NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.2970 8.1744 117.3761 63.5014 70.1111 173.3259 11 S 4.4790 8.2840 120.4027 56.0239 65.0426 172.4368 12 P 4.2563 0.0000 0.0000 65.6588 31.5734 178.4657 13 A 4.0308 7.9531 119.1213 55.1214 18.3549 179.7224 14 V 3.5610 7.5478 116.5805 66.0290 31.4573 178.4682 15 K 4.1974 8.4069 117.5515 59.5822 32.6637 179.3037 16 R 4.0221 8.1083 119.6414 59.2631 30.0815 178.6883 17 L 4.2598 8.1662 118.8227 58.1267 41.7328 179.7477 18 L 4.2604 8.7988 118.7806 57.1711 41.2107 179.5827 19 G 3.4708 7.8142 105.6411 47.2236 0.0000 174.3202 20 W 4.6413 7.7049 117.8365 56.3399 29.5695 176.6700 21 K 4.0813 7.7720 120.9044 56.4548 32.1203 176.1064 22 Q 4.2690 8.6263 125.0809 55.2269 29.3505 176.2667 23 G 3.7690 8.5480 112.5511 45.2306 0.0000 173.4576 24 D 4.7575 8.2492 122.2339 51.8563 42.7360 177.1259 25 E 3.9663 8.6021 117.8595 59.7017 29.2245 179.1947 26 E 3.9385 8.0819 118.7722 59.3077 29.8402 178.3596 27 E 3.9708 8.5756 119.4069 59.0543 29.7984 178.8179 28 K 3.9969 8.4557 119.0589 59.0803 32.0080 179.0959 29 W 3.9691 8.5399 128.5748 60.4688 30.7042 177.9113 30 A 3.7112 8.4705 120.8466 54.9624 17.6463 179.2475 31 E 3.8153 8.1179 118.0085 59.2309 29.6790 179.1498 32 K 3.7617 7.6049 117.8486 59.3960 32.1218 179.1611 33 A 3.6885 7.4086 121.2066 54.8754 18.0073 179.9274 34 V 3.6278 7.7140 116.8316 66.0063 31.6362 177.5768 35 D 4.2835 8.2207 117.7686 57.5040 40.6349 178.0590 36 A 3.9771 8.2940 121.4584 55.3105 18.3298 179.4205 37 L 3.9518 7.8593 118.6187 58.0852 42.0993 179.2635 38 V 3.5748 8.1366 118.6688 65.8883 31.2238 177.9361 39 K 3.8719 7.8416 117.2410 59.6628 32.2269 179.0830 40 K 4.1332 7.7368 117.2847 59.4020 32.0242 179.4562 41 L 4.1429 7.9787 119.1836 57.3186 41.3524 179.3386 42 K 3.9351 8.0091 118.0282 59.3743 32.0564 178.5526 43 K 4.4204 7.4520 114.3282 56.0339 32.4010 176.8965 44 K 4.4851 7.7454 119.8826 54.0039 34.8434 175.9204 45 K 4.2267 8.5807 124.4247 57.6933 32.6436 176.5577 46 G 4.0306 9.0818 111.2295 45.2185 0.0000 175.3522 47 A 3.9034 7.8511 120.9939 55.5314 18.3781 179.4088 48 M 3.9205 7.9607 116.3145 58.6249 31.5899 178.8073 49 E 3.8955 8.0291 117.9660 59.3109 29.6529 178.8246 50 E 3.8744 8.3903 119.6346 59.2474 29.7516 178.5947 51 L 3.7773 8.1985 120.7640 58.0828 42.1033 178.5547 52 E 3.7893 8.1170 119.2750 58.9265 29.4321 178.8670 53 K 3.8155 8.3417 118.8356 59.4781 31.9341 179.1229 54 A 3.8484 7.8453 119.7242 55.1546 18.3602 179.4025 55 L 4.1807 7.7114 116.7452 57.2583 41.7366 179.0528 56 S 4.4824 7.7185 113.1364 58.9777 64.9949 174.2887 57 C 4.7240 7.8792 120.1988 56.5698 27.9752 172.3713 58 P 3.5448 0.0000 0.0000 65.0769 31.5337 178.5133 59 G 3.6401 7.9145 105.7512 47.9535 0.0000 173.4842 60 Q 4.3174 7.4695 119.3629 53.6173 29.5314 173.8561 61 P 4.2711 0.0000 0.0000 63.1923 31.9183 175.3902 62 S 4.7223 8.1879 114.4831 56.5080 66.2370 173.1282 63 N 4.8145 9.8254 120.0246 52.1698 39.3300 175.2817 64 C 4.1832 8.5861 117.3626 60.2564 28.8905 173.9974 65 V 4.4044 8.3221 122.6327 61.5406 33.5706 174.0893 66 T 5.2787 8.5042 117.8651 59.8008 71.6366 173.2179 67 I 4.7189 8.3350 115.3111 58.0687 41.4189 172.8809 68 P 4.8673 0.0000 0.0000 62.6112 31.8395 175.7162 69 R 4.6591 8.9490 124.2928 55.0450 31.3589 176.4740 70 S 4.6058 8.5787 120.3649 57.0969 64.7120 175.0584 71 L 3.9829 8.5815 120.6842 57.8172 41.2395 178.4244 72 D 4.5746 8.0953 114.4549 53.3487 40.1407 176.0189 73 G 4.2710 7.8156 108.2910 45.6880 0.0000 174.4699 74 R 4.5044 8.0353 117.2879 56.1081 31.0989 176.1216 75 L 4.8977 9.5268 123.0643 53.3672 45.5292 174.7365 76 Q 5.2156 8.7993 125.9810 54.3418 31.6089 174.7691 77 V 4.1791 8.8787 125.4229 62.1731 34.4116 175.1207 78 S 3.9593 9.6872 123.2175 60.6696 60.2815 170.6700 79 H 4.2657 8.1393 108.3200 56.3636 28.0434 174.7983 80 R 4.6753 8.0901 117.3689 55.0116 33.1637 174.6515 81 K 5.0894 8.7018 122.5663 54.9571 34.4880 175.6784 82 G 4.1378 8.9493 110.4797 45.3950 0.0000 170.6840 83 L 4.8253 8.1698 118.9596 52.9518 43.1186 176.2386 84 P 4.2919 0.0000 0.0000 66.2071 31.3537 178.5853 85 H 4.2278 8.3393 113.2503 58.6621 28.3569 177.6055 86 V 3.3190 7.1421 120.3889 65.5373 31.3887 177.7876 87 I 3.5212 7.7328 119.7493 64.8114 37.0100 178.1191 88 Y 4.0110 7.7687 117.0006 60.7282 37.6474 178.0316 89 C 4.1906 8.4588 118.4742 62.6579 27.7265 176.0904 90 R 4.0489 