NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4120 8.2893 120.3486 55.3599 33.0186 174.7002 2 N 4.6536 8.5823 124.1257 51.4498 38.9062 173.0081 3 I 4.5923 8.8025 121.2206 59.5787 41.8975 176.3098 4 I 4.3511 8.3183 123.8211 59.6476 38.3714 175.1798 5 K 4.4424 8.5990 124.9254 54.4029 33.9383 176.2562 6 A 4.5714 8.3856 126.4701 50.8020 21.1397 175.0960 7 N 5.0562 8.1953 116.8097 51.9557 41.4496 175.6671 8 V 3.9501 8.1857 114.5194 62.4812 32.3373 176.7298 9 A 4.2728 8.0320 123.6038 52.0493 18.7780 177.7872 10 A 4.5890 8.1573 120.8782 51.3549 21.7508 174.1920 11 P 4.7710 0.0000 0.0000 64.9069 32.1904 178.9336 12 D 4.6431 8.0778 115.3969 54.3145 40.4646 175.7014 13 A 4.6575 7.6665 124.4433 51.7294 20.3581 178.2669 14 R 4.8302 9.4741 121.0374 55.1134 32.4992 175.7556 15 V 4.9336 8.8630 124.3703 59.9984 34.8432 173.9423 16 A 4.8654 8.4488 128.6200 50.1004 21.5016 175.2005 17 I 4.7972 8.7296 123.7584 59.5824 39.4483 174.6996 18 T 4.7578 8.6729 117.8364 59.9775 70.7845 173.3701 19 I 5.0989 8.2506 126.5261 58.2384 40.4928 174.5122 20 A 5.0703 8.4273 127.7575 51.3171 19.2203 177.9596 21 R 4.4557 9.2878 119.2915 58.2779 30.3051 176.8647 22 F 4.6186 8.1611 121.7358 59.7556 39.7008 174.3197 23 N 4.6796 9.8587 124.0813 54.5562 35.6261 176.1892 24 Q 4.1549 8.3077 120.3437 59.4002 28.1095 177.7808 25 F 4.0691 8.4924 121.5342 61.1490 39.4151 176.3876 26 I 4.2263 8.2910 118.6364 63.6095 37.7186 177.7539 27 N 4.3873 8.2773 116.6084 56.2215 38.2370 177.0169 28 D 4.5499 8.6981 120.8610 57.5827 41.0153 178.6888 29 S 4.0436 7.9671 113.0342 61.1123 62.3997 175.4440 30 L 4.0706 7.8604 123.1512 58.6891 41.6495 178.3310 31 L 3.8743 8.4342 120.4792 57.6037 41.9915 178.6327 32 D 4.5010 8.5666 118.6344 57.3170 41.0045 179.7567 33 G 3.6066 8.1878 105.7797 47.7804 0.0000 175.3114 34 A 3.9076 7.8898 123.3406 54.7371 18.4820 179.2773 35 V 3.4513 7.8716 116.6582 66.3461 31.5226 177.3089 36 D 4.3167 8.1647 117.0688 57.8118 40.9452 177.8035 37 A 3.8857 8.4342 120.7803 55.8283 18.3167 179.0429 38 L 3.8670 8.5233 116.3818 59.3184 41.8879 179.7974 39 T 4.2685 8.2904 111.0050 63.9162 68.5400 176.1455 40 R 3.8553 8.1401 123.6572 58.3482 30.3822 178.4439 41 I 4.2266 7.8114 118.0942 63.5183 38.0609 177.7035 42 G 3.8653 7.8051 103.6758 44.2120 0.0000 173.9599 43 Q 3.7650 8.0076 118.6033 56.4453 27.0678 173.2910 44 V 3.9147 7.5220 118.8439 62.3666 32.1588 175.2566 45 K 4.1586 8.5626 128.8124 56.2326 32.5835 176.6133 46 D 4.7033 8.8029 124.3394 54.0240 39.1474 176.1839 47 D 4.7953 7.9826 117.2279 53.7447 40.1852 176.3158 48 N 4.7182 8.5227 117.7362 53.6316 39.3846 174.0797 49 I 4.9586 7.5884 120.2292 60.2434 38.4400 175.1935 50 T 4.7168 8.9010 117.4426 59.7011 71.9217 173.0092 51 V 4.5956 8.4138 123.6499 61.0547 34.1850 174.5497 52 V 4.2980 8.9617 128.7565 60.7884 33.6604 174.5344 53 W 4.8527 8.9850 129.1448 56.5951 29.5496 176.5640 54 V 4.3247 8.7653 119.3264 59.1193 33.6417 174.6810 55 P 4.3376 0.0000 0.0000 64.9667 31.2951 177.0694 56 G 4.4195 7.9594 108.2875 42.8572 0.0000 174.0988 57 A 4.0766 8.4774 120.5984 54.8148 18.0789 179.2687 58 Y 4.2035 8.1554 117.1122 60.6730 39.2527 177.4076 59 E 4.1169 8.2216 119.0821 57.9561 29.6020 178.5202 60 L 3.9060 7.5122 119.4495 58.3153 41.6544 176.9443 61 P 4.1855 0.0000 0.0000 64.6441 31.0384 178.1906 62 L 3.8030 7.5689 118.0725 58.3710 42.6245 179.2957 63 A 3.9775 7.8233 120.2369 55.6334 18.3219 179.8182 64 T 3.8014 8.1677 108.3831 64.5636 68.6606 176.1293 65 E 3.8405 8.8901 122.4674 59.1552 29.6830 178.2718 66 A 4.0083 8.0344 120.6870 55.6432 18.1781 179.5764 67 L 4.0923 7.6182 114.9700 57.9199 41.9630 179.5097 68 A 4.2281 8.3037 120.7905 55.1513 18.2458 179.8774 69 K 3.9734 8.2010 116.1226 59.5317 32.1177 179.0725 70 S 4.2041 8.0819 113.0122 59.4187 62.0837 175.9153 71 G 3.9815 8.5259 110.7996 46.3556 0.0000 176.1562 72 K 3.5064 7.6208 120.0206 56.4295 31.7962 182.1587 73 Y 5.0961 7.0224 113.1983 56.8100 40.7564 175.4663 74 D 4.7154 9.2624 122.0287 55.9310 41.7799 176.4381 75 A 4.5284 7.3259 117.6732 51.2927 22.4338 175.0610 76 V 4.7206 8.2660 120.1364 61.0343 34.5875 174.5025 77 V 4.3938 8.7741 