NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3586 8.2493 123.5827 52.5743 19.8983 176.1811 2 T 4.5834 8.2221 107.3334 60.4721 70.9952 171.7729 3 K 5.1037 8.6657 125.5752 55.3356 36.2068 176.2830 4 V 5.2261 8.9548 119.6820 59.8085 36.4556 174.6083 5 V 5.1049 8.8719 120.0647 60.4893 35.2484 173.6270 6 A 4.9869 9.0412 123.2808 50.2960 22.2699 175.0797 7 V 4.4926 8.3674 122.5594 61.1736 33.5467 174.5129 8 L 4.6152 8.9536 129.8512 54.3718 43.0675 176.4830 9 K 4.8081 9.0348 121.9655 55.4978 37.1662 175.7943 10 G 4.8904 8.0397 108.0424 45.5634 0.0000 171.9497 11 D 4.5941 9.0309 118.6991 56.4784 41.5083 177.0222 12 G 4.2086 7.5915 109.1000 44.1082 0.0000 171.5663 13 P 4.4109 0.0000 0.0000 63.7674 32.0937 175.8764 14 V 4.6504 7.8083 120.5584 62.6032 32.0282 174.9053 15 Q 4.8054 7.9403 124.1234 55.3296 31.9912 173.1678 16 G 4.4765 7.6546 106.5754 46.4785 0.0000 171.8100 17 I 5.1251 7.6703 119.7660 59.3234 40.7978 174.9000 18 I 4.6194 8.7566 127.1698 59.5294 40.4545 174.2978 19 N 5.1131 8.6327 124.3183 51.4538 41.2174 173.9677 20 F 5.4111 8.9184 119.9869 55.8195 43.2236 173.7082 21 E 5.2556 9.4872 123.0522 54.8889 33.4719 173.8893 22 Q 4.7162 9.2573 127.6794 54.4277 30.5327 174.5918 23 K 4.1820 9.0012 127.0166 58.3543 32.7505 177.6568 24 E 4.7662 7.8251 117.0302 53.9918 32.1387 176.5478 25 S 4.1463 8.8910 117.0220 60.8934 62.3801 174.8347 26 N 4.9810 8.0540 116.1218 52.3674 37.4623 174.2277 27 G 4.0231 7.7894 108.2858 44.0125 0.0000 171.9877 28 P 4.6930 0.0000 0.0000 62.6951 32.6251 175.7678 29 V 4.6616 8.8758 120.3927 61.1469 34.0360 174.3337 30 K 4.9330 9.2197 128.2758 55.5939 33.8958 175.9089 31 V 4.9192 9.4759 125.5875 60.7658 34.2778 174.2498 32 W 6.0198 8.1032 123.7624 54.6434 32.1727 175.5354 33 G 3.9342 7.6245 106.4390 45.7467 0.0000 170.7498 34 S 5.1232 7.6567 112.1946 56.8085 66.5556 173.6762 35 I 5.0937 8.5055 123.9946 59.4670 41.5164 174.5529 36 K 4.9794 9.2373 124.9088 55.7106 36.2631 177.0325 37 G 3.9286 8.8006 105.6687 46.4137 0.0000 173.5756 38 L 4.4304 7.5459 120.1108 53.4195 42.9352 176.4024 39 T 4.4000 8.1649 111.2626 60.8028 70.0064 174.1944 40 E 3.8043 8.6383 124.1134 58.0008 30.2899 175.5257 41 G 4.0391 8.1979 109.4185 43.8078 0.0000 172.7809 42 L 4.8107 8.0192 118.1214 55.1562 42.7625 176.9550 43 H 5.0582 8.9581 118.2584 54.0134 33.4911 173.4976 44 G 4.2232 9.0932 110.8301 47.1535 0.0000 172.6532 45 F 5.4493 8.9220 124.4763 57.5059 42.1983 172.8166 46 H 5.1054 8.6851 122.1594 54.3916 34.1941 172.6609 47 V 4.4313 8.6253 120.7377 62.4471 32.6083 174.9024 48 H 5.1124 9.5052 126.0074 54.4365 30.7385 175.5742 49 E 3.7401 9.0432 122.8491 59.2038 29.5954 177.2027 50 F 4.9222 8.1493 118.5227 56.0663 40.8774 176.8718 51 G 4.7180 8.4796 115.2315 44.1523 0.0000 174.1294 52 D 4.7560 7.8835 117.4229 52.6901 42.6350 174.3909 53 N 5.0984 8.5438 125.2243 53.4677 39.2258 175.7143 54 T 3.9490 8.7437 109.8861 63.5628 68.9791 174.2923 55 A 4.5891 7.7946 124.4537 50.8875 19.3579 176.0603 56 G 4.0788 7.8683 112.6378 46.2633 0.0000 172.8230 57 C 4.4684 8.5382 115.0200 58.8971 37.6763 175.6123 58 T 3.7913 7.8819 114.3430 64.7346 66.6964 175.1454 59 S 4.4705 7.5449 112.1788 59.2233 63.4622 175.2651 60 A 4.6957 7.6052 126.3741 53.7573 18.3860 178.7875 61 G 4.0332 8.0510 106.4398 44.0574 0.0000 171.0129 62 P 4.6352 0.0000 0.0000 62.0834 33.5162 175.2177 63 H 4.3041 8.3480 116.5934 55.6309 29.5127 175.5721 64 F 4.2199 9.2010 125.4433 58.4876 40.3527 174.8505 65 N 5.1116 8.0195 125.5587 51.5088 38.9810 172.8433 66 P 4.1730 0.0000 0.0000 64.9550 32.0718 178.0592 67 L 4.1987 