1141 9.1480 117.7605 54.1772 35.2870 173.7346 19 T 5.1351 8.7970 117.7559 61.9193 71.8487 173.2077 20 I 4.7111 8.6469 125.8167 59.6282 40.7574 175.4576 21 G 4.2745 8.4029 115.0434 45.5151 0.0000 173.0047 22 A 4.2607 8.8824 124.9233 51.4435 19.1401 177.4095 23 V 4.4438 8.1389 122.4805 60.0299 33.0893 176.5512 24 N 4.7015 8.5916 123.3408 52.1882 38.4119 175.4285 25 S 4.2072 8.5173 111.5964 61.5023 63.3372 175.0374 26 R 4.1321 8.1243 117.5395 56.1642 30.0332 177.0645 27 G 4.0786 8.0831 105.9230 46.3639 0.0000 173.2620 28 E 4.7923 8.4489 119.8710 55.9562 31.0570 175.7239 29 F 5.2794 8.2007 116.4921 56.1181 41.8551 173.1643 30 T 4.9825 8.3643 116.0359 62.5378 72.7619 173.4921 31 G 4.3024 8.0269 108.0396 46.6264 0.0000 172.1941 32 T 5.3240 8.8828 115.4234 61.8957 73.2816 172.8915 33 Y 4.9304 9.2536 125.0898 56.3369 41.8717 174.2374 34 T 5.4130 9.0243 122.9873 62.3874 73.0070 172.9880 35 T 3.3489 8.5339 120.6184 65.7068 65.1728 169.7254 36 A 3.9190 8.2380 128.2736 52.5234 14.7436 177.1271 37 V 3.7539 6.9514 119.9005 62.7397 33.1048 178.5207 38 T 4.1404 7.0264 119.8692 61.3580 69.8068 176.2516 39 A 3.2088 9.4024 120.0677 52.1102 18.9455 177.4848 40 T 3.2772 8.2232 113.3501 61.7264 69.8902 176.0378 41 S 4.3116 7.0556 113.4634 57.8850 61.4290 167.5774 42 N 4.4820 8.3582 117.4824 51.7264 34.9660 173.8630 43 E 4.8782 5.9935 113.0854 55.3772 35.7282 175.1960 44 I 4.5219 8.3363 115.9913 60.3623 38.8581 175.4151 45 K 4.7291 9.3175 125.8906 54.9635 34.8963 174.8782 46 E 5.1866 8.7737 121.8979 54.8247 32.5555 174.9247 47 S 5.0127 9.2255 121.8168 56.0408 67.5803 171.7699 48 P 5.0377 0.0000 0.0000 62.5810 32.9371 174.9148 49 L 5.5566 8.3847 120.8534 53.4845 44.2732 175.0060 50 H 5.1353 8.5769 116.3740 54.7845 33.5451 172.9151 51 G 3.8498 7.8373 108.7996 45.7953 0.0000 171.4866 52 T 5.1635 8.4251 108.6981 59.8767 72.5723 172.7568 53 E 5.3424 9.5786 121.8077 54.6316 32.6154 174.6393 54 N 4.5214 9.1716 122.0301 53.7710 39.6111 174.8864 55 T 4.4013 8.4165 114.3883 61.3248 69.6081 174.1831 56 I 3.8823 8.1179 124.8308 62.8763 37.0925 175.4566 57 N 4.0907 8.4770 122.2345 55.7371 36.0268 175.6883 58 K 4.1104 7.8177 114.4484 57.6451 29.4959 175.4011 59 R 4.1507 7.4929 121.0082 56.2889 31.2902 178.1003 60 T 4.0758 8.5391 110.8997 64.1018 69.4070 173.5209 61 Q 5.0622 7.8454 120.1044 52.2894 28.3250 173.5261 62 P 4.6881 0.0000 0.0000 62.4061 33.7899 176.7565 63 T 4.8029 8.3583 111.0002 61.5139 71.1311 173.1295 64 F 5.4661 8.3264 116.8954 56.0831 42.1297 173.0354 65 G 4.7492 9.4986 105.6132 45.0861 0.0000 171.5403 66 F 5.5396 9.0050 114.7980 56.0385 42.0513 172.8460 67 T 4.9583 9.1601 117.5799 61.9173 71.3432 173.3149 68 V 4.1896 8.9288 126.8873 61.4132 33.1504 174.4175 69 N 5.0086 8.0397 128.0228 51.3430 37.7291 173.5106 70 W 4.2763 7.6548 122.6739 56.7900 29.2271 176.3706 71 K 4.1987 8.8909 123.6467 57.9087 32.0798 177.7586 72 F 4.8147 7.3475 111.5259 56.4109 38.2466 174.6884 73 S 4.5656 7.0295 114.5867 57.7805 65.5176 173.4218 74 E 4.3362 8.5819 117.6174 56.8670 29.4859 176.9832 75 S 4.9109 7.8878 116.3955 58.0793 65.1899 173.2540 76 T 4.9834 8.6022 117.3156 62.1867 72.4501 173.1876 77 T 5.1456 8.4905 121.1059 61.8755 72.0320 173.3159 78 V 4.8406 8.7079 119.1027 59.5987 34.6917 174.6676 79 F 5.2073 8.7869 123.2224 55.9705 41.8281 174.5046 80 T 4.7262 9.2598 116.8149 60.4637 71.0855 173.6154 81 G 4.3261 6.8350 112.5771 46.0571 0.0000 171.5191 82 Q 4.6592 7.6824 120.5997 54.4733 33.2095 175.9315 83 C 4.7821 8.7946 125.9981 55.8539 43.9159 172.7927 84 F 5.2038 9.1607 126.3140 56.3496 41.7987 175.5041 85 I 4.7498 9.8896 114.4818 61.4253 39.8712 171.6109 86 D 4.8051 9.1053 131.8041 54.2208 42.5138 174.8265 87 R 4.4808 8.3224 126.9990 54.3353 30.2571 174.3989 88 N 4.7860 8.1644 119.3628 51.8427 45.7800 176.4221 89 G 4.0455 9.1308 108.8148 43.9405 0.0000 176.4440 90 K 4.0058 8.8256 129.8263 56.6974 32.2516 175.4699 91 E 4.8517 8.8850 127.8269 56.2990 30.7266 176.8216 92 V 4.9677 8.9415 122.1660 60.3678 35.4281 173.6747 93 L 5.1734 9.1288 124.3708 53.2507 43.8566 175.4153 94 K 5.0438 9.1185 124.4608 55.1000 34.1701 175.6359 95 T 5.2374 9.3436 115.5389 