128.1847 61.4517 33.3658 174.1783 78 A 4.9323 8.5678 130.3647 49.7953 20.7008 175.2591 79 L 5.2583 7.9763 123.0633 52.7350 44.3994 176.4006 80 G 4.2420 7.6845 108.3090 45.9797 0.0000 171.8576 81 T 5.0571 8.5391 116.0740 61.5028 72.0506 174.3257 82 V 4.2162 9.1213 125.1601 61.3062 34.1148 173.9040 83 I 4.7496 8.1992 128.7973 59.7292 38.5131 176.0246 84 R 3.6782 8.4036 127.9384 56.5503 30.3285 176.3498 85 G 4.4293 8.3456 115.8881 44.2713 0.0000 172.8877 86 G 3.6442 8.7707 107.5852 47.4288 0.0000 173.4049 87 T 4.5019 7.6101 108.4825 59.8089 71.4189 173.5714 88 A 4.4897 8.3495 121.3276 52.6829 18.9651 178.5175 89 H 4.2407 8.3317 119.9154 60.3466 29.8514 176.8369 90 F 4.0090 8.4842 121.8549 61.6029 38.9860 176.6573 91 E 3.6295 8.0079 118.4320 59.4941 29.3339 178.3377 92 Y 4.3214 7.3801 115.8717 60.6272 38.2835 177.6217 93 V 3.6627 7.6513 119.2229 65.8912 31.6159 177.8519 94 A 4.0792 7.7849 120.1447 55.1734 18.0537 179.6472 95 G 3.6168 8.1111 104.6979 47.8013 0.0000 176.0912 96 G 3.8364 8.6782 108.4044 45.8830 0.0000 174.9203 97 A 4.2456 7.8433 122.6510 54.4738 19.5412 179.1580 98 S 4.1693 8.2694 111.8551 61.8810 62.3686 176.2689 99 N 4.4429 8.5339 119.4081 55.9347 38.3265 177.3991 100 G 3.7476 7.7560 107.2118 48.0837 0.0000 175.5152 101 L 3.9916 8.0843 121.6627 57.2469 41.8506 179.5759 102 A 3.9851 8.0404 120.6158 55.0688 18.2325 179.5920 103 S 3.9592 8.3007 111.7279 61.5219 62.4940 176.1113 104 V 3.5334 7.7142 120.7285 66.2884 31.1104 177.5754 105 A 4.4165 7.8479 121.2771 54.8237 17.9948 179.4697 106 Q 3.8959 7.6661 116.0135 59.0743 29.1248 177.7217 107 D 4.5441 8.0544 119.5138 56.8838 41.3245 178.4892 108 S 4.3464 8.4413 113.1651 58.7370 63.4545 175.6099 109 G 3.8926 8.1184 109.5400 45.6958 0.0000 173.7443 110 V 3.9729 7.5743 121.0046 61.6064 33.0005 173.5915 111 P 4.5989 0.0000 0.0000 62.6554 32.4928 175.1365 112 V 4.8072 8.4007 123.7282 61.0250 33.9097 174.2814 113 A 4.4193 8.9349 130.6154 51.0387 20.3030 176.3040 114 F 4.8355 9.0081 126.7459 56.2886 38.4274 175.9206 115 G 3.9542 8.1377 118.5508 45.0490 0.0000 171.2102 116 V 4.5430 6.1823 117.7917 60.5317 33.8090 176.0092 117 L 4.2585 8.7187 129.5612 55.1342 42.7593 176.7082 118 T 5.5023 8.7414 112.7151 58.7832 68.9114 172.6240 119 T 4.5970 8.1778 120.9520 61.0438 72.0586 175.0289 120 E 4.1409 9.9239 120.9977 57.2260 30.5138 177.1176 121 S 4.7206 7.5879 112.0290 55.6068 67.6857 174.8437 122 I 3.6916 8.1936 122.8413 64.1966 36.7095 177.9177 123 E 3.9164 8.2726 119.9181 59.8305 29.0791 179.0383 124 Q 4.1555 7.7945 115.6702 58.7934 29.1844 178.2352 125 A 4.1668 7.7906 121.8947 55.4351 18.3010 179.7008 126 I 3.7548 7.8874 118.1575 64.7005 37.1227 178.5466 127 E 4.5267 8.0064 120.4845 58.2061 29.2588 178.5019 128 R 4.5191 7.8916 115.3652 55.7613 30.5260 176.7977 129 A 4.8382 7.2074 121.9016 52.6857 19.5245 177.0028 130 G 4.4594 7.9713 107.9265 48.1425 0.0000 175.3779 131 T 4.5983 7.5363 115.3778 60.0164 68.8857 175.7706 132 K 3.8004 9.2066 117.0966 59.3443 31.7912 177.8370 133 A 4.5686 7.8010 119.3224 52.0530 20.0350 178.9503 134 G 3.7367 8.1050 110.4350 47.4347 0.0000 174.0216 135 N 5.2637 8.2362 117.5564 50.8931 40.8799 175.4381 136 K 4.0133 8.9820 128.8755 59.2066 32.1003 178.8628 137 G 4.0970 8.2706 107.5840 47.4045 0.0000 175.5135 138 A 4.0460 7.8833 123.1889 54.3222 18.4768 179.2520 139 E 3.8559 8.4167 117.8360 59.3554 29.7323 178.8966 140 A 4.0659 8.6619 122.4329 54.3721 18.4272 179.3658 141 A 3.8874 8.1564 119.4279 55.3287 18.4081 179.8628 142 L 3.9365 8.0245 117.6136 58.2505 41.2614 179.9752 143 T 3.8491 8.0842 109.2141 64.5247 68.4741 176.1532 144 A 3.9781 7.9024 124.0477 55.0394 18.4134 179.0600 145 L 3.8728 7.9658 116.8663 58.2220 41.8315 179.3100 146 E 4.1764 8.3176 120.1386 59.0997 29.3937 178.9901 147 M 4.0625 8.0060 118.1253 58.3376 31.9292 178.4160 148 I 3.6987 7.6897 119.9632 64.7763 37.3219 178.1159 149 N 4.3043 7.9504 116.3607 56.3526 38.1971 177.4422 150 V 3.6008 7.9210 118.7173 66.2524 31.6919 177.8681 151 L 4.0804 8.3352 118.7111 57.7050 41.3909 179.1300 152 K 3.8276 8.1965 118.7737 59.5447 32.1726 177.0091 153 A 4.4643 8.2741 120.5694 51.7315 19.4529 177.2558 154 I 3.8904 7.8798 121.1826 63.1071 37.7231 173.9812 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.59 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.35 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.60 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.57 1.23 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 0.00 0.00 0.00 7 N 8.20 5.06 0.00 2.73 2.64 0.00 0.00 6.86 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.19 3.95 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.03 4.