NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4146 8.3044 120.3249 54.9806 34.3834 176.2789 2 S 4.1470 7.6083 117.7572 55.9641 60.9243 167.0065 3 V 4.0678 8.3211 122.5823 60.6040 31.8706 174.4685 4 N 4.6021 8.2734 124.2188 52.8254 39.3219 175.2615 5 S 4.3923 8.2968 115.6194 56.7689 65.0929 173.2781 6 N 4.5772 8.2043 124.4216 51.2282 37.6536 174.8446 7 A 3.7862 8.5026 129.2827 52.3608 17.8812 177.0577 8 Y 5.0105 8.1126 115.5964 58.0163 39.8036 176.5419 9 D 3.8198 8.5960 119.5886 55.6455 39.2293 177.4342 10 A 4.2470 8.2034 121.3469 53.8657 18.6732 177.7879 11 G 3.9674 9.2506 103.6895 44.4699 0.0000 174.6729 12 I 3.0417 7.5971 113.3660 63.6377 37.5905 177.0798 13 M 4.3832 7.9166 119.1845 55.4910 31.8262 176.1496 14 G 4.0925 7.5400 106.7170 46.9784 0.0000 174.5010 15 L 3.9309 7.9548 120.7419 55.8948 41.7780 177.7800 16 K 4.2110 7.7233 124.1141 57.8654 34.0274 178.3700 17 G 4.1338 7.7599 106.9532 46.1064 0.0000 173.8423 18 K 4.4746 7.3526 120.0630 54.3207 31.8416 174.6642 19 D 4.2336 7.8236 116.1210 51.8190 43.3973 175.2446 20 F 3.6845 7.9715 109.6032 58.2718 35.7481 174.7224 21 A 4.6206 7.7786 125.1995 53.6085 19.8776 177.5322 22 D 4.8090 7.9726 114.3239 54.2743 41.1590 176.2942 23 Q 4.5396 7.7247 112.6353 55.8732 31.1057 175.5496 24 F 4.6418 8.4234 117.2562 59.0921 39.7504 176.1232 25 F 4.7752 8.2421 120.1507 55.7419 41.6868 174.2366 26 A 4.5253 8.4286 132.2724 50.9069 16.5371 177.7516 27 D 4.6083 9.4175 120.3110 56.6377 39.5338 174.5204 28 E 3.5568 7.6143 119.1637 58.9996 29.4961 176.7991 29 N 4.2840 7.2014 109.4545 53.0968 42.1859 174.0387 30 Q 4.5906 8.6728 122.7230 54.1263 30.9365 175.7328 31 V 4.2182 8.0293 119.2624 60.4073 32.9637 175.7016 32 V 4.3194 8.1967 121.7522 60.1315 33.2445 174.6413 33 H 4.7556 8.6077 120.5219 55.2981 29.8529 174.7829 34 E 3.6671 8.4019 117.1141 57.3717 25.9608 173.8474 35 S 4.8220 8.0124 116.6872 56.4631 65.3327 173.3231 36 D 5.0305 8.4762 124.9512 54.5384 41.2236 176.7463 37 T 4.1595 7.7667 115.4083 63.5159 69.7340 174.9236 38 V 4.0142 8.8165 126.1155 62.4108 32.2167 174.9119 39 V 4.9701 7.7674 127.8584 60.9525 34.8901 174.2572 40 L 4.6872 7.6324 120.9048 55.3335 43.6873 173.1678 41 V 4.6668 8.3497 117.7428 59.2822 34.6943 174.4906 42 L 4.9027 8.2092 125.9470 52.6677 45.3595 175.6906 43 K 3.8898 8.8991 124.3706 57.2283 32.7477 177.3728 44 K 4.7384 9.0069 125.7060 55.2558 30.8627 175.1454 45 S 4.9307 8.1527 118.4697 55.0330 65.8005 174.2232 46 D 4.4950 8.7456 121.8246 56.6805 40.1924 178.7506 47 E 3.8982 8.0990 120.0492 59.2429 29.9793 178.2663 48 I 3.8845 7.9060 119.1942 64.4960 37.0976 177.6380 49 N 3.8762 8.4131 117.3922 57.6402 38.4532 176.9898 50 T 3.9857 7.6939 117.3293 65.4546 68.5349 176.5430 51 F 4.1697 8.2332 116.4322 60.4777 37.9511 177.5217 52 I 2.6927 7.0377 119.5716 63.0913 37.0514 177.2826 53 E 3.7695 7.3114 118.1697 60.2875 29.1292 178.1629 54 E 4.1562 8.8822 120.8459 56.2691 28.7578 180.1359 55 I 3.7289 7.8075 119.7963 64.2888 39.4544 177.1865 56 L 4.1187 7.8644 120.1370 57.6050 41.0310 179.4666 57 L 4.1647 7.8747 118.2107 58.2426 41.4053 179.3487 58 T 3.8993 8.8274 111.2973 64.6585 68.5906 175.9831 59 D 4.2708 8.1286 120.4382 56.4966 41.5589 178.3745 60 Y 3.8929 8.6064 117.3712 59.9440 37.5217 178.0509 61 K 4.0864 7.4900 118.9861 58.6125 32.7980 177.5991 62 K 3.9184 7.6262 118.9035 58.3901 32.2006 176.1779 63 N 4.3174 7.4999 112.7120 53.5219 39.2886 172.9857 64 V 4.0385 7.9453 131.2753 62.0453 34.1343 171.7149 65 N 4.3713 7.2956 114.2696 52.4471 42.6307 173.1570 66 P 4.6181 0.0000 0.0000 64.2384 33.8713 176.6182 67 T 3.8493 8.5813 115.6400 63.2194 65.6525 176.3942 68 V 3.2212 8.7998 115.3932 61.8046 30.9374 174.4093 69 N 4.7660 8.0121 121.4210 53.4778 38.9784 175.7787 70 V 4.9128 8.3172 121.5860 60.7554 34.1225 175.3105 71 E 4.5989 9.4508 121.5901 55.0379 33.5894 174.0418 72 D 4.6277 8.8454 125.5641 52.5339 41.8918 175.6232 73 R 4.1627 7.7213 123.3678 55.5820 29.1696 177.6143 74 A 3.9655 8.6708 129.2361 55.6269 18.2210 178.5033 75 G 4.0241 6.9789 