7.5985 116.4568 53.9098 42.4511 176.1813 68 S 3.5831 7.4613 113.9277 59.8346 60.4515 170.5687 69 R 4.5534 8.5713 118.6738 54.4566 33.2602 176.2597 70 K 4.5196 8.4092 117.7113 55.3906 34.1205 176.5065 71 H 4.2136 8.7691 122.7812 56.9512 30.6112 174.3535 72 G 4.3048 7.7461 109.0420 45.6660 0.0000 172.9084 73 G 4.0519 9.2462 109.6987 43.7749 0.0000 173.2991 74 P 4.3423 0.0000 0.0000 65.0947 31.1415 177.2978 75 K 4.3819 7.9172 115.7904 56.1568 32.4758 175.6940 76 D 4.7091 7.7515 120.1477 52.8989 41.8961 176.0857 77 E 3.9700 8.9599 124.9131 58.9838 29.7614 176.6981 78 E 4.2658 7.8617 119.0662 55.1246 30.3153 175.1436 79 R 4.8309 7.5835 120.1644 56.4033 31.5842 173.5841 80 H 4.5283 8.5399 116.6048 55.1065 29.5255 177.1024 81 V 3.4573 8.2129 122.0617 66.0515 31.4487 177.1660 82 G 3.9107 8.2115 106.6768 45.7268 0.0000 172.8414 83 D 4.8743 7.9401 120.5952 54.0419 39.8005 175.7503 84 L 4.7450 8.3208 124.5517 54.0482 43.2494 178.9189 85 G 3.8806 7.9790 109.6160 47.1514 0.0000 174.6656 86 N 5.7254 8.7586 120.6491 51.3341 42.2090 173.3202 87 V 4.4592 8.4478 113.7115 59.8639 35.6206 174.7568 88 T 5.0571 8.2353 118.4552 61.8467 71.4596 173.2312 89 A 4.9606 8.8152 128.3616 51.0148 21.2506 176.1718 90 D 4.9429 8.7791 120.5219 51.3220 41.9427 177.5567 91 K 4.0821 8.6432 117.0820 59.4102 31.9557 177.5857 92 D 4.5265 8.1907 115.1915 54.4621 41.2041 176.8126 93 G 4.3621 9.2252 109.1728 44.6202 0.0000 172.6288 94 V 4.9038 7.9300 118.7469 60.5929 34.3146 174.2689 95 A 5.6125 8.8275 128.9694 49.3524 21.6797 174.4507 96 D 4.9471 8.7134 123.0939 53.1898 42.2692 176.2476 97 V 4.0074 8.7443 124.9389 61.9608 33.3426 175.3450 98 S 5.1533 8.4880 121.8178 57.5062 63.3968 172.6715 99 I 4.7625 9.6748 127.0142 58.8943 41.2286 173.9070 100 E 5.0964 8.6771 124.0585 54.7446 32.2638 174.0471 101 D 5.1450 9.4654 126.7127 52.6097 44.6467 175.9873 102 S 4.6697 8.9337 117.5754 58.3009 64.2028 174.8926 103 V 4.0074 8.3896 121.5854 65.0034 31.8727 176.4716 104 I 4.1005 7.8002 110.9569 61.1722 38.3833 174.1608 105 S 4.5884 8.4359 114.5082 58.0426 65.4602 174.3277 106 L 4.5814 8.9547 121.1017 54.0787 41.5695 176.5192 107 S 4.5034 7.9285 112.2950 58.2380 66.4111 175.9406 108 G 3.8784 8.5463 109.0444 45.1536 0.0000 173.6340 109 D 4.4274 8.8114 117.5158 57.8723 41.0316 176.9778 110 H 4.8436 8.2280 113.9680 55.7246 28.8612 174.6590 111 S 4.4366 7.9256 116.0554 58.6525 62.7341 173.8940 112 I 3.8497 8.2826 119.9585 60.3264 37.8714 175.4409 113 I 3.7438 7.0891 123.0806 62.8642 37.5033 176.4343 114 G 3.7906 9.2000 113.1834 45.5959 0.0000 172.8402 115 R 5.0361 7.3477 119.0582 54.5276 33.7933 174.4702 116 T 4.9685 7.9470 115.4858 62.1111 71.6205 173.4434 117 L 4.8685 8.6634 128.1152 53.7334 44.2031 175.3062 118 V 4.9994 8.7490 125.8867 60.9250 35.3601 174.2349 119 V 5.0821 8.6197 126.2549 60.4339 33.7277 174.8086 120 H 5.2036 8.9160 122.3026 54.4679 30.0561 175.1801 121 E 4.1903 9.3317 122.2015 58.8776 30.1100 176.6654 122 K 4.7606 8.3428 117.3296 53.9029 36.0076 175.5973 123 A 4.5270 8.3449 122.2311 52.1730 19.7861 176.0120 124 D 4.9948 9.7637 121.9676 52.9350 42.2957 175.9452 125 D 4.6459 9.1584 125.2834 53.0196 39.6848 176.9129 126 L 3.4493 9.7798 117.8376 55.8693 39.9407 175.6823 127 G 4.2208 8.8962 105.3695 46.1871 0.0000 174.6642 128 K 4.4229 7.8212 116.1911 55.5873 32.5024 177.1769 129 G 3.7531 7.8228 108.4275 45.4161 0.0000 174.4316 130 G 3.9553 8.3268 110.8864 43.4773 0.0000 172.9143 131 N 4.7364 7.2110 112.7395 50.4570 40.3360 175.3727 132 E 4.0336 8.7060 120.3747 59.4074 29.6561 178.5506 133 E 3.8789 8.2594 