60.1265 72.6254 172.8135 96 M 5.2613 9.4492 121.7110 53.2706 36.1570 174.7707 97 W 5.3968 8.3596 118.1092 54.7385 32.3620 173.8520 98 L 5.3138 8.8908 120.5907 52.9628 44.6818 175.2174 99 L 4.9761 9.4774 126.5658 53.4751 44.3240 174.8111 100 R 4.9044 9.2540 128.4484 55.3634 31.3949 175.6796 101 S 4.8792 8.8987 123.2084 57.4173 64.6530 173.8604 102 S 4.3665 8.5121 117.4812 58.2118 62.6803 173.7983 103 V 4.5199 8.2745 119.4463 59.6102 34.6522 175.3528 104 N 4.5298 8.6791 118.7563 54.9054 39.1841 175.4334 105 D 4.9420 7.6896 116.9492 51.8402 43.6433 176.3465 106 I 3.7700 8.5910 125.7092 63.9882 37.5591 177.9547 107 G 3.7822 8.6424 105.5657 47.2035 0.0000 174.4699 108 D 4.7214 8.1892 119.6661 54.3884 41.2290 177.4745 109 D 4.3315 7.8663 120.3039 57.1946 40.9116 178.3189 110 W 4.3105 8.3871 115.0540 58.5442 28.1823 176.5515 111 K 3.7946 6.6654 116.1251 56.2149 31.9945 176.5116 112 A 4.3014 7.6795 121.4548 52.7057 19.2788 176.9770 113 T 5.0969 7.5503 112.7082 61.8732 71.0761 173.7906 114 R 4.8184 9.1541 126.4785 54.6642 32.7190 175.9615 115 V 4.3697 7.7348 120.2748 60.3973 34.5374 175.6283 116 G 3.2491 5.5829 106.7914 45.6445 0.0000 171.8875 117 I 5.2355 8.1994 112.7633 59.4202 41.3302 174.7113 118 N 5.3036 9.1188 118.9702 52.1815 43.5552 173.5569 119 I 5.0069 8.8127 124.3389 59.7976 39.6946 174.5983 120 F 5.6141 9.4237 125.6659 55.9532 42.0017 174.6403 121 T 5.4091 9.0545 112.2784 59.5512 72.4572 173.4210 122 R 3.9231 8.5024 121.4827 55.8930 30.8240 176.6071 123 L 4.1598 8.1260 124.3879 55.3764 41.6919 176.5080 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 A 8.26 4.29 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 2 R 7.72 4.20 0.00 1.92 1.94 0.00 3.23 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 3 K 7.75 4.35 0.00 1.77 1.84 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 4 C 9.02 4.78 0.00 3.04 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 5 S 9.09 4.87 0.00 3.88 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.57 3.97 0.00 1.15 0.90 -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.36 4.12 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 1.16 0.00 0.00 8 G 7.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 4.93 0.00 1.50 1.59 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.30 7.81 10 W 9.38 5.47 0.00 3.07 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 11 T 9.47 5.36 4.34 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 1.34 0.00 0.00 12 N 8.78 5.96 0.00 2.41 1.84 0.00 0.00 6.66 7.97 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 13 D 8.77 4.41 0.00 2.82 2.85 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 0.00 0.00 0.00 0.00 14 L 8.23 4.35 0.00 1.71 1.77 1.01 0.85 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 15 G 8.06 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 16 S 7.97 4.55 0.00 3.92 4.02 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 17 N 9.49 5.71 0.00 2.53 2.73 0.00 0.00 6.59 5.57 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 18 M 9.15 5.11 0.00 1.45 1.93 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 19 T 8.80 5.14 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 1.20 0.00 0.00 20 I 8.65 4.71 1.85 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.54 0.42 0.00 0.00 21 G 8.40 4.27 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 0.00 22 A 8.88 4.26 1.25 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 0.00 0.00 0.00 23 V 8.14 4.44 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 0.72 0.00 0.00 1.00 0.00 0.00 24 N 8.59 4.70 0.00 3.00 3.06 0.00 0.00 6.32 6.71 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 25 S 8.52 4.21 0.00 4.01 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 26 R 8.12 4.13 0.00 1.97 2.00 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 27 G 8.08 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 0.00 0.00 0.00 28 E 8.45 4.79 0.00 1.94 1.79 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 2.25 2.23 0.00 29 F 8.20 5.28 0.00 3.00 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 30 T 8.36 4.98 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 