NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4607 8.3049 120.3294 54.8104 33.4849 174.4709 2 E 3.9174 8.3105 119.2283 55.2355 29.4783 175.6364 3 A 4.0213 9.3564 126.4224 52.6999 19.7405 178.5829 4 L 4.0209 8.5183 122.8224 55.8996 41.9672 177.5897 5 G 3.7525 8.1924 102.5404 46.0208 0.0000 173.0173 6 A 4.5045 7.4907 116.3322 51.0610 21.9667 176.4692 7 D 4.7685 8.4150 121.4711 53.3418 42.6450 175.8471 8 V 4.6739 8.3844 122.2387 61.4368 34.4883 175.1566 9 T 4.4488 7.7998 123.4380 61.6258 68.9769 174.0405 10 Q 3.8584 8.6785 124.7254 56.7652 28.9989 177.6311 11 G 4.1088 9.0044 109.2430 45.9518 0.0000 172.7576 12 L 5.1008 8.3220 120.3630 52.8112 45.9594 175.3506 13 E 5.1921 9.1324 119.8804 53.8665 34.0331 175.4889 14 K 3.8569 8.3581 122.9912 58.5611 32.4652 177.3269 15 G 3.9852 9.0813 115.0366 44.9729 0.0000 173.6040 16 S 4.3659 8.2299 117.3318 58.3072 64.1809 173.2178 17 L 5.1172 8.4686 124.6262 53.6255 42.6420 175.7425 18 I 4.7071 8.8164 117.2061 59.0718 41.7995 174.4192 19 T 4.5598 8.5819 118.6376 63.3245 69.9145 174.4418 20 C 4.7405 8.6932 126.5827 57.3058 31.2641 174.0577 21 A 4.5384 8.1467 134.5084 50.1270 16.1772 174.3907 22 D 5.2068 7.6802 120.1215 52.9408 43.0727 176.5445 23 N 5.1157 8.4067 114.6124 53.0105 36.9332 176.6527 24 T 3.9166 8.5929 112.6523 64.2937 69.3640 175.1068 25 G 3.9484 8.3181 108.2251 45.0198 0.0000 172.4617 26 A 4.7787 7.5166 123.6284 50.7969 20.4759 176.7599 27 R 4.3049 8.9213 122.7994 58.0575 31.8084 175.9986 28 E 5.0389 8.0394 119.3693 54.2858 32.2668 174.0982 29 L 5.2840 8.9666 126.3215 52.7430 45.6882 175.1539 30 K 4.9460 8.8499 124.0463 54.3007 34.6894 175.4699 31 V 3.9366 8.5887 128.4087 63.4416 31.9434 176.2870 32 I 4.5359 8.3605 127.3409 62.5340 39.9652 175.7329 33 S 4.6337 7.6855 114.6383 57.6640 67.5419 174.1172 34 V 4.5746 8.0906 121.5277 61.0081 33.5559 174.5758 35 H 4.1246 9.2023 128.5927 57.8655 30.1543 174.4413 36 G 4.0200 8.4267 112.4994 46.3464 0.0000 171.8720 37 Y 4.7232 7.6304 119.2829 55.3023 40.4775 175.3354 38 S 4.3695 7.2960 119.9804 56.5765 66.6175 172.8439 39 G 4.1934 7.7898 120.5903 44.4563 0.0000 175.1313 40 T 4.2724 8.5871 116.5469 60.4614 69.6896 171.6041 41 K 4.1442 8.3852 126.3090 57.4483 32.5140 176.6733 42 N 4.4756 8.9808 122.0332 53.7436 37.3683 174.3627 43 R 4.0991 8.2526 119.5277 55.8238 30.5177 175.6119 44 H 4.4423 8.7852 123.5711 54.7438 29.4884 173.3060 45 P 4.6587 0.0000 0.0000 63.3537 31.8360 175.2086 46 K 5.1001 7.9902 123.1787 55.0934 34.8532 175.3758 47 A 4.7473 9.1581 123.3131 50.8557 23.2498 175.9245 48 G 4.2636 9.0632 106.9932 44.4177 0.0000 172.0770 49 L 4.1848 8.0900 119.0912 56.7206 41.8675 178.4980 50 G 4.1184 8.8160 110.3790 45.7241 0.0000 173.3413 51 D 4.8064 7.9108 120.2045 53.5482 42.8134 175.3134 52 K 4.8026 8.6568 123.4647 55.1967 33.8326 175.2316 53 I 4.9991 8.3979 120.5601 59.4096 41.2701 174.5838 54 T 4.9037 8.8665 120.0485 62.8836 70.4582 174.1657 55 V 5.0543 9.0965 123.8276 61.6181 35.9457 173.4176 56 S 5.2143 8.8454 118.1998 56.3775 66.5933 173.2214 57 V 4.3414 8.1717 122.0188 62.9121 31.6879 176.5237 58 T 4.1872 8.6744 125.7076 65.4079 69.3789 175.6703 59 K 4.5552 8.7331 118.8313 54.7353 36.5383 177.5233 60 G 4.0618 8.6436 108.8411 44.5168 0.0000 172.6781 61 T 3.9556 8.2828 111.6015 61.0643 69.5691 173.2785 62 P 4.1865 0.0000 0.0000 66.2322 31.1538 178.5776 63 E 4.0466 8.0762 115.4042 59.2720 29.6196 178.5100 64 M 4.2216 8.3618 118.7222 56.2302 32.4089 176.9332 65 R 4.0654 6.8606 117.2053 57.4323 30.6404 177.4611 66 R 4.0074 8.5543 119.0061 56.5378 29.2780 176.6263 67 Q 4.2144 7.5787 118.4634 55.5489 30.1992 175.4388 68 V 4.4022 8.3458 123.6926 62.0358 32.3657 174.2958 69 L 4.9325 8.9079 129.0369 