119.0140 59.4891 29.5755 178.6302 134 S 4.1425 8.8033 113.6666 61.1051 62.3605 175.2700 135 T 4.3434 8.0167 110.6462 61.9621 68.6474 175.5936 136 K 4.2859 7.7123 119.7961 57.8974 34.1365 176.9656 137 T 4.0527 7.9831 105.0639 60.1384 70.2839 175.0162 138 G 3.8606 8.1749 110.0437 45.0245 0.0000 173.1529 139 N 4.2846 7.8047 113.8214 54.0482 36.7733 175.1480 140 A 4.5333 7.3963 119.1324 52.0387 19.4953 179.7229 141 G 4.1538 7.9262 103.6122 44.5335 0.0000 173.4353 142 S 4.4411 8.4083 113.7213 58.4851 64.8487 173.8057 143 R 4.4861 8.3695 120.2866 55.4799 30.2310 176.4569 144 L 4.3305 8.8769 125.2863 57.1407 43.0092 177.0904 145 A 5.2085 7.6947 118.2879 50.9366 23.1365 173.7262 146 C 5.6323 8.2992 112.5844 55.9264 46.4411 172.9379 147 G 4.6660 8.0625 103.9639 45.8653 0.0000 172.7200 148 V 4.2024 8.3185 123.3550 62.4664 32.6900 175.8103 149 I 4.0509 9.1020 129.4443 61.1380 37.5030 175.2164 150 G 4.4322 8.7776 114.7930 43.7049 0.0000 171.3522 151 I 4.2678 8.3147 121.4569 61.4461 37.1680 175.9949 152 A 4.6712 9.0022 127.8534 51.8033 20.6320 176.2288 153 Q 4.0271 7.7873 120.9971 56.3316 29.1503 173.8402 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 A 8.25 4.36 1.27 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 2 T 8.22 4.58 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 1.24 0.00 0.00 3 K 8.67 5.10 0.00 1.88 1.68 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.68 7.81 4 V 8.95 5.23 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 0.63 0.00 0.00 0.74 0.00 0.00 5 V 8.87 5.10 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 0.70 0.00 0.00 0.99 0.00 0.00 6 A 9.04 4.99 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 7 V 8.37 4.49 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 0.99 0.00 0.00 0.92 0.00 0.00 8 L 8.95 4.62 0.00 1.63 1.60 1.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.03 4.81 0.00 1.67 1.63 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 8.04 4.89 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 0.00 0.00 0.00 11 D 9.03 4.59 0.00 2.68 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 12 G 7.59 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 0.00 0.00 0.00 0.00 13 P 0.00 4.41 0.00 2.23 2.30 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 14 V 7.81 4.65 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 0.57 0.00 0.00 0.97 0.00 0.00 15 Q 7.94 4.81 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 16 G 7.65 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 17 I 7.67 5.13 1.83 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 1.33 1.46 0.85 0.00 0.00 18 I 8.76 4.62 1.93 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 1.29 1.37 0.58 0.00 0.00 19 N 8.63 5.11 0.00 1.44 1.61 0.00 0.00 6.38 8.51 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 20 F 8.92 5.41 0.00 2.76 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 21 E 9.49 5.26 0.00 2.44 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 2.34 2.59 0.00 22 Q 9.26 4.72 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 23 K 9.00 4.18 0.00 1.81 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.50 7.81 24 E 7.83 4.77 0.00 2.06 1.83 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 2.31 2.21 0.00 25 S 8.89 4.15 0.00 3.83 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 26 N 8.05 4.98 0.00 2.80 2.83 0.00 0.00 5.88 7.00 0.00 0.00 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 G 7.79 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 28 P 0.00 4.69 0.00 2.13 2.12 