NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8648 8.3544 109.7364 45.3973 0.0000 174.0793 2 S 4.1185 8.4676 119.5460 55.4135 64.1431 172.5379 3 S 4.7245 8.6976 122.7488 56.6610 65.9662 172.8780 4 G 4.1990 7.8033 109.0564 43.7180 0.0000 172.6447 5 S 4.5418 7.9610 113.9518 57.7663 64.9282 175.5694 6 S 4.8004 9.6571 118.0498 56.0812 65.3973 173.6357 7 G 4.3751 7.4767 114.0735 45.7354 0.0000 171.4455 8 T 4.6141 7.6380 113.8858 60.4723 70.6076 172.6730 9 L 4.5759 7.9414 124.0893 52.9818 43.2249 176.3552 10 A 4.2347 8.4189 121.6825 51.0553 21.8062 175.6362 11 Q 3.9599 9.0524 121.7179 55.9606 28.7521 175.4322 12 P 4.4409 0.0000 0.0000 62.5695 32.2642 175.4625 13 V 4.2076 8.0910 117.8738 61.3593 32.8259 174.5873 14 T 4.4993 8.3901 124.5271 62.1436 69.3447 174.4512 15 I 4.5359 7.9918 126.1251 59.6144 41.3214 174.9892 16 R 3.9790 8.5881 123.6200 56.7647 30.5136 175.5426 17 E 4.7081 8.3098 120.9826 54.1455 32.0482 175.7292 18 I 3.9832 8.0373 124.2552 61.1887 38.1357 176.3022 19 A 4.2088 8.5864 126.6948 54.5995 19.1066 177.7468 20 E 4.8336 7.6966 115.9578 53.9124 33.3236 172.7707 21 P 4.8520 0.0000 0.0000 61.8770 32.9850 173.7180 22 P 4.7720 0.0000 0.0000 63.0501 32.3875 175.7907 23 K 4.6009 8.7420 123.7580 55.3786 35.6868 174.9532 24 I 4.4010 8.4375 129.5226 60.0252 36.9433 175.2422 25 R 4.1089 8.4988 125.6178 55.9347 30.0143 176.1198 26 L 4.4018 8.2896 125.0163 52.4737 42.8225 175.6389 27 P 4.4708 0.0000 0.0000 62.1671 31.7873 177.2362 28 R 3.9878 8.3308 118.6039 59.0679 30.1719 177.4868 29 H 4.6180 7.9676 111.3007 56.7202 29.3358 175.4779 30 L 4.6004 7.4520 119.3500 55.1322 42.7804 177.1396 31 R 4.5580 7.4205 116.8366 55.7694 30.1012 176.1097 32 Q 4.5172 8.0609 113.1807 55.0739 31.3961 173.2392 33 T 3.7243 8.6355 117.6878 63.2882 68.0861 173.1562 34 Y 4.3148 8.6770 129.0957 57.9087 39.1499 174.3922 35 I 4.4866 7.9277 127.7995 60.6640 38.2168 175.6051 36 R 4.5899 8.6225 124.8797 54.7119 33.9483 174.3270 37 K 5.4908 8.2246 118.9690 54.2313 34.8598 176.3006 38 V 4.5051 7.5885 121.3928 63.6988 31.8451 174.8170 39 G 4.2967 9.0363 116.0542 45.6152 0.0000 173.7274 40 E 4.2322 7.1536 116.1608 56.6472 30.9071 176.5022 41 Q 4.7581 8.2913 120.1258 54.5173 30.0492 175.7532 42 L 4.4136 7.8030 123.2977 54.2912 43.7913 175.8432 43 N 5.0434 8.6087 120.8896 52.7152 41.3046 173.2767 44 L 4.6792 9.2915 127.4287 52.9226 45.0669 176.0564 45 V 4.6584 8.7020 124.4672 61.2808 32.4112 174.5834 46 V 4.4112 8.2862 128.7571 60.2380 32.5145 172.8733 47 P 4.6820 0.0000 0.0000 62.5739 32.5906 175.2535 48 F 5.3796 7.8293 116.7569 55.3290 40.8968 173.9887 49 Q 4.7097 10.7000 120.4637 54.0011 32.0097 174.8475 50 G 4.7250 6.9658 107.7809 43.9701 0.0000 172.3965 51 K 4.6114 7.9895 118.9168 54.5010 36.4631 175.1393 52 P 4.2944 0.0000 0.0000 65.4077 31.3736 177.0121 53 R 4.4037 7.5304 121.4599 52.6303 30.6771 171.3358 54 P 4.5082 0.0000 0.0000 62.3120 32.1778 176.3212 55 Q 4.0702 9.0459 126.4918 55.8197 30.6301 174.7876 56 V 4.0773 8.0167 123.4026 61.0483 33.8418 174.5430 57 V 4.3856 8.3830 128.7018 60.8757 33.8165 174.2881 58 W 5.2164 8.6737 126.6383 55.0944 32.3130 174.4815 59 T 4.6851 8.9419 113.8737 60.1056 72.1903 172.8354 60 K 4.4769 8.6304 125.8782 53.1738 31.0025 174.8207 61 G 4.0726 8.2548 111.5160 43.0750 0.0000 173.0532 62 G 4.9836 7.0195 119.3853 46.2390 0.0000 172.0458 63 A 4.7507 7.0427 123.1806 49.2165 21.3105 174.2611 64 P 4.9537 0.0000 0.0000 61.5430 31.9862 176.4533 65 L 4.0192 8.4357 119.8242 55.2076 42.0405 178.1957 66 D 4.3686 8.9649 122.3667 56.0793 40.9023 176.8449 67 T 3.6471 7.2879 107.1357 62.6773 68.3400 173.2247 68 S 4.6094 8.3301 115.8048 59.8382 65.1232 174.5765 69 R 4.5127 7.9542 114.0662 55.5171 31.1978 175.6745 70 V 4.0582 7.6967 118.3677 62.3646 32.7630 175.1302 71 H 4.6652 8.6309 127.0105 54.7449 30.8843 172.9012 72 V 4.4692 8.2448 125.9238 61.4235 32.6005 175.3131 73 R 4.4928 8.5584 130.7242 55.2432 30.5798 174.1174 74 T 4.6952 8.3991 122.3498 62.2537 69.8631 174.2502 75 S 4.8231 9.0558 121.2563 56.2798 64.8537 174.3565 76 D 4.3921 8.7396 126.9336 57.7064 41.1682 178.1244 77 F 4.2215 7.3825 116.6277 59.6656 39.3541 174.5883 78 D 3.9086 8.0997 118.0637 52.1676 42.9205 