99.1442 46.8947 0.0000 173.0406 76 Y 4.7038 6.6112 116.8148 57.2141 39.4527 174.8649 77 W 4.8755 8.7643 119.7976 55.9571 31.3882 176.0721 78 W 4.8185 9.8828 124.6321 55.4874 30.1602 175.3788 79 I 4.8178 8.2893 127.3564 59.9847 37.8552 175.2336 80 K 5.0457 9.2522 127.0286 54.5763 35.6566 175.5098 81 A 5.0894 9.3959 124.3862 50.4575 23.3064 174.3372 82 N 4.6740 9.1030 117.6146 52.7145 38.5573 174.2044 83 G 4.4821 10.2512 118.0855 43.2600 0.0000 172.9420 84 K 4.3201 6.8212 117.1480 55.4564 34.7974 173.7028 85 I 5.0589 8.1960 120.3173 59.5380 42.1869 173.8986 86 E 4.8692 9.6415 124.2811 55.0693 32.3824 174.5840 87 V 4.0609 8.1388 125.3447 61.2359 33.1375 174.8025 88 D 4.5521 8.2371 126.7843 53.0044 40.9751 175.6385 89 C 4.7639 9.2544 121.0572 59.9800 31.7459 173.1819 90 D 5.7269 8.4124 135.0000 56.0996 39.7352 178.3128 91 E 4.0926 7.0723 119.3342 58.8125 30.3190 178.5961 92 I 3.7474 7.7385 117.6309 64.5770 38.1936 177.9560 93 S 3.6648 8.2139 113.2549 61.7068 61.7451 176.1308 94 E 3.9505 7.6301 120.3394 59.2328 29.4037 178.5414 95 L 4.2949 7.7882 117.0143 55.8993 42.5324 176.6420 96 L 4.2410 8.4457 118.3562 54.3338 42.0625 175.9160 97 G 3.2145 7.5425 108.4793 45.6055 0.0000 173.7413 98 R 3.7276 7.3057 117.1556 56.5664 31.1712 177.0608 99 Q 3.6491 8.8850 117.2120 56.8356 26.4165 174.7936 100 F 4.4755 7.8779 120.7938 58.2096 40.4849 172.4902 101 N 5.0507 8.0718 118.4052 52.0596 40.9389 173.7459 102 V 3.9417 8.0598 115.4032 64.0365 33.0092 176.7172 103 Y 4.3657 7.7776 118.0524 58.0478 38.8907 175.4638 104 D 4.4419 7.4281 117.9396 58.0849 41.4236 177.3370 105 F 4.2782 7.8201 119.9259 58.4556 40.1932 175.0200 106 L 3.0632 7.8560 125.6323 54.9121 40.4332 175.6724 107 V 3.3963 7.1279 117.6077 63.5111 31.9501 176.4164 108 D 4.6926 7.0376 116.8481 52.8049 40.1603 174.6556 109 V 4.2106 7.1678 119.3449 62.1254 34.4380 174.1026 110 S 4.0792 8.4204 114.0023 60.6545 62.9246 174.9922 111 S 4.9056 7.0355 115.9002 58.7811 66.3816 176.9673 112 T 4.7642 7.3237 114.2707 61.0667 69.7924 170.4289 113 I 4.0634 8.6847 130.5341 62.1858 38.2233 173.8580 114 G 3.9181 8.5399 114.8306 43.8089 0.0000 171.9230 115 R 4.2526 9.2093 125.8385 55.8924 31.1598 174.7916 116 A 5.4724 8.8262 128.8318 50.4819 21.1195 175.2354 117 Y 4.9199 8.8065 120.8136 55.5552 41.0339 174.8219 118 T 4.9362 8.8333 118.2210 60.3647 69.2905 173.7967 119 L 4.6205 8.1463 126.6624 55.0166 44.5476 176.8761 120 G 3.9243 9.5818 114.9337 46.2138 0.0000 175.0479 121 N 4.8457 10.1307 116.8842 49.5488 39.4255 169.3938 122 K 4.7191 7.7359 128.5818 55.3732 34.7983 173.5169 123 F 5.1956 8.0915 121.5886 55.2267 40.5038 174.7525 124 T 4.6662 8.1197 112.0456 59.8329 71.4482 172.8895 125 I 5.0092 8.9657 126.3804 60.0041 39.6004 174.7609 126 T 4.7937 9.2666 122.5480 60.5747 69.7499 174.9414 127 S 4.8344 8.4712 117.2734 58.2569 64.4253 173.5596 128 E 4.3751 8.1980 118.0801 57.4212 31.3501 177.4929 129 L 3.5067 8.7123 115.5572 55.7563 40.4757 173.8573 130 M 2.9355 8.8085 112.8146 55.3890 29.8727 172.9173 131 G 3.7904 8.1540 112.7036 44.6327 0.0000 174.7557 132 L 4.2285 8.5504 126.5888 56.6897 42.2413 178.1337 133 D 4.9694 7.1993 118.6124 52.8915 40.1302 175.9281 134 R 4.2158 7.9118 119.6593 57.7247 31.1393 178.0718 135 K 4.4764 8.0180 114.3893 56.3785 34.0983 176.6799 136 L 4.7834 7.7469 117.5879 54.3714 41.9538 177.6473 137 E 4.0805 8.3445 120.9426 59.1734 29.5090 177.2729 138 D 4.7098 7.6670 115.0769 52.6052 44.1920 174.2209 139 Y 4.2427 8.3518 126.1723 57.3636 40.1450 172.5278 140 H 5.0259 8.1966 121.8143 54.4033 32.1436 173.2371 141 A 3.9843 8.3048 120.9590 53.0396 18.7928 176.1522 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 4.41 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 S 7.61 4.15 0.00 3.89 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 3 V 8.32 4.07 2.06 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 0.93 0.00 0.00 0.91 0.00 0.00 4 N 8.27 4.60 0.00 2.71 2.70 0.00 0.00 6.