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.88 4.66 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 1.32 0.00 0.00 1.11 0.00 0.00 30 K 9.22 4.93 0.00 1.99 1.88 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.44 7.81 31 V 9.48 4.92 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 0.54 0.00 0.00 0.90 0.00 0.00 32 W 8.10 6.02 0.00 3.46 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 33 G 7.62 3.93 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 0.00 0.00 0.00 34 S 7.66 5.12 0.00 3.85 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 35 I 8.51 5.09 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.90 0.00 0.00 36 K 9.24 4.98 0.00 1.71 1.88 0.00 1.36 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.34 7.81 37 G 8.80 3.93 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 0.00 0.00 0.00 38 L 7.55 4.43 0.00 1.83 1.50 0.83 0.41 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 39 T 8.16 4.40 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 1.24 0.00 0.00 40 E 8.64 3.80 0.00 2.02 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 2.38 2.44 0.00 41 G 8.20 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 0.00 0.00 0.00 42 L 8.02 4.81 0.00 1.51 1.59 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.96 5.06 0.00 3.05 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.09 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 0.00 0.00 0.00 0.00 45 F 8.92 5.45 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 46 H 8.69 5.11 0.00 3.05 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.63 4.43 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 0.83 0.00 0.00 0.89 0.00 0.00 48 H 9.51 5.11 0.00 3.05 3.44 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.04 3.74 0.00 1.62 1.12 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 1.47 2.04 0.00 50 F 8.15 4.92 0.00 3.38 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 51 G 8.48 4.72 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 0.00 0.00 0.00 52 D 7.88 4.76 0.00 2.60 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 53 N 8.54 5.10 0.00 2.69 2.74 0.00 0.00 7.26 7.70 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 54 T 8.74 3.95 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 1.22 0.00 0.00 55 A 7.79 4.59 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 56 G 7.87 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 0.00 0.00 0.00 57 C 8.54 4.47 0.00 2.98 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 58 T 7.88 3.79 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 59 S 7.54 4.47 0.00 4.10 3.96 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 60 A 7.61 4.70 1.44 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 61 G 8.05 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 62 P 0.00 4.64 0.00 2.02 2.19 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 63 H 8.35 4.30 0.00 2.75 3.16 0.00 5.73 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 64 F 9.20 4.22 0.00 2.90 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 65 N 8.02 5.11 0.00 2.52 2.43 0.00 0.00 6.92 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 66 P 0.00 4.17 0.00 2.07 1.97 0.00 2.89 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.13 0.00 67 L 7.60 4.20 0.00 1.54 1.67 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.46 3.58 0.00 3.99 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 69 R 8.57 4.55 0.00 1.80 1.96 0.00 3.41 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 70 K 8.41 4.52 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 