8.0647 119.8178 59.1538 29.3922 179.2646 91 V 3.2967 7.1442 116.3856 65.3139 31.6312 177.4039 92 W 4.8656 7.5030 114.5033 56.8186 29.5966 176.3222 93 R 4.0455 7.4963 116.1891 56.4847 33.1002 176.0396 94 W 4.8341 7.9738 122.8444 53.6330 29.3545 174.4409 95 P 4.4549 0.0000 0.0000 64.1098 31.1360 177.1014 96 D 4.7168 7.9847 115.2838 52.4638 39.7797 176.1046 97 L 3.9027 7.9491 122.6370 56.3959 42.4666 176.7437 98 Q 4.1276 8.7753 125.9268 57.8372 29.3652 175.8651 99 S 4.4649 7.2073 109.4368 57.5531 65.5677 174.4951 100 H 4.1517 8.5067 114.6349 58.4283 28.2571 177.0611 101 H 4.2527 7.4706 116.4979 58.1208 28.7981 175.7919 102 E 4.5608 8.1033 118.5361 55.8380 29.3923 174.9145 103 L 5.2752 7.6456 118.7767 52.8695 45.0134 176.2227 104 K 4.9728 9.0033 121.9668 53.8372 36.1518 173.9110 105 P 4.7898 0.0000 0.0000 62.5380 32.4920 176.1070 106 L 4.2905 8.5143 122.2338 54.4684 42.5004 178.2034 107 E 3.9869 8.7950 120.7168 59.4868 29.6165 178.6263 108 C 4.1423 7.8780 112.3740 60.2376 29.9361 173.1361 109 C 4.1462 7.5196 121.9343 58.8761 31.2765 172.6074 110 E 4.1378 8.6317 126.8052 56.4927 30.2153 175.3208 111 F 5.0044 7.4657 116.5884 57.0053 40.3255 172.8344 112 P 4.7835 0.0000 0.0000 62.1119 32.6679 177.5613 113 F 4.2678 9.4699 123.5438 62.0667 38.9572 178.3304 114 G 3.6979 8.3854 103.2998 47.5159 0.0000 174.8149 115 S 4.2005 8.0850 114.6055 58.5628 64.1664 173.9708 116 K 3.5801 7.3135 121.5284 57.7024 29.7273 172.9624 117 Q 4.6257 7.3946 116.2916 53.8424 32.0757 176.3341 118 K 4.0975 8.7615 117.2001 59.7951 32.7407 177.2076 119 E 5.1418 8.2122 118.4232 54.5756 32.4176 175.3602 120 V 4.8412 8.7878 122.0938 60.1174 34.6048 174.2220 121 C 5.0823 9.6196 125.9445 58.8465 32.1867 173.1262 122 I 4.6508 8.8895 117.7631 60.2075 38.1730 174.6316 123 N 4.3091 8.3044 120.5400 53.7699 38.7547 173.5868 124 P 4.4830 0.0000 0.0000 65.3820 31.6737 177.5014 125 Y 4.6543 8.4963 114.7262 58.6080 37.8804 175.2657 126 H 4.9903 8.6007 116.8122 55.8033 29.8780 173.8957 127 Y 5.4762 8.0254 114.2623 56.1075 41.9439 174.8148 128 K 4.9885 9.6154 120.6874 55.2250 36.1858 174.8351 129 R 4.3973 8.2369 121.8439 55.4332 31.2265 175.4365 130 V 4.4853 8.3308 118.1257 60.1155 36.3897 174.1595 131 E 4.4200 8.5350 121.5625 55.3869 31.2228 176.8851 132 S 4.2674 8.2381 113.2632 58.7693 63.2115 173.8487 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 10 T 8.17 4.30 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 11 S 8.28 4.48 0.00 3.97 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 12 P 0.00 4.26 0.00 2.21 2.09 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 13 A 7.95 4.03 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 14 V 7.55 3.56 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 1.06 0.00 0.00 0.95 0.00 0.00 15 K 8.41 4.20 0.00 1.89 1.93 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.47 7.81 16 R 8.11 4.02 0.00 2.23 2.12 0.00 3.21 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 17 L 8.17 4.26 0.00 1.90 1.82 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.80 4.26 0.00 1.84 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.81 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 20 W 7.70 4.64 0.00 3.42 3.24 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 21 K 7.77 4.08 0.00 1.83 1.79 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.45 7.81 22 Q 8.63 4.27 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 23 G 8.55 3.77 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 0.00 0.00 0.00 24 D 8.25 4.76 0.00 2.88 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 25 E 8.60 3.97 0.00 1.99 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 2.41 2.32 0.00 26 E 8.08 3.94 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 27 E 8.58 3.97 0.00 2.13 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 2.30 2.34 0.00 28 K 8.46 4.00 0.00 2.01 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.61 7.81 29 W 8.54 3.97 0.00 3.47 3.36 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 0.00 30 A 8.47 3.71 1.36 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 0.00 0.00 0.00 31 E 8.12 3.82 0.00 2.02 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 2.25 2.31 0.00 32 K 7.60 3.76 0.00 1.58 1.56 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.49 7.81 33 A 7.41 3.69 0.47 