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.30 4.39 0.00 3.68 3.63 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 0.00 6 N 8.20 4.58 0.00 2.80 2.76 0.00 0.00 6.22 7.25 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 7 A 8.50 3.79 1.45 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 0.00 0.00 8 Y 8.11 5.01 0.00 2.90 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 9 D 8.60 3.82 0.00 2.85 2.84 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 10 A 8.20 4.25 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 11 G 9.25 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 12 I 7.60 3.04 1.80 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 1.41 0.56 0.91 0.00 0.00 13 M 7.92 4.38 0.00 2.01 2.10 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 2.56 2.52 0.00 14 G 7.54 4.09 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 0.00 0.00 0.00 15 L 7.95 3.93 0.00 1.18 1.31 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.72 4.21 0.00 1.80 1.86 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.37 7.81 17 G 7.76 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 0.00 0.00 0.00 0.00 18 K 7.35 4.47 0.00 1.78 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.44 7.81 19 D 7.82 4.23 0.00 2.46 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 0.00 0.00 0.00 0.00 20 F 7.97 3.68 0.00 3.05 2.96 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 0.00 0.00 0.00 21 A 7.78 4.62 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 22 D 7.97 4.81 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.72 4.54 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.61 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 24 F 8.42 4.64 0.00 3.14 2.95 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 25 F 8.24 4.78 0.00 3.05 2.97 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 26 A 8.43 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 9.42 4.61 0.00 3.01 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 28 E 7.61 3.56 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 29 N 7.20 4.28 0.00 2.57 2.76 0.00 0.00 7.06 7.75 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 30 Q 8.67 4.59 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 31 V 8.03 4.22 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 0.76 0.00 0.00 0.92 0.00 0.00 32 V 8.20 4.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 33 H 8.61 4.76 0.00 3.14 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.40 3.67 0.00 2.05 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 2.26 2.29 0.00 35 S 8.01 4.82 0.00 3.81 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 36 D 8.48 5.03 0.00 2.72 2.76 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 0.00 0.00 0.00 37 T 7.77 4.16 4.28 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 1.32 0.00 0.00 38 V 8.82 4.01 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 0.81 0.00 0.00 1.01 0.00 0.00 39 V 7.77 4.97 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 0.76 0.00 0.00 0.94 0.00 0.00 40 L 7.63 4.69 0.00 1.70 1.72 1.26 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.35 4.67 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 0.42 0.00 0.00 0.70 0.00 0.00 42 L 8.21 4.90 0.00 1.75 1.68 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.90 3.89 0.00 1.72 1.82 0.00 1.62 0.00 0.00 1.13 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.34 7.81 44 K 9.01 4.74 0.00 1.52 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 0.99 7.81 45 S 8.15 4.93 0.00 3.95 3.76 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 0.00 0.00 0.00 46 D 8.75 4.50 0.00 2.77 2.76 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 0.00 0.00 0.00 47 E 8.10 3.90 0.00 2.08 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 2.58 2.51 0.00 48 I 7.91 3.88 2.19 0.00 0.00 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 2.01 0.66 0.44 0.00 0.00 49 N 8.41 3.88 0.00 2.97 2.93 0.00 0.00 7.57 8.31 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 50 T 7.69 3.99 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 