71 H 8.77 4.21 0.00 3.25 3.17 0.00 5.98 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 72 G 7.75 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 73 G 9.25 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 74 P 0.00 4.34 0.00 2.23 2.38 0.00 3.78 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 2.02 2.05 0.00 75 K 7.92 4.38 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.46 7.81 76 D 7.75 4.71 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 3.97 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 2.28 2.30 0.00 78 E 7.86 4.27 0.00 1.92 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 2.22 2.29 0.00 79 R 7.58 4.83 0.00 1.81 1.77 0.00 2.71 0.00 0.00 3.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 80 H 8.54 4.53 0.00 3.51 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.21 3.46 1.46 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 0.87 0.00 0.00 0.48 0.00 0.00 82 G 8.21 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 83 D 7.94 4.87 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 84 L 8.32 4.75 0.00 1.83 1.86 0.92 1.23 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 85 G 7.98 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.76 5.73 0.00 2.59 2.71 0.00 0.00 6.57 7.68 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 87 V 8.45 4.46 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 -0.15 0.00 0.00 0.83 0.00 0.00 88 T 8.24 5.06 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 1.20 0.00 0.00 89 A 8.82 4.96 1.30 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 90 D 8.78 4.94 0.00 2.75 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 91 K 8.64 4.08 0.00 1.76 1.97 0.00 1.79 0.00 0.00 2.61 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.78 1.47 7.81 92 D 8.19 4.53 0.00 2.76 2.70 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 93 G 9.23 4.36 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 0.00 94 V 7.93 4.90 2.34 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 0.92 0.00 0.00 0.92 0.00 0.00 95 A 8.83 5.61 1.14 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 96 D 8.71 4.95 0.00 2.53 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 97 V 8.74 4.01 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 0.81 0.00 0.00 0.58 0.00 0.00 98 S 8.49 5.15 0.00 3.90 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 99 I 9.67 4.76 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 1.00 0.00 0.00 100 E 8.68 5.10 0.00 1.94 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 2.22 2.32 0.00 101 D 9.47 5.14 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.67 0.00 4.03 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 0.00 103 V 8.39 4.01 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 0.79 0.00 0.00 0.95 0.00 0.00 104 I 7.80 4.10 1.97 0.00 0.00 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 1.61 0.83 1.07 0.00 0.00 105 S 8.44 4.59 0.00 3.84 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 0.00 106 L 8.95 4.58 0.00 1.73 1.63 0.99 0.63 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 S 7.93 4.50 0.00 3.89 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 0.00 108 G 8.55 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.81 4.43 0.00 2.77 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 H 8.23 4.84 0.00 3.23 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.93 4.44 0.00 3.92 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 0.00 112 I 8.28 3.85 1.57 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.13 