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.16 4.59 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 11 P 0.00 4.77 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.64 0.00 2.69 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 13 A 7.67 4.66 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 14 R 9.47 4.83 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.86 4.93 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 0.99 0.00 0.00 0.95 0.00 0.00 16 A 8.45 4.87 0.33 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 17 I 8.73 4.80 1.68 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 1.17 0.85 0.69 0.00 0.00 18 T 8.67 4.76 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 1.09 0.00 0.00 19 I 8.25 5.10 0.71 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.74 0.34 0.00 0.00 20 A 8.43 5.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.29 4.46 0.00 2.08 2.51 0.00 2.86 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.63 0.00 22 F 8.16 4.62 0.00 3.17 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 23 N 9.86 4.68 0.00 2.98 3.00 0.00 0.00 6.88 8.20 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 24 Q 8.31 4.15 0.00 2.52 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 4.07 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.29 4.23 2.11 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 1.67 0.95 0.95 0.00 0.00 27 N 8.28 4.39 0.00 2.88 2.93 0.00 0.00 7.10 8.08 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 28 D 8.70 4.55 0.00 2.65 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 29 S 7.97 4.04 0.00 3.81 3.87 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 30 L 7.86 4.07 0.00 1.93 1.64 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.43 3.87 0.00 1.78 1.78 0.77 1.32 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 D 8.57 4.50 0.00 2.86 2.70 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 33 G 8.19 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 0.00 0.00 0.00 34 A 7.89 3.91 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 V 7.87 3.45 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 0.98 0.00 0.00 0.95 0.00 0.00 36 D 8.16 4.32 0.00 2.83 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 37 A 8.43 3.89 1.38 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 0.00 0.00 0.00 38 L 8.52 3.87 0.00 1.86 1.73 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.29 4.27 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 1.25 0.00 0.00 40 R 8.14 3.86 0.00 1.84 2.25 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 41 I 7.81 4.23 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 1.45 0.96 0.91 0.00 0.00 42 G 7.81 3.87 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 0.00 0.00 0.00 43 Q 8.01 3.76 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.52 3.91 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 0.93 0.00 0.00 1.03 0.00 0.00 45 K 8.56 4.16 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.70 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.98 4.80 0.00 2.78 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 48 N 8.52 4.72 0.00 2.89 2.99 0.00 0.00 6.92 7.11 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 49 I 7.59 4.96 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.90 4.72 4.32 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 1.52 0.00 0.00 51 V 8.41 4.60 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 0.47 0.00 0.00 0.84 0.00 0.00 52 V 8.96 4.30 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.85 