NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3841 8.1233 123.5867 52.3594 20.9786 179.0830 10 N 4.2911 8.1076 113.0347 56.1129 38.7347 175.9970 11 S 4.1166 8.8927 117.2365 61.7989 63.1889 176.6993 12 T 3.8747 7.7857 117.9650 66.5866 68.3321 176.5579 13 V 3.2643 7.2209 118.6046 65.9445 31.4324 177.7003 14 L 3.7961 8.4074 118.8145 58.0494 41.5064 179.3855 15 S 4.0964 8.2201 112.8517 61.5336 61.9991 175.9168 16 F 4.4444 8.1513 122.0073 61.9097 39.6289 176.7172 17 C 3.9439 8.3873 116.0550 62.1920 27.6070 175.6709 18 A 3.6811 8.1495 122.4651 55.1835 17.9617 179.0907 19 F 4.4842 7.1030 110.3159 56.8882 39.6424 176.4068 20 A 4.1053 6.9763 122.6383 52.0441 18.6778 178.8980 21 V 3.7922 8.1478 112.6261 62.8363 32.3724 177.1657 22 D 4.7831 7.5775 119.3637 50.8006 42.3166 173.0537 23 P 4.1837 0.0000 0.0000 65.3535 31.7979 177.5527 24 A 3.9483 8.0009 118.7046 55.1786 18.3094 179.5043 25 K 3.9460 8.4529 117.9162 59.2963 32.2219 178.8209 26 A 4.0522 8.1789 121.2984 55.4838 18.2695 178.9304 27 Y 4.2379 8.1422 117.9271 60.6800 38.6134 177.9914 28 K 3.7445 7.7490 119.3180 59.7718 32.5332 178.1671 29 D 4.4612 8.4059 118.9995 57.4906 40.8019 177.7342 30 Y 4.1479 8.4783 120.5743 61.1645 38.5528 178.5843 31 L 3.6988 8.0368 119.2897 57.5669 41.4464 179.2502 32 A 4.0535 7.8705 119.4486 53.9221 18.3141 178.4359 33 S 4.6711 7.5911 112.6766 58.0663 64.3070 174.1728 34 G 3.7709 7.5420 108.0273 46.3590 0.0000 175.2706 35 G 2.3871 7.2988 107.8733 44.2048 0.0000 174.0926 36 Q 4.1310 8.2756 123.2835 54.4464 29.6062 174.2837 37 P 4.6627 0.0000 0.0000 62.5539 32.0742 176.2196 38 I 4.0612 8.5126 122.5659 61.7328 37.4283 175.6535 39 T 4.6585 8.8410 114.1584 60.5591 71.5390 173.0336 40 N 4.5115 8.8965 115.0518 54.2043 35.0734 174.3192 41 C 4.5075 7.9867 115.2763 59.0226 29.4455 174.2443 42 V 4.0030 8.1731 117.3395 61.4246 32.4076 175.2984 43 K 4.7698 8.5479 122.6652 54.8815 34.6846 175.3566 44 M 4.4123 8.7987 123.7143 53.7609 33.6230 176.0701 45 L 4.1369 8.4088 125.5180 54.3845 41.8469 175.1977 46 C 4.8472 7.9854 119.9782 56.2840 31.6867 174.1400 47 T 4.0144 8.2639 108.3484 62.5066 68.7090 174.7351 48 H 4.3730 8.0539 118.0718 57.4085 26.1478 174.7113 49 T 4.6155 7.3617 106.3474 61.3106 69.1764 174.7498 50 G 3.9059 7.7877 112.7279 45.9161 0.0000 174.0229 51 T 4.0314 8.3273 108.6340 61.7730 69.1559 175.7424 52 G 4.4401 8.1905 110.1070 45.9672 0.0000 174.1116 53 Q 4.0337 7.6470 117.7859 55.3358 29.3555 176.0062 54 A 3.6612 8.0731 123.3186 54.6554 18.7266 177.4176 55 I 4.9900 7.3561 116.4182 59.7755 40.0733 174.5168 56 T 4.7810 8.7275 116.6493 59.6816 72.0026 175.6009 57 V 3.8633 8.5962 114.8720 63.5475 32.0174 176.7116 58 T 4.5686 7.5160 107.6386 58.4706 71.6982 171.6069 59 P 3.9749 0.0000 0.0000 63.7511 31.6557 175.9627 60 E 4.5833 9.9653 121.3626 55.5814 31.0224 175.6645 61 A 4.3477 7.6421 123.1166 52.7491 18.9205 178.0247 62 N 5.2539 8.4341 118.2664 51.4462 40.0368 174.9083 63 M 4.0552 8.6085 116.2536 58.6419 32.6770 177.3461 64 D 4.6655 8.9773 117.5214 54.7780 41.7476 175.1090 65 Q 5.1870 7.8852 117.8353 54.1217 33.3489 173.7707 66 E 4.9629 8.9425 117.4910 55.2609 34.3345 175.0649 67 S 5.1813 8.4177 119.1414 57.4536 64.9751 173.3007 68 F 5.2895 9.4498 122.9412 55.1592 43.3225 174.8202 69 G 3.9671 9.1787 108.3180 46.2846 0.0000 174.9448 70 G 4.0553 8.9811 114.7820 47.9769 0.0000 174.6831 71 A 4.0968 7.9576 122.5902 54.6320 18.3063 179.6825 72 S 4.2257 8.2124 112.5541 61.3187 63.2350 175.7493 73 C 4.4684 7.5500 115.8221 59.4152 28.3152 172.3281 74 C 4.5845 7.5351 121.9939 55.4768 44.6296 173.4402 75 L 3.5779 8.5132 129.6183 58.4847 41.6098 178.4488 76 Y 3.8779 7.3622 115.8341 61.3018 37.7134 178.8366 77 C 4.2622 8.1203 115.6290 60.1657 40.3395 175.9984 78 R 3.7932 8.0752 119.0760 58.2799 29.7475 177.6588 79 C 4.2023 7.6628 113.9417 58.2946 29.6875 173.0802 80 H 4.1027 7.7095 116.8004 56.4191 26.0097 173.5770 81 I 4.6016 6.9902 110.0581 58.9962 41.0234 174.8941 82 D 4.2403 8.3213 121.3617 54.4050 41.5242 175.1611 83 H 4.3355 7.6379 116.0604 53.4600 31.7558 172.4782 