0.94 0.00 0.00 113 I 7.09 3.74 1.78 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 1.11 0.43 0.83 0.00 0.00 114 G 9.20 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 0.00 115 R 7.35 5.04 0.00 1.59 1.79 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.20 0.00 116 T 7.95 4.97 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 1.20 0.00 0.00 117 L 8.66 4.87 0.00 1.77 1.54 0.46 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.75 5.00 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 0.74 0.00 0.00 0.73 0.00 0.00 119 V 8.62 5.08 2.29 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 0.82 0.00 0.00 0.97 0.00 0.00 120 H 8.92 5.20 0.00 3.26 3.55 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.33 4.19 0.00 2.00 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 2.38 2.35 0.00 122 K 8.34 4.76 0.00 1.81 1.70 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 123 A 8.34 4.53 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 0.00 124 D 9.76 4.99 0.00 2.76 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 0.00 125 D 9.16 4.65 0.00 2.91 2.88 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 0.00 0.00 0.00 126 L 9.78 3.45 0.00 1.91 1.77 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.90 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 0.00 0.00 0.00 0.00 128 K 7.82 4.42 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.40 7.81 129 G 7.82 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 0.00 130 G 8.33 3.96 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 0.00 0.00 0.00 131 N 7.21 4.74 0.00 2.77 2.75 0.00 0.00 6.28 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 0.00 132 E 8.71 4.03 0.00 2.05 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 2.37 2.36 0.00 133 E 8.26 3.88 0.00 2.11 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 2.44 2.45 0.00 134 S 8.80 4.14 0.00 4.06 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 0.00 135 T 8.02 4.34 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 0.00 136 K 7.71 4.29 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.58 7.81 137 T 7.98 4.05 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 1.17 0.00 0.00 138 G 8.17 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 0.00 139 N 7.80 4.28 0.00 2.90 2.90 0.00 0.00 6.87 6.73 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 0.00 140 A 7.40 4.53 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 0.00 141 G 7.93 4.15 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 0.00 142 S 8.41 4.44 0.00 3.94 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 0.00 143 R 8.37 4.49 0.00 1.68 1.82 0.00 3.29 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 144 L 8.88 4.33 0.00 1.60 1.69 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.69 5.21 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 0.00 146 C 8.30 5.63 0.00 3.05 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 0.00 147 G 8.06 4.67 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 0.00 148 V 8.32 4.20 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 0.91 0.00 0.00 149 I 9.10 4.05 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 0.91 0.50 0.47 0.00 0.00 150 G 8.78 4.43 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 0.00 151 I 8.31 4.27 1.85 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 1.25 0.54 0.93 0.00 0.00 152 A 9.00 4.67 1.23 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 0.00 0.00 153 Q 7.79 4.03 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00