173.3753 79 T 5.1429 8.5400 113.6174 61.0662 70.0106 173.4027 80 V 4.9955 8.5456 124.6936 61.2228 35.4201 173.6051 81 F 5.0433 9.4789 129.8732 56.4281 42.1315 173.6281 82 F 5.2988 7.7690 126.0002 56.2994 43.5020 173.0411 83 V 3.8819 5.9300 121.3019 61.0423 34.4503 174.9848 84 R 3.8337 8.7985 128.9779 58.9397 30.0087 176.0114 85 Q 4.9423 7.7540 112.8925 53.1849 31.4417 174.6462 86 A 4.3505 8.6068 126.0028 50.8981 18.4557 175.8030 87 A 4.3786 8.6936 122.9846 51.9895 19.0765 178.7040 88 R 3.8994 8.9886 120.0237 59.7174 30.5784 179.4419 89 S 4.1593 8.3227 112.6999 62.0800 63.0564 175.2972 90 D 4.5117 7.9541 118.9383 57.2477 40.6729 176.9247 91 S 4.3347 7.2426 112.9781 59.1312 63.4906 173.3335 92 G 4.0668 8.1281 118.1538 46.1775 0.0000 172.2076 93 E 5.4034 8.7231 125.2928 54.7020 33.2303 173.9019 94 Y 4.9580 9.5872 125.5648 56.5859 40.1221 174.1749 95 E 4.9145 9.3776 126.9649 54.5731 31.7183 174.1336 96 L 4.4533 8.5264 129.6479 53.2284 44.2385 175.0278 97 S 4.9269 8.2536 121.8351 56.7450 66.5970 173.1153 98 V 4.7925 8.1437 123.9279 60.6137 33.1604 174.1973 99 Q 4.6618 8.3893 129.2232 55.2207 30.5676 174.2333 100 I 4.7161 8.5438 125.5401 59.7536 41.6815 175.7068 101 E 3.7204 8.6867 120.9482 59.4862 29.7320 177.9542 102 N 5.0046 7.9148 114.6238 53.2405 40.1647 173.6620 103 M 4.9242 7.6402 115.1436 53.3618 35.9940 173.9406 104 K 5.0448 8.0306 119.5763 55.7287 35.3336 174.3095 105 D 5.1072 9.1557 124.3055 52.9302 45.6130 174.3758 106 T 4.8141 8.1436 108.7519 60.6096 72.3447 172.6106 107 A 4.5772 8.2303 121.0901 51.5189 23.0123 175.4759 108 T 5.1585 8.4902 115.8646 61.9454 72.1988 173.9396 109 I 4.6583 8.4736 124.1515 59.9493 41.8625 174.2857 110 R 4.8518 8.7212 126.0195 55.0297 31.9481 175.3194 111 I 4.9775 8.7365 124.3149 59.4284 40.9157 174.3873 112 R 4.7062 9.2928 127.3219 54.3920 33.0700 174.0286 113 V 4.8491 8.5291 125.5034 61.1628 33.9398 174.7757 114 V 4.6378 8.8421 121.2818 59.1058 34.8250 174.8425 115 E 4.5085 8.7869 123.5740 55.5598 30.1882 176.8812 116 K 3.8198 8.8391 122.6260 57.3114 32.9822 176.0258 117 A 4.5426 8.3053 123.3251 51.3754 20.2816 177.7154 118 G 3.7261 8.2257 107.8159 45.8971 0.0000 172.7297 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 G 8.35 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 0.00 0.00 0.00 2 S 8.47 4.12 0.00 3.86 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 3 S 8.70 4.72 0.00 4.01 3.85 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 4 G 7.80 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 0.00 0.00 0.00 5 S 7.96 4.54 0.00 3.92 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 6 S 9.66 4.80 0.00 3.85 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 7 G 7.48 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 0.00 0.00 0.00 0.00 8 T 7.64 4.61 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 9 L 7.94 4.58 0.00 1.65 1.57 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.42 4.23 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 11 Q 9.05 3.96 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 12 P 0.00 4.44 0.00 2.20 2.11 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 13 V 8.09 4.21 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 0.86 0.00 0.00 0.93 0.00 0.00 14 T 8.39 4.50 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 15 I 7.99 4.54 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 0.32 0.91 0.00 0.00 16 R 8.59 3.98 0.00 1.77 1.88 0.00 3.21 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 17 E 8.31 4.71 0.00 1.89 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 2.19 2.29 0.00 18 I 8.04 3.98 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 1.34 0.64 0.99 0.00 0.00 19 A 8.59 4.21 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 20 E 7.70 4.83 0.00 2.02 1.74 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 2.29 2.32 0.00 21 P 0.00 4.85 0.00 2.16 2.16 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 22 P 0.00 4.77 0.00 2.07 2.07 0.00 3.75 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 2.16 1.94 0.00 23 K 8.74 4.60 0.00 1.90 1.68 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.32 7.81 24 I 8.44 4.40 