0.00 3.23 3.22 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 0.00 0.00 0.00 0.00 54 V 8.77 4.32 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 0.84 0.00 0.00 0.98 0.00 0.00 55 P 0.00 4.34 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.96 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 57 A 8.48 4.08 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 58 Y 8.16 4.20 0.00 2.91 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 59 E 8.22 4.12 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 60 L 7.51 3.91 0.00 1.77 1.71 0.86 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 61 P 0.00 4.19 0.00 2.03 1.83 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 62 L 7.57 3.80 0.00 1.64 1.64 0.92 0.86 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 63 A 7.82 3.98 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 64 T 8.17 3.80 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 1.26 0.00 0.00 65 E 8.89 3.84 0.00 1.99 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 0.00 2.31 2.33 0.00 66 A 8.03 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 4.09 0.00 1.77 1.63 0.64 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.30 4.23 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 69 K 8.20 3.97 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.08 4.20 0.00 3.94 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 0.00 71 G 8.53 3.98 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 0.00 72 K 7.62 3.51 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 7.02 5.10 0.00 2.86 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 74 D 9.26 4.72 0.00 2.55 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.33 4.53 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.27 4.72 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 0.95 0.00 0.00 0.85 0.00 0.00 77 V 8.77 4.39 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.57 4.93 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 79 L 7.98 5.26 0.00 1.38 1.40 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.68 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 0.00 0.00 0.00 0.00 81 T 8.54 5.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 V 9.12 4.22 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 0.90 0.00 0.00 0.86 0.00 0.00 83 I 8.20 4.75 1.85 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 1.24 0.69 0.88 0.00 0.00 84 R 8.40 3.68 0.00 0.67 1.37 0.00 3.05 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.18 0.00 85 G 8.35 4.43 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 0.00 86 G 8.77 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 87 T 7.61 4.50 4.31 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 1.24 0.00 0.00 88 A 8.35 4.49 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 89 H 8.33 4.24 0.00 3.26 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.01 0.00 3.11 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 91 E 8.01 3.63 0.00 1.95 1.12 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 2.01 2.18 0.00 92 Y 7.38 4.32 0.00 2.97 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 93 V 7.65 3.66 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 1.04 0.00 0.00 0.73 0.00 0.00 94 A 7.78 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.11 3.62 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 0.00 0.00 0.00 96 G 8.68 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 97 A 7.84 4.25 1.46 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 0.00 0.00 0.00 0.00 0.00 98 S 8.27 4.17 0.00 3.73 3.89 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 99 N 8.53 4.44 0.00 2.87 2.83 0.00 0.00 6.95 8.43 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 0.00 100 G 7.