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 34 V 7.71 3.63 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 1.23 0.00 0.00 0.89 0.00 0.00 35 D 8.22 4.28 0.00 2.87 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 36 A 8.29 3.98 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.95 0.00 1.59 1.73 0.72 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.14 3.57 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 0.96 0.00 0.00 1.03 0.00 0.00 39 K 7.84 3.87 0.00 1.95 1.87 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.68 7.81 40 K 7.74 4.13 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.73 7.81 41 L 7.98 4.14 0.00 1.66 1.65 0.83 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 42 K 8.01 3.94 0.00 1.70 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 43 K 7.45 4.42 0.00 1.92 1.83 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 44 K 7.75 4.49 0.00 1.73 1.63 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.34 7.81 45 K 8.58 4.23 0.00 1.73 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.37 7.81 46 G 9.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.85 3.90 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 48 M 7.96 3.92 0.00 1.99 2.10 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 2.66 2.55 0.00 49 E 8.03 3.90 0.00 2.15 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 2.37 2.39 0.00 50 E 8.39 3.87 0.00 2.20 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 2.28 2.32 0.00 51 L 8.20 3.78 0.00 1.60 1.48 0.56 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.12 3.79 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 53 K 8.34 3.82 0.00 1.94 1.78 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.59 7.81 54 A 7.85 3.85 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 55 L 7.71 4.18 0.00 1.42 1.54 -0.29 0.30 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 56 S 7.72 4.48 0.00 3.98 3.92 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 57 C 7.88 4.72 0.00 2.84 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 58 P 0.00 3.54 0.00 1.83 1.48 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 59 G 7.91 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 60 Q 7.47 4.32 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 61 P 0.00 4.27 0.00 2.03 2.02 0.00 3.60 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 2.03 2.11 0.00 62 S 8.19 4.72 0.00 3.89 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 63 N 9.83 4.81 0.00 2.77 2.84 0.00 0.00 7.00 7.54 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 64 C 8.59 4.18 0.00 3.22 3.12 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 65 V 8.32 4.40 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 0.93 0.00 0.00 0.88 0.00 0.00 66 T 8.50 5.28 4.16 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 0.98 0.00 0.00 67 I 8.33 4.72 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.90 0.00 0.00 68 P 0.00 4.87 0.00 1.97 2.04 0.00 3.72 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 69 R 8.95 4.66 0.00 1.86 1.95 0.00 3.19 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 70 S 8.58 4.61 0.00 4.08 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 71 L 8.58 3.98 0.00 1.67 1.79 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.10 4.57 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 73 G 7.82 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 74 R 8.04 4.50 0.00 2.00 1.92 0.00 3.12 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 1.71 1.64 0.00 75 L 9.53 4.90 0.00 1.77 1.53 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.80 5.22 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 77 V 8.88 4.18 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 0.50 0.00 0.00 0.84 0.00 0.00 78 S 9.69 3.96 0.00 3.96 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 79 H 8.14 4.27 0.00 3.43 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.09 4.68 0.00 2.10 1.55 0.00 2.21 0.00 0.00 2.