84 P 4.3877 0.0000 0.0000 63.4317 32.4137 176.7442 85 N 3.5397 7.9930 111.0305 57.7985 38.1363 175.1071 *89 F 4.5093 8.3164 118.5384 57.1984 40.5769 174.6363 90 C 4.0467 8.3662 117.2117 58.7096 29.1932 175.9949 91 D 4.8617 8.7518 126.9162 53.2103 38.5306 176.8412 92 L 4.5096 9.5024 119.2305 57.2097 43.8530 177.1689 93 K 3.8528 8.0443 117.3367 58.3585 32.1737 176.5377 94 G 3.9073 8.9710 114.0779 44.9930 0.0000 172.3354 95 K 4.5501 8.0043 119.1511 54.6193 36.0381 174.0176 96 Y 5.1644 8.7455 117.5868 56.7935 41.4758 175.0918 97 V 4.9200 8.8490 124.4336 61.6907 33.4683 174.3836 98 Q 5.1638 9.0633 127.9037 55.0227 30.0103 175.3501 99 I 4.3772 8.8971 124.5723 58.3668 41.2670 173.3666 100 P 4.7322 0.0000 0.0000 63.3720 31.5857 177.8200 101 T 3.9928 8.8732 120.2662 66.6177 68.0885 177.3256 102 T 4.0529 7.9495 110.8733 64.0333 69.2118 175.2411 103 C 4.5292 7.7177 116.9943 59.2319 28.6678 174.9952 104 A 3.9845 7.3411 122.1166 54.4008 18.0712 178.6571 105 N 4.5839 7.9813 113.8167 54.1514 39.2482 174.9309 106 D 4.7449 8.1507 120.9133 50.9822 42.0643 173.0908 107 P 3.9018 0.0000 0.0000 65.6879 31.9074 178.0171 108 V 3.9594 7.1853 117.5064 65.5281 31.4259 177.8005 109 G 4.5204 8.4351 105.9942 47.2386 0.0000 174.8909 110 F 3.7207 8.5477 123.2741 61.3136 39.2149 177.2826 111 T 3.8493 7.6079 107.6579 64.7716 68.3841 176.0819 112 L 4.1563 7.4544 120.5771 57.6960 41.9163 178.9902 113 R 4.2112 8.0342 114.3467 55.9771 30.2178 175.5300 114 N 4.9602 7.0817 115.3628 51.4516 42.5302 173.4452 115 T 4.9356 8.1787 114.5898 61.9552 72.4186 173.5064 116 V 4.1240 8.5775 125.6954 62.1849 32.9377 174.8397 117 C 4.4359 8.9641 129.2805 59.0152 31.6230 174.2955 118 T 3.9767 8.7825 117.7392 64.6528 68.6277 175.7511 119 V 3.7578 7.8960 121.1837 64.9552 32.0574 176.0313 120 C 4.5388 7.9870 111.7535 56.9626 30.9245 174.9830 121 G 3.7672 8.8280 109.2392 46.2086 0.0000 173.2006 122 M 4.6659 7.1434 118.3471 52.5520 34.4861 175.5864 123 W 4.9886 8.4066 120.3194 57.0529 29.8032 176.1469 124 K 4.3815 9.1210 123.5348 57.7414 31.8418 177.9439 125 G 3.9496 9.3962 111.5948 45.9687 0.0000 172.6877 126 Y 4.8490 8.5504 116.3361 56.5396 38.7750 174.2926 127 G 3.6743 8.8289 112.6873 45.9671 0.0000 173.9254 128 C 3.8805 8.1982 119.6640 60.9495 31.9558 173.5317 129 S 4.0934 8.7448 120.6199 59.2509 62.6110 172.1447 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 9 A 8.12 4.38 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 10 N 8.11 4.29 0.00 2.83 2.84 0.00 0.00 7.09 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.89 4.12 0.00 3.87 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 12 T 7.79 3.87 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 1.23 0.00 0.00 13 V 7.22 3.26 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 0.52 0.00 0.00 0.82 0.00 0.00 14 L 8.41 3.80 0.00 1.62 1.59 0.84 0.81 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 15 S 8.22 4.10 0.00 4.05 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.15 4.44 0.00 3.07 3.31 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 17 C 8.39 3.94 0.00 2.83 2.79 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 18 A 8.15 3.68 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.10 4.48 0.00 3.04 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 20 A 6.98 4.11 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.15 3.79 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 0.70 0.00 0.00 0.92 0.00 0.00 22 D 7.58 4.78 0.00 2.68 2.48 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 23 P 0.00 4.18 0.00 2.11 2.02 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 24 A 8.00 3.95 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 25 K 8.45 3.95 0.00 2.01 1.97 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.47 7.81 26 A 8.18 4.05 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 27 Y 8.14 4.24 0.00 3.00 3.13 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 28 K 7.75 3.74 0.00 1.94 2.02 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 29 D 8.41 4.46 0.00 2.99 