1.13 0.00 0.00 31 G 8.03 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 0.00 0.00 0.00 0.00 32 T 8.88 5.32 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 1.30 0.00 0.00 33 Y 9.25 4.93 0.00 2.91 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 34 T 9.02 5.41 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 1.28 0.00 0.00 35 T 8.53 3.35 4.68 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 1.12 0.00 0.00 36 A 8.24 3.92 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 37 V 6.95 3.75 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 0.72 0.00 0.00 0.77 0.00 0.00 38 T 7.03 4.14 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 1.23 0.00 0.00 39 A 9.40 3.21 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 40 T 8.22 3.28 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 1.31 0.00 0.00 41 S 7.06 4.31 0.00 4.02 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.36 4.48 0.00 2.77 2.75 0.00 0.00 6.66 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 5.99 4.88 0.00 1.85 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 0.00 2.18 2.35 0.00 44 I 8.34 4.52 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 1.35 0.44 0.91 0.00 0.00 45 K 9.32 4.73 0.00 1.88 2.00 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.15 1.07 7.81 46 E 8.77 5.19 0.00 2.00 1.85 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 0.00 2.24 2.37 0.00 47 S 9.23 5.01 0.00 4.12 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 48 P 0.00 5.04 0.00 2.16 2.14 0.00 3.51 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 49 L 8.38 5.56 0.00 1.87 1.70 0.71 0.76 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 50 H 8.58 5.14 0.00 2.97 3.06 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 51 G 7.84 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.43 5.16 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 1.11 0.00 0.00 53 E 9.58 5.34 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 54 N 9.17 4.52 0.00 2.72 2.81 0.00 0.00 7.10 7.26 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 55 T 8.42 4.40 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 1.25 0.00 0.00 56 I 8.12 3.88 1.97 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 1.45 0.82 0.92 0.00 0.00 57 N 8.48 4.09 0.00 2.90 2.96 0.00 0.00 7.38 7.61 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 58 K 7.82 4.11 0.00 1.86 2.11 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 59 R 7.49 4.15 0.00 1.80 1.87 0.00 3.54 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 60 T 8.54 4.08 4.54 0.00 0.00 0.00 0.00 0.00 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 61 Q 7.85 5.06 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 62 P 0.00 4.69 0.00 2.18 2.19 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 63 T 8.36 4.80 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 1.16 0.00 0.00 64 F 8.33 5.47 0.00 3.57 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.50 4.75 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 66 F 9.00 5.54 0.00 3.08 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 67 T 9.16 4.96 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 1.15 0.00 0.00 68 V 8.93 4.19 1.03 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 -0.65 0.00 0.00 0.72 0.00 0.00 69 N 8.04 5.01 0.00 2.67 2.63 0.00 0.00 7.28 9.12 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 70 W 7.65 4.28 0.00 3.07 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 0.00 0.00 0.00 71 K 8.89 4.20 0.00 1.95 1.98 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.73 7.81 72 F 7.35 4.81 0.00 3.12 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 73 S 7.03 4.57 0.00 3.91 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 74 E 8.58 4.34 0.00 1.97 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 2.29 2.32 0.00 75 S 7.89 4.91 0.00 3.82 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 76 T 8.60 4.98 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 1.21 0.00 0.00 77 T 8.49 5.15 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 0.80 0.00 0.00 78 V 8.71 4.84 2.05 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 0.72 0.00 0.00 0.95 0.00 0.00 79 F 8.79 5.21 0.00 1.51 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 80 T 9.26 4.73 4.17 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 1.13 0.00 0.00 81 G 6.84 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 82 Q 7.68 4.66 0.00 1.