52.8985 45.7774 174.9245 70 E 5.0684 8.3859 118.7700 55.3338 33.0582 174.4286 71 A 4.8428 8.3020 124.1513 51.3621 23.7018 175.0123 72 V 4.6032 8.0913 117.4694 61.0761 35.2412 174.8665 73 V 4.1737 8.4560 127.9933 62.9337 31.8752 176.2160 74 V 4.0355 8.9096 129.1393 64.1653 33.2040 175.5992 75 R 4.1563 7.4381 117.5414 54.7690 34.6750 173.9646 76 Q 4.9459 8.0444 118.3665 55.0640 31.5950 175.8967 77 R 4.4201 9.1188 120.1800 58.5277 30.4714 177.7122 78 K 4.2355 7.8626 118.5678 55.4491 33.3063 175.3378 79 P 4.9200 0.0000 0.0000 63.0555 32.9426 175.0586 80 I 4.9027 8.4532 114.0874 59.3768 41.5561 173.8064 81 R 4.9653 8.7570 125.2939 55.2895 31.5487 175.5428 82 R 4.6862 8.8291 125.5826 54.5420 31.6916 176.0574 83 P 4.0100 0.0000 0.0000 65.9404 31.5132 176.8307 84 D 4.6266 8.0575 114.9538 53.1950 39.4203 176.5569 85 G 4.0974 8.7752 110.8234 46.1037 0.0000 174.7991 86 T 4.1014 7.6016 115.8368 63.9538 69.6160 173.7269 87 R 5.1256 8.4000 121.9273 54.7109 33.1633 175.8179 88 V 4.5394 8.6059 120.9061 61.1192 34.9558 174.3378 89 K 4.9749 8.3526 125.2046 55.4751 35.8359 175.2885 90 F 4.7557 8.8802 120.2543 55.6503 41.5887 176.6354 91 E 4.0083 9.0299 120.6060 58.9065 29.6689 175.2290 92 D 4.7419 7.7538 115.7888 52.7568 42.8363 173.6796 93 N 5.1375 8.7074 115.0515 51.6651 40.8781 174.2900 94 A 5.2127 9.2419 124.4089 50.4849 23.4756 174.5588 95 A 4.9915 9.1441 120.6788 50.3435 23.6864 175.2563 96 V 4.4918 8.5253 120.0472 60.6442 34.1688 175.2000 97 I 4.2523 8.3004 129.3324 62.1043 37.9606 175.5443 98 V 4.7590 8.6000 125.7742 60.0806 34.9050 174.4195 99 D 5.0343 7.8451 119.3899 51.3655 41.9110 176.2784 100 E 3.8888 8.8954 117.3860 60.1411 29.2876 178.1834 101 N 4.5322 8.7653 113.2726 53.5341 38.9068 175.2738 102 E 3.7660 8.3694 117.1402 57.1275 27.2332 173.5141 103 D 5.0703 8.3016 118.2937 50.9223 40.9924 174.3307 104 P 4.3765 0.0000 0.0000 63.3205 31.3537 177.3173 105 R 3.9931 8.5449 122.8738 58.4436 30.2066 176.4281 106 G 4.0491 7.1279 105.9351 44.5729 0.0000 172.8626 107 T 4.3840 8.4668 113.8404 64.1358 70.0978 175.1880 108 E 4.8048 9.4307 120.3684 54.3960 34.0749 174.7364 109 L 5.0570 8.4756 122.5131 53.1632 43.4344 176.0229 110 K 4.2203 8.3045 124.5141 56.5468 33.0450 178.1618 111 G 3.9483 8.9499 110.5080 44.0914 0.0000 170.4482 112 P 4.9081 0.0000 0.0000 62.8096 32.7490 175.5785 113 I 4.7253 8.3276 118.7662 59.4811 42.1700 174.8441 114 A 4.7006 8.2497 126.9812 51.7553 19.0841 178.9398 115 R 3.9098 8.9916 118.9872 59.7010 29.0921 179.0374 116 E 3.9153 8.3484 118.6383 59.2652 29.2970 179.3978 117 V 3.4433 7.8540 117.4819 65.5072 31.3820 177.7372 118 A 4.0161 8.1059 121.0408 55.3308 18.1140 179.3466 119 Q 4.0304 7.2475 113.0231 57.5879 29.0879 177.6486 120 R 4.0493 7.9632 117.4983 56.9162 32.6914 175.8974 121 F 4.8836 7.8466 118.9950 54.5392 39.2172 175.8714 122 G 3.7340 8.5012 111.6665 47.9387 0.0000 172.4490 123 S 4.0102 8.1245 118.2092 60.1186 62.6141 176.6931 124 V 3.5968 7.8379 121.2504 65.6384 31.4202 177.7349 125 A 4.0753 8.2121 120.9269 55.1216 18.3075 179.7696 126 S 4.3823 8.8171 109.5842 59.1569 62.4743 174.8816 127 A 4.6857 7.5325 121.9319 51.8004 19.9705 176.9105 128 A 4.3048 8.1801 120.0919 52.3260 19.3657 178.2763 129 T 4.2073 8.5397 118.3804 65.9488 69.3042 175.2578 130 M 4.8521 7.8296 119.8149 53.4160 35.8447 174.4820 131 I 4.7481 8.4460 123.3173 59.5735 39.9142 175.6417 132 V 3.9652 8.5583 126.6677 62.9172 30.9940 175.6801 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 4.46 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 E 8.31 3.92 0.00 1.94 1.80 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 2.27 2.33 0.00 3 A 9.36 4.02 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 4 L 8.52 4.02 0.00 1.65 1.75 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.19 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 6 A 7.49 4.50 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 7 D 8.42 4.77 0.00 2.64 2.60 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 8 V 8.38 4.67 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 0.84 0.00 0.00 0.96 0.00 0.00 9 T 7.80 4.45 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 1.22 0.00 0.00 10 Q 8.68 3.86 0.00 1.