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.89 0.00 0.00 25 R 8.50 4.11 0.00 1.85 1.93 0.00 3.32 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 26 L 8.29 4.40 0.00 1.63 1.59 0.92 1.12 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 27 P 0.00 4.47 0.00 1.57 2.10 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 28 R 8.33 3.99 0.00 1.87 1.98 0.00 3.18 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 29 H 7.97 4.62 0.00 3.40 3.50 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.45 4.60 0.00 1.77 1.69 0.95 1.11 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 31 R 7.42 4.56 0.00 1.98 1.95 0.00 3.20 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 32 Q 8.06 4.52 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 33 T 8.64 3.72 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 1.25 0.00 0.00 34 Y 8.68 4.31 0.00 3.18 2.92 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 35 I 7.93 4.49 1.76 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 1.54 0.91 0.85 0.00 0.00 36 R 8.62 4.59 0.00 1.61 1.68 0.00 3.15 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.57 0.00 37 K 8.22 5.49 0.00 1.66 1.68 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.21 7.81 38 V 7.59 4.51 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 0.61 0.00 0.00 1.01 0.00 0.00 39 G 9.04 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 0.00 0.00 0.00 0.00 40 E 7.15 4.23 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 2.31 2.42 0.00 41 Q 8.29 4.76 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 42 L 7.80 4.41 0.00 1.15 1.39 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.61 5.04 0.00 2.73 2.74 0.00 0.00 6.86 7.81 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 44 L 9.29 4.68 0.00 1.74 1.57 0.74 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.70 4.66 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 0.87 0.00 0.00 0.99 0.00 0.00 46 V 8.29 4.41 2.32 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 1.04 0.00 0.00 1.18 0.00 0.00 47 P 0.00 4.68 0.00 2.12 2.13 0.00 3.87 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 2.23 1.98 0.00 48 F 7.83 5.38 0.00 2.96 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 49 Q 10.70 4.71 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 50 G 6.97 4.73 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 51 K 7.99 4.61 0.00 1.81 1.68 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 52 P 0.00 4.29 0.00 2.17 2.17 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 53 R 7.53 4.40 0.00 1.72 1.83 0.00 3.39 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 54 P 0.00 4.51 0.00 2.07 2.09 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 55 Q 9.05 4.07 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 56 V 8.02 4.08 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 0.61 0.00 0.00 -0.11 0.00 0.00 57 V 8.38 4.39 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 0.95 0.00 0.00 0.84 0.00 0.00 58 W 8.67 5.22 0.00 3.31 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 59 T 8.94 4.69 4.21 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 1.19 0.00 0.00 60 K 8.63 4.48 0.00 1.06 1.49 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.14 1.07 7.81 61 G 8.25 4.07 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 0.00 0.00 0.00 62 G 7.02 4.98 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 63 A 7.04 4.75 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 64 P 0.00 4.95 0.00 2.20 2.08 0.00 3.38 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 1.98 1.94 0.00 65 L 8.44 4.02 0.00 1.76 1.67 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.96 4.37 0.00 2.66 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 67 T 7.29 3.65 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 1.28 0.00 0.00 68 S 8.33 4.61 0.00 3.96 4.08 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 69 R 7.95 4.51 0.00 1.92 2.07 0.00 3.05 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 70 V 7.70 4.06 2.17 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 1.08 0.00 0.00 1.05 0.00 0.00 71 H 8.63 4.67 0.00 3.56 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.24 