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 30 Y 8.48 4.15 0.00 3.17 3.18 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 31 L 8.04 3.70 0.00 1.70 1.51 0.52 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.87 4.05 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 33 S 7.59 4.67 0.00 3.78 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 34 G 7.54 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 35 G 7.30 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.28 4.13 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 37 P 0.00 4.66 0.00 2.14 2.28 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 38 I 8.51 4.06 1.79 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.88 0.00 0.00 39 T 8.84 4.66 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 1.27 0.00 0.00 40 N 8.90 4.51 0.00 2.88 3.17 0.00 0.00 6.86 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 41 C 7.99 4.51 0.00 3.14 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 42 V 8.17 4.00 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 0.76 0.00 0.00 1.05 0.00 0.00 43 K 8.55 4.77 0.00 1.49 1.45 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.26 7.81 44 M 8.80 4.41 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 45 L 8.41 4.14 0.00 1.54 1.55 0.89 0.85 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 46 C 7.99 4.85 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.26 4.01 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 1.18 0.00 0.00 48 H 8.05 4.37 0.00 3.32 3.49 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.36 4.62 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 1.27 0.00 0.00 50 G 7.79 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.33 4.03 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 1.24 0.00 0.00 52 G 8.19 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.65 4.03 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 54 A 8.07 3.66 -0.13 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 55 I 7.36 4.99 1.78 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 0.96 0.00 0.00 56 T 8.73 4.78 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 1.21 0.00 0.00 57 V 8.60 3.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 58 T 7.52 4.57 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 1.24 0.00 0.00 59 P 0.00 3.97 0.00 1.80 1.82 0.00 3.18 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.00 60 E 9.97 4.58 0.00 2.05 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 2.48 2.35 0.00 61 A 7.64 4.35 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 62 N 8.43 5.25 0.00 2.98 3.02 0.00 0.00 5.81 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 63 M 8.61 4.06 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 64 D 8.98 4.67 0.00 2.84 2.73 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 65 Q 7.89 5.19 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 66 E 8.94 4.96 0.00 1.93 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 2.20 2.30 0.00 67 S 8.42 5.18 0.00 3.65 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 68 F 9.45 5.29 0.00 3.01 3.05 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 69 G 9.18 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 70 G 8.98 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 71 A 7.96 4.10 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 72 S 8.21 4.23 0.00 4.06 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 73 C 7.55 4.47 0.00 3.01 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 74 C 7.54 4.58 0.00 2.91 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 75 L 8.51 3.58 0.00 1.36 1.06 0.34 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.36 3.88 0.00 2.93 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 77 C 8.12 4.26 0.00 3.08 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 78 R 8.08 3.79 0.00 1.67 1.80 0.00 3.21 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 79 C 7.66 4.20 0.00 2.75 2.73 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 80 H 