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.91 0.00 0.00 0.00 0.00 0.00 1.89 2.18 0.00 83 C 8.79 4.78 0.00 3.11 2.93 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 84 F 9.16 5.20 0.00 3.09 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 85 I 9.89 4.75 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 1.09 0.00 0.00 86 D 9.11 4.81 0.00 2.88 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 87 R 8.32 4.48 0.00 1.86 1.91 0.00 3.31 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 88 N 8.16 4.79 0.00 2.79 2.54 0.00 0.00 7.40 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 9.13 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.83 4.01 0.00 1.82 2.03 0.00 1.82 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81 91 E 8.88 4.85 0.00 2.06 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 0.00 2.47 2.41 0.00 92 V 8.94 4.97 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 1.15 0.00 0.00 1.14 0.00 0.00 93 L 9.13 5.17 0.00 1.80 1.81 -0.72 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.12 5.04 0.00 1.93 1.87 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.76 7.81 95 T 9.34 5.24 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 96 M 9.45 5.26 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 97 W 8.36 5.40 0.00 2.76 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 0.00 0.00 0.00 98 L 8.89 5.31 0.00 1.59 1.61 0.90 0.67 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 99 L 9.48 4.98 0.00 1.68 1.82 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.25 4.90 0.00 1.94 1.93 0.00 3.31 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 101 S 8.90 4.88 0.00 3.70 3.72 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 0.00 102 S 8.51 4.37 0.00 3.88 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 0.00 103 V 8.27 4.52 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 0.71 0.00 0.00 0.97 0.00 0.00 104 N 8.68 4.53 0.00 2.71 2.87 0.00 0.00 6.70 8.06 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 0.00 105 D 7.69 4.94 0.00 2.65 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 0.00 106 I 8.59 3.77 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 1.61 1.20 0.94 0.00 0.00 107 G 8.64 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.19 4.72 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.87 4.33 0.00 2.93 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 0.00 110 W 8.39 4.31 0.00 3.65 3.25 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 0.00 111 K 6.67 3.79 0.00 0.96 0.74 0.00 1.01 0.00 0.00 1.01 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.71 0.84 7.81 112 A 7.68 4.30 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 0.00 113 T 7.55 5.10 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 1.23 0.00 0.00 114 R 9.15 4.82 0.00 2.05 2.03 0.00 3.13 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 115 V 7.73 4.37 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 0.55 0.00 0.00 0.67 0.00 0.00 116 G 5.58 3.25 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 0.00 0.00 0.00 0.00 117 I 8.20 5.24 1.98 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 1.33 0.85 0.79 0.00 0.00 118 N 9.12 5.30 0.00 3.22 2.38 0.00 0.00 7.29 7.16 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 0.00 119 I 8.81 5.01 1.90 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 1.32 1.07 1.02 0.00 0.00 120 F 9.42 5.61 0.00 3.01 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 0.00 121 T 9.05 5.41 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 1.36 0.00 0.00 122 R 8.50 3.92 0.00 1.49 1.51 0.00 3.14 0.00 0.00 2.82 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 123 L 8.13 4.16 0.00 1.69 1.45 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00