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.28 0.00 81 K 8.70 5.09 0.00 1.62 1.73 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.45 7.81 82 G 8.95 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.17 4.83 0.00 1.28 1.08 0.56 1.05 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 84 P 0.00 4.29 0.00 2.35 2.34 0.00 3.68 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 2.31 2.30 0.00 85 H 8.34 4.23 0.00 2.54 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.14 3.32 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 0.92 0.00 0.00 0.52 0.00 0.00 87 I 7.73 3.52 1.53 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 1.63 0.92 0.15 0.00 0.00 88 Y 7.77 4.01 0.00 3.30 3.41 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 89 C 8.46 4.19 0.00 3.10 3.27 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 90 R 8.06 4.05 0.00 1.98 1.93 0.00 3.06 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 91 V 7.14 3.30 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 -0.64 0.00 0.00 0.52 0.00 0.00 92 W 7.50 4.87 0.00 3.47 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 4.05 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.05 0.00 94 W 7.97 4.83 0.00 3.44 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 95 P 0.00 4.45 0.00 2.05 2.12 0.00 3.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 96 D 7.98 4.72 0.00 2.78 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 97 L 7.95 3.90 0.00 1.90 1.68 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.78 4.13 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.34 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 99 S 7.21 4.46 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 8.51 4.15 0.00 3.23 3.35 0.00 5.46 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 0.00 101 H 7.47 4.25 0.00 3.12 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.10 4.56 0.00 2.04 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 103 L 7.65 5.28 0.00 1.65 1.61 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.00 4.97 0.00 1.71 1.71 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.39 7.81 105 P 0.00 4.79 0.00 2.03 2.06 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 106 L 8.51 4.29 0.00 1.55 1.60 1.04 0.83 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 0.00 107 E 8.79 3.99 0.00 1.91 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 0.00 2.30 2.34 0.00 108 C 7.88 4.14 0.00 2.99 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 0.00 109 C 7.52 4.15 0.00 2.75 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 0.00 110 E 8.63 4.14 0.00 1.74 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 1.94 1.72 0.00 111 F 7.47 5.00 0.00 3.22 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 0.00 112 P 0.00 4.78 0.00 2.27 1.94 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 113 F 9.47 4.27 0.00 2.71 3.07 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 0.00 114 G 8.39 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 0.00 115 S 8.08 4.20 0.00 4.04 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 0.00 116 K 7.31 3.58 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.18 1.46 7.81 117 Q 7.39 4.63 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 118 K 8.76 4.10 0.00 1.74 1.87 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.52 7.81 119 E 8.21 5.14 0.00 1.43 1.50 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 2.17 1.89 0.00 120 V 8.79 4.84 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 0.95 0.00 0.00 1.23 0.00 0.00 121 C 9.62 5.08 0.00 3.22 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 0.00 122 I 8.89 4.65 2.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.97 1.15 0.00 0.00 123 N 8.30 4.31 0.00 2.68 2.71 0.00 0.00 7.15 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 0.00 124 P 0.00 4.48 0.00 1.80 2.12 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.49 0.00 125 Y 8.50 4.65 0.00 3.15 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 0.00 126 H 8.60 4.99 0.00 3.29 3.04 0.00 5.57 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.03 5.48 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.62 4.99 0.00 1.82 2.00 0.00 1.33 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.38 7.81 129 R 8.24 4.40 0.00 0.67 1.09 0.00 2.21 0.00 0.00 2.68 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 0.00 130 V 8.33 4.49 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 0.71 0.00 0.00 0.90 0.00 0.00 131 E 8.54 4.42 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 132 S 8.24 4.27 0.00 3.86 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