1.26 0.00 0.00 51 F 8.23 4.17 0.00 3.13 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.04 2.69 1.03 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.69 0.17 0.00 0.00 53 E 7.31 3.77 0.00 2.08 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 0.00 2.43 2.30 0.00 54 E 8.88 4.16 0.00 2.18 1.88 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 2.33 2.35 0.00 55 I 7.81 3.73 2.21 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.79 0.00 0.00 56 L 7.86 4.12 0.00 1.84 1.48 0.43 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.87 4.16 0.00 1.83 1.70 0.87 0.59 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 58 T 8.83 3.90 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 1.19 0.00 0.00 59 D 8.13 4.27 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.61 3.89 0.00 3.17 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.49 4.09 0.00 1.82 1.86 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.48 7.81 62 K 7.63 3.92 0.00 1.98 1.77 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.37 7.81 63 N 7.50 4.32 0.00 2.76 2.75 0.00 0.00 6.83 7.14 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 64 V 7.95 4.04 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 -0.59 0.00 0.00 0.63 0.00 0.00 65 N 7.30 4.37 0.00 2.77 2.82 0.00 0.00 7.34 7.91 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 66 P 0.00 4.62 0.00 2.20 2.19 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 67 T 8.58 3.85 4.50 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 1.30 0.00 0.00 68 V 8.80 3.22 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -0.07 0.00 0.00 69 N 8.01 4.77 0.00 2.92 3.00 0.00 0.00 6.76 7.88 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 70 V 8.32 4.91 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 0.96 0.00 0.00 1.16 0.00 0.00 71 E 9.45 4.60 0.00 2.17 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 72 D 8.85 4.63 0.00 2.53 2.38 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 73 R 7.72 4.16 0.00 1.37 0.66 0.00 2.74 0.00 0.00 2.65 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 74 A 8.67 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 6.98 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 76 Y 6.61 4.70 0.00 3.14 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 77 W 8.76 4.88 0.00 3.45 3.23 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 78 W 9.88 4.82 0.00 3.36 3.28 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 79 I 8.29 4.82 1.91 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 1.70 1.13 0.84 0.00 0.00 80 K 9.25 5.05 0.00 1.86 1.72 0.00 1.90 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.41 7.81 81 A 9.40 5.09 1.24 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 82 N 9.10 4.67 0.00 2.75 2.85 0.00 0.00 7.10 7.89 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 83 G 10.25 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.82 4.32 0.00 1.88 1.80 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.27 7.81 85 I 8.20 5.06 2.04 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 1.38 1.50 0.98 0.00 0.00 86 E 9.64 4.87 0.00 1.83 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 0.00 2.02 2.00 0.00 87 V 8.14 4.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.43 0.00 0.00 88 D 8.24 4.55 0.00 2.61 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 89 C 9.25 4.76 0.00 3.48 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 90 D 8.41 5.73 0.00 2.81 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 91 E 7.07 4.09 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 92 I 7.74 3.75 1.77 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.95 0.83 0.00 0.00 93 S 8.21 3.66 0.00 4.05 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 94 E 7.63 3.95 0.00 2.29 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 2.34 2.56 0.00 95 L 7.79 4.29 0.00 1.63 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.45 4.24 0.00 1.50 1.28 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.54 