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 11 G 9.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.32 5.10 0.00 1.62 1.49 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.13 5.19 0.00 1.82 1.80 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 2.21 2.22 0.00 14 K 8.36 3.86 0.00 1.72 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 15 G 9.08 3.99 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 0.00 0.00 0.00 16 S 8.23 4.37 0.00 3.77 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 17 L 8.47 5.12 0.00 1.51 1.60 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.82 4.71 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 0.89 0.00 0.00 19 T 8.58 4.56 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 1.20 0.00 0.00 20 C 8.69 4.74 0.00 3.02 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 21 A 8.15 4.54 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 22 D 7.68 5.21 0.00 2.69 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 23 N 8.41 5.12 0.00 2.72 2.91 0.00 0.00 5.99 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 24 T 8.59 3.92 4.22 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 1.27 0.00 0.00 25 G 8.32 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 26 A 7.52 4.78 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 27 R 8.92 4.30 0.00 1.77 1.96 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 28 E 8.04 5.04 0.00 2.01 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 0.00 2.26 2.29 0.00 29 L 8.97 5.28 0.00 1.55 1.48 0.88 0.49 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 30 K 8.85 4.95 0.00 1.75 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.59 3.94 2.21 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 0.79 0.00 0.00 0.95 0.00 0.00 32 I 8.36 4.54 1.87 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 1.22 0.97 0.91 0.00 0.00 33 S 7.69 4.63 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.09 4.57 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 0.94 0.00 0.00 0.81 0.00 0.00 35 H 9.20 4.12 0.00 3.17 3.35 0.00 6.15 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.43 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 0.00 0.00 0.00 37 Y 7.63 4.72 0.00 2.85 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 38 S 7.30 4.37 0.00 3.79 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 39 G 7.79 4.19 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 40 T 8.59 4.27 4.22 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 1.23 0.00 0.00 41 K 8.39 4.14 0.00 1.76 1.72 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 42 N 8.98 4.48 0.00 2.94 3.00 0.00 0.00 7.07 7.66 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 43 R 8.25 4.10 0.00 1.76 2.06 0.00 3.37 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 44 H 8.79 4.44 0.00 3.31 3.21 0.00 5.79 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 45 P 0.00 4.66 0.00 2.16 2.45 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 46 K 7.99 5.10 0.00 1.65 1.74 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.11 1.14 7.81 47 A 9.16 4.