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.08 3.99 0.00 1.90 1.82 1.05 0.82 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 0.00 102 A 8.04 3.99 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 0.00 103 S 8.30 3.96 0.00 3.96 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 0.00 104 V 7.71 3.53 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 1.01 0.00 0.00 0.96 0.00 0.00 105 A 7.85 4.42 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.67 3.90 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.54 0.00 2.69 2.70 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 0.00 108 S 8.44 4.35 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 0.00 109 G 8.12 3.89 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 0.00 0.00 0.00 110 V 7.57 3.97 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 1.00 0.00 0.00 1.00 0.00 0.00 111 P 0.00 4.60 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.40 4.81 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 1.01 0.00 0.00 113 A 8.93 4.42 1.26 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 0.00 114 F 9.01 4.84 0.00 2.99 2.99 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 0.00 0.00 0.00 115 G 8.14 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 6.18 4.54 1.22 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 0.66 0.00 0.00 -0.02 0.00 0.00 117 L 8.72 4.26 0.00 1.62 1.58 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.74 5.50 4.46 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 0.00 0.00 1.24 0.00 0.00 119 T 8.18 4.60 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 120 E 9.92 4.14 0.00 1.94 1.92 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 2.30 2.30 0.00 121 S 7.59 4.72 0.00 3.95 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 0.00 122 I 8.19 3.69 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 1.48 0.71 0.87 0.00 0.00 123 E 8.27 3.92 0.00 2.06 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 2.38 2.50 0.00 124 Q 7.79 4.16 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.79 4.17 1.38 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 0.00 0.00 0.00 126 I 7.89 3.75 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.91 0.99 0.00 0.00 127 E 8.01 4.53 0.00 2.21 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 2.34 2.38 0.00 128 R 7.89 4.52 0.00 1.89 1.95 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.84 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 0.00 130 G 7.97 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.54 4.60 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 1.28 0.00 0.00 132 K 9.21 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.80 4.57 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 0.00 134 G 8.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.24 5.26 0.00 2.70 2.65 0.00 0.00 6.93 6.83 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 0.00 136 K 8.98 4.01 0.00 1.82 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.88 4.05 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 0.00 139 E 8.42 3.86 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 140 A 8.66 4.07 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 0.00 141 A 8.16 3.89 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 0.00 142 L 8.02 3.94 0.00 1.99 1.73 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.08 3.85 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 1.30 0.00 0.00 144 A 7.90 3.98 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 0.00 145 L 7.97 3.87 0.00 1.85 1.89 0.94 0.62 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 0.00 146 E 8.32 4.18 0.00 2.02 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 2.32 2.24 0.00 147 M 8.01 4.06 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.69 3.70 2.06 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 1.68 0.91 0.92 0.00 0.00 149 N 7.95 4.30 0.00 2.93 2.86 0.00 0.00 6.73 8.89 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 0.00 150 V 7.92 3.60 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 0.83 0.00 0.00 1.01 0.00 0.00 151 L 8.34 4.08 0.00 1.94 1.69 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.20 3.83 0.00 1.81 2.10 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.27 4.46 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 0.00 154 I 7.88 3.89 1.87 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 1.16 0.73 0.91 0.00 0.00