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 0.00 0.00 0.00 98 R 7.31 3.73 0.00 1.95 2.07 0.00 3.32 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 99 Q 8.88 3.65 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 100 F 7.88 4.48 0.00 2.96 3.03 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 0.00 101 N 8.07 5.05 0.00 2.73 2.66 0.00 0.00 6.69 7.02 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 0.00 102 V 8.06 3.94 2.13 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 0.88 0.00 0.00 0.62 0.00 0.00 103 Y 7.78 4.37 0.00 2.73 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 0.00 104 D 7.43 4.44 0.00 2.78 2.84 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 0.00 105 F 7.82 4.28 0.00 3.04 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 0.00 106 L 7.86 3.06 0.00 0.27 0.94 0.89 0.73 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 0.00 107 V 7.13 3.40 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 0.76 0.00 0.00 0.85 0.00 0.00 108 D 7.04 4.69 0.00 2.68 2.62 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 0.00 109 V 7.17 4.21 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 0.89 0.00 0.00 0.79 0.00 0.00 110 S 8.42 4.08 0.00 3.71 3.79 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 0.00 0.00 0.00 111 S 7.04 4.91 0.00 3.85 3.57 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 0.00 112 T 7.32 4.76 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 0.80 0.00 0.00 113 I 8.68 4.06 1.94 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 1.10 1.12 0.91 0.00 0.00 114 G 8.54 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 0.00 0.00 0.00 115 R 9.21 4.25 0.00 1.96 1.94 0.00 3.14 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 116 A 8.83 5.47 1.45 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 0.00 0.00 117 Y 8.81 4.92 0.00 3.06 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 0.00 118 T 8.83 4.94 4.37 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 1.17 0.00 0.00 119 L 8.15 4.62 0.00 1.82 1.81 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 G 9.58 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 0.00 0.00 0.00 121 N 10.13 4.85 0.00 2.64 2.70 0.00 0.00 6.86 6.78 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 0.00 122 K 7.74 4.72 0.00 1.94 1.76 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.16 1.07 7.81 123 F 8.09 5.20 0.00 3.07 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 0.00 124 T 8.12 4.67 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 1.10 0.00 0.00 125 I 8.97 5.01 2.04 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 1.71 0.81 1.15 0.00 0.00 126 T 9.27 4.79 4.38 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 1.42 0.00 0.00 127 S 8.47 4.83 0.00 3.85 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 0.00 128 E 8.20 4.38 0.00 2.17 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 2.24 2.41 0.00 129 L 8.71 3.51 0.00 1.79 1.76 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 M 8.81 2.94 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 131 G 8.15 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.55 4.23 0.00 1.64 1.77 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.20 4.97 0.00 2.83 2.62 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 0.00 134 R 7.91 4.22 0.00 1.82 2.00 0.00 3.35 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 135 K 8.02 4.48 0.00 1.75 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.44 7.81 136 L 7.75 4.78 0.00 1.68 1.67 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.34 4.08 0.00 1.98 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 2.39 2.46 0.00 138 D 7.67 4.71 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.35 4.24 0.00 2.97 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 0.00 140 H 8.20 5.03 0.00 3.25 3.23 0.00 5.64 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 0.00 141 A 8.30 3.98 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