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.06 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 49 L 8.09 4.18 0.00 1.68 1.67 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.82 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 51 D 7.91 4.81 0.00 2.76 2.60 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 52 K 8.66 4.80 0.00 1.83 1.68 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.67 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.48 7.81 53 I 8.40 5.00 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.88 0.00 0.00 54 T 8.87 4.90 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 1.26 0.00 0.00 55 V 9.10 5.05 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 1.05 0.00 0.00 0.90 0.00 0.00 56 S 8.85 5.21 0.00 3.88 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 57 V 8.17 4.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.67 4.19 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 1.31 0.00 0.00 59 K 8.73 4.56 0.00 1.72 1.63 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.52 7.81 60 G 8.64 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 61 T 8.28 3.96 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 1.24 0.00 0.00 62 P 0.00 4.19 0.00 2.17 2.18 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 63 E 8.08 4.05 0.00 1.93 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 2.31 2.34 0.00 64 M 8.36 4.22 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 65 R 6.86 4.07 0.00 2.09 1.86 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 66 R 8.55 4.01 0.00 1.99 2.10 0.00 3.15 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.58 4.21 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 68 V 8.35 4.40 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 0.78 0.00 0.00 0.92 0.00 0.00 69 L 8.91 4.93 0.00 1.53 1.52 0.90 0.51 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 70 E 8.39 5.07 0.00 1.98 1.82 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 2.20 2.24 0.00 71 A 8.30 4.84 1.15 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 72 V 8.09 4.60 1.75 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 0.81 0.00 0.00 -0.15 0.00 0.00 73 V 8.46 4.17 2.19 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 0.80 0.00 0.00 0.94 0.00 0.00 74 V 8.91 4.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 75 R 7.44 4.16 0.00 1.48 1.22 0.00 3.15 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 76 Q 8.04 4.95 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 77 R 9.12 4.42 0.00 1.85 2.07 0.00 3.14 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 78 K 7.86 4.24 0.00 1.77 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.55 7.81 79 P 0.00 4.92 0.00 2.12 1.97 0.00 3.61 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.45 4.90 2.03 0.00 0.00 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 1.44 0.98 0.99 0.00 0.00 81 R 8.76 4.97 0.00 1.93 1.84 0.00 3.08 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 1.56 1.60 0.00 82 R 8.83 4.69 0.00 1.80 1.82 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 83 P 0.00 4.01 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 84 D 8.06 4.63 0.00 2.78 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 85 G 8.78 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 86 T 7.60 4.10 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 1.19 0.00 0.00 87 R 8.40 5.13 0.00 1.65 1.82 0.00 3.32 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 88 V 8.61 4.54 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 nan 0.00 0.00 0.89 0.00 0.00 89 K 8.35 4.97 0.00 1.96 1.71 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.41 7.81 90 F 8.88 4.76 0.00 3.32 3.06 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 