4.47 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 0.93 0.00 0.00 0.97 0.00 0.00 73 R 8.56 4.49 0.00 2.00 1.88 0.00 3.23 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 74 T 8.40 4.70 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 1.41 0.00 0.00 75 S 9.06 4.82 0.00 3.96 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 76 D 8.74 4.39 0.00 2.43 1.95 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 77 F 7.38 4.22 0.00 3.02 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 78 D 8.10 3.91 0.00 2.57 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 79 T 8.54 5.14 4.75 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 1.81 0.00 0.00 80 V 8.55 5.00 2.32 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 1.03 0.00 0.00 1.03 0.00 0.00 81 F 9.48 5.04 0.00 2.45 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 82 F 7.77 5.30 0.00 2.97 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 5.93 3.88 1.62 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 0.69 0.00 0.00 0.59 0.00 0.00 84 R 8.80 3.83 0.00 1.86 1.92 0.00 3.26 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 85 Q 7.75 4.94 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.07 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 86 A 8.61 4.35 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 87 A 8.69 4.38 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 88 R 8.99 3.90 0.00 1.89 2.04 0.00 3.14 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 89 S 8.32 4.16 0.00 3.88 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 90 D 7.95 4.51 0.00 2.84 2.92 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 91 S 7.24 4.33 0.00 4.05 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 92 G 8.13 4.07 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 0.00 0.00 0.00 93 E 8.72 5.40 0.00 2.03 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 2.52 2.29 0.00 94 Y 9.59 4.96 0.00 2.92 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 95 E 9.38 4.91 0.00 2.10 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 2.35 2.20 0.00 96 L 8.53 4.45 0.00 1.02 1.07 0.51 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.25 4.93 0.00 3.67 3.69 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 0.00 0.00 0.00 0.00 98 V 8.14 4.79 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 1.30 0.00 0.00 0.71 0.00 0.00 99 Q 8.39 4.66 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 100 I 8.54 4.72 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.97 0.90 0.00 0.00 101 E 8.69 3.72 0.00 1.95 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 2.31 2.29 0.00 102 N 7.91 5.00 0.00 2.59 2.71 0.00 0.00 6.72 7.64 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 0.00 103 M 7.64 4.92 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 104 K 8.03 5.04 0.00 1.68 1.58 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.36 7.81 105 D 9.16 5.11 0.00 2.58 2.42 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 0.00 106 T 8.14 4.81 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 1.15 0.00 0.00 107 A 8.23 4.58 1.17 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 0.00 0.00 108 T 8.49 5.16 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 1.33 0.00 0.00 109 I 8.47 4.66 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 0.87 0.00 0.00 110 R 8.72 4.85 0.00 1.82 1.90 0.00 3.09 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 111 I 8.74 4.98 1.90 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.73 0.97 0.00 0.00 112 R 9.29 4.71 0.00 1.86 1.87 0.00 3.05 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 113 V 8.53 4.85 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 0.95 0.00 0.00 0.96 0.00 0.00 114 V 8.84 4.64 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 0.66 0.00 0.00 0.94 0.00 0.00 115 E 8.79 4.51 0.00 1.96 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 2.27 2.30 0.00 116 K 8.84 3.82 0.00 1.87 1.87 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 117 A 8.31 4.54 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 0.00 118 G 8.23 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