7.71 4.10 0.00 3.26 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 6.99 4.60 1.84 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 1.58 0.74 0.82 0.00 0.00 82 D 8.32 4.24 0.00 2.55 2.46 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 83 H 7.64 4.34 0.00 2.82 2.66 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.39 0.00 2.06 1.98 0.00 2.69 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 85 N 7.99 3.54 0.00 2.69 2.73 0.00 0.00 6.94 7.45 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 *89 F 8.32 4.51 0.00 2.97 3.11 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 90 C 8.37 4.05 0.00 3.08 2.90 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 91 D 8.75 4.86 0.00 2.82 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 92 L 9.50 4.51 0.00 1.71 1.82 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.04 3.85 0.00 1.78 1.86 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.50 7.81 94 G 8.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.00 4.55 0.00 1.69 1.95 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.35 7.81 96 Y 8.75 5.16 0.00 2.95 2.87 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 97 V 8.85 4.92 2.30 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 1.49 0.00 0.00 1.07 0.00 0.00 98 Q 9.06 5.16 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.37 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 99 I 8.90 4.38 1.92 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.08 0.14 0.00 0.00 100 P 0.00 4.73 0.00 1.85 2.06 0.00 2.23 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.13 0.00 101 T 8.87 3.99 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 1.26 0.00 0.00 102 T 7.95 4.05 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 1.26 0.00 0.00 103 C 7.72 4.53 0.00 2.54 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.34 3.98 1.49 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 0.00 0.00 105 N 7.98 4.58 0.00 2.88 2.97 0.00 0.00 5.76 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.15 4.74 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.90 0.00 1.85 1.21 0.00 3.53 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 108 V 7.19 3.96 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 0.94 0.00 0.00 0.80 0.00 0.00 109 G 8.44 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.55 3.72 0.00 3.04 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 0.00 111 T 7.61 3.85 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 1.45 0.00 0.00 112 L 7.45 4.16 0.00 1.90 1.79 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.03 4.21 0.00 1.51 1.82 0.00 3.03 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 114 N 7.08 4.96 0.00 1.45 2.04 0.00 0.00 6.69 8.87 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 0.00 115 T 8.18 4.94 4.35 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 1.30 0.00 0.00 116 V 8.58 4.12 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 0.54 0.00 0.00 0.20 0.00 0.00 117 C 8.96 4.44 0.00 3.11 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 0.00 118 T 8.78 3.98 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 119 V 7.90 3.76 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 0.84 0.00 0.00 0.94 0.00 0.00 120 C 7.99 4.54 0.00 3.12 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 0.00 121 G 8.83 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 0.00 122 M 7.14 4.67 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 123 W 8.41 4.99 0.00 3.65 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 9.12 4.38 0.00 2.09 1.88 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 125 G 9.40 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 0.00 126 Y 8.55 4.85 0.00 3.24 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 0.00 127 G 8.83 3.67 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 0.00 0.00 0.00 128 C 8.20 3.88 0.00 3.21 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 0.00 129 S 8.74 4.09 0.00 4.06 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.