91 E 9.03 4.01 0.00 1.97 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 0.00 2.32 2.27 0.00 92 D 7.75 4.74 0.00 2.68 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 93 N 8.71 5.14 0.00 2.63 2.72 0.00 0.00 6.46 7.08 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 94 A 9.24 5.21 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.14 4.99 1.15 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 96 V 8.53 4.49 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 0.99 0.00 0.00 0.93 0.00 0.00 97 I 8.30 4.25 1.83 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 1.24 0.46 0.90 0.00 0.00 98 V 8.60 4.76 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 0.59 0.00 0.00 0.74 0.00 0.00 99 D 7.85 5.03 0.00 2.93 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 0.00 100 E 8.90 3.89 0.00 1.97 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 0.00 2.32 2.35 0.00 101 N 8.77 4.53 0.00 2.95 2.87 0.00 0.00 7.19 7.63 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 0.00 102 E 8.37 3.77 0.00 2.20 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 0.00 2.20 2.29 0.00 103 D 8.30 5.07 0.00 2.87 2.57 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 0.00 104 P 0.00 4.38 0.00 2.19 2.19 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 105 R 8.54 3.99 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.13 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 0.00 107 T 8.47 4.38 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 0.00 108 E 9.43 4.80 0.00 1.81 1.77 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 2.21 2.26 0.00 109 L 8.48 5.06 0.00 1.51 1.58 0.96 0.94 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 0.00 110 K 8.30 4.22 0.00 1.58 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.38 7.81 111 G 8.95 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 0.00 112 P 0.00 4.91 0.00 2.27 2.17 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 113 I 8.33 4.73 1.90 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 1.13 0.74 0.92 0.00 0.00 114 A 8.25 4.70 1.40 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 0.00 0.00 0.00 115 R 8.99 3.91 0.00 2.07 2.25 0.00 3.00 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 116 E 8.35 3.92 0.00 2.11 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 2.43 2.62 0.00 117 V 7.85 3.44 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 1.32 0.00 0.00 1.00 0.00 0.00 118 A 8.11 4.02 1.40 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 0.00 0.00 0.00 119 Q 7.25 4.03 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 120 R 7.96 4.05 0.00 1.14 0.66 0.00 2.88 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.29 0.00 121 F 7.85 4.88 0.00 3.12 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 0.00 122 G 8.50 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.12 4.01 0.00 4.07 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 0.00 124 V 7.84 3.60 2.37 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 1.04 0.00 0.00 0.91 0.00 0.00 125 A 8.21 4.08 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 0.00 126 S 8.82 4.38 0.00 4.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.53 4.69 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 0.00 128 A 8.18 4.30 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 0.00 129 T 8.54 4.21 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 0.00 130 M 7.83 4.85 0.00 1.95 1.95 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 2.59 2.54 0.00 131 I 8.45 4.75 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.56 3.97 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 0.66 0.00 0.00 0.98 0.00 0.00