NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7636 8.3549 109.7293 45.5379 0.0000 173.8495 2 S 4.3731 8.4456 123.3505 55.1395 62.1270 171.9806 3 S 4.4678 8.2247 118.8424 55.8885 66.5787 173.4641 4 G 3.7626 8.6286 113.0912 46.6091 0.0000 172.3519 5 S 4.5141 7.7729 117.3312 56.8716 65.0755 176.2805 6 S 4.2920 8.7032 118.1771 58.9863 62.9526 173.1998 7 G 3.9136 8.0508 107.6346 46.9642 0.0000 174.2158 8 D 4.5283 8.0879 120.4354 56.0086 40.0020 177.1552 9 D 4.8484 7.7048 119.5360 51.2896 39.2418 175.5503 10 D 4.2154 8.2881 126.8498 58.1322 41.8853 176.9440 11 I 3.7081 7.8371 119.8131 64.6895 37.0525 177.5473 12 E 3.9234 8.2719 118.4781 59.9756 29.1155 179.1999 13 Q 4.0136 7.2943 115.9301 59.2712 29.0343 178.9669 14 L 4.1405 7.7288 121.0547 57.7265 42.1349 178.7691 15 L 3.9612 8.4258 119.4510 58.0909 41.3698 179.0394 16 E 3.9930 8.1355 118.2832 59.8981 29.4518 179.5710 17 F 4.2514 8.2446 119.9254 61.3529 39.1899 177.0056 18 M 3.7968 8.1903 118.4852 58.7615 31.5228 178.1972 19 H 4.1989 7.5411 116.9668 59.2845 30.0683 176.7034 20 Q 3.9443 7.4209 118.5559 58.0323 28.8012 177.7623 21 L 4.2563 6.9261 119.4819 53.4523 42.7863 176.3295 22 P 4.0872 0.0000 0.0000 65.8762 31.7104 178.3929 23 A 3.9969 7.2317 119.3851 54.7034 18.2193 178.3497 24 F 4.8739 7.5560 111.5640 58.6233 39.1755 176.5114 25 A 4.4342 8.2952 124.2465 53.6634 19.3743 178.7397 26 N 4.2734 8.3604 113.9281 56.0782 38.9851 174.3340 27 M 4.6785 7.3636 112.9497 52.8895 33.2211 175.8500 28 T 3.9781 8.3051 114.6532 62.4089 69.2609 174.6617 29 M 3.9026 8.5646 121.5346 58.9756 32.3365 178.0003 30 S 4.0676 8.0508 114.8932 61.9130 63.0443 176.9649 31 V 3.6240 7.3677 120.2138 66.0225 31.1924 178.1803 32 R 3.9515 8.4994 118.0138 59.3911 29.7837 178.8206 33 R 3.9107 7.9762 116.4458 59.6336 30.4363 177.8239 34 E 4.1256 8.3190 118.1578 59.4423 29.4980 179.3086 35 L 4.0892 8.1606 119.0179 58.0840 41.5337 179.3023 36 C 4.3630 8.0314 115.1700 62.1178 28.1019 175.3268 37 S 4.6429 7.7936 114.8124 58.7093 62.9552 174.9057 38 V 4.4471 7.9523 114.0671 60.6089 32.7277 174.6021 39 M 4.7591 7.7121 117.0797 53.4986 33.1265 175.7080 40 I 3.9241 8.6250 122.9365 60.8268 39.3634 174.6973 41 F 5.0232 8.4115 122.6849 56.1091 40.4824 175.1800 42 E 5.0056 8.9177 122.7393 54.7492 34.3195 175.2999 43 V 4.7710 8.2376 122.4388 60.3360 34.3194 174.4603 44 V 3.8533 9.3373 127.3383 63.0308 32.2076 176.2008 45 E 4.1847 9.0208 126.9581 58.3542 31.3847 175.9993 46 Q 4.2575 8.0624 119.3279 54.2661 28.1387 175.2210 47 A 4.1805 8.7449 126.5562 52.7184 18.5128 176.4773 48 G 4.0248 7.7789 103.8529 46.6023 0.0000 173.2036 49 A 4.6361 7.8077 120.0243 50.2422 21.0813 177.5561 50 I 4.2800 8.2177 122.0895 61.4871 37.3345 175.9320 51 I 4.0728 8.2729 128.1223 63.0485 38.2553 176.4729 52 L 4.6084 7.3523 119.6007 53.2772 46.0601 175.3361 53 E 4.9502 8.5618 121.6588 54.4088 32.1789 175.2335 54 D 4.4185 7.8690 121.5970 53.4645 40.3024 176.5308 55 G 3.7715 9.2177 112.3403 45.9015 0.0000 172.2551 56 Q 4.5211 7.8534 120.4416 53.5241 31.4413 173.8841 57 E 4.5352 9.0000 127.4614 56.4832 28.5620 175.3139 58 L 4.4024 8.8837 127.4734 54.9387 42.3583 177.1101 59 D 5.0536 9.1599 122.2457 52.8704 41.4268 175.4567 60 S 5.0145 8.1869 114.4758 56.5278 66.7433 172.9758 61 W 4.8505 8.9644 133.5038 56.5745 32.1145 174.5179 62 Y 5.0559 8.6860 124.4681 55.1471 40.3853 174.9595 63 V 4.0351 7.3736 121.4498 60.7828 35.2119 174.0738 64 I 4.3917 8.3194 129.1114 61.9653 37.0426 176.6126 65 L 4.5134 8.4270 128.2674 57.1969 42.4025 177.2544 66 N 4.8077 7.8288 115.0244 53.4459 42.7205 175.2465 67 G 4.0278 9.0654 110.5086 45.5372 0.0000 171.7389 68 T 5.0400 8.1533 113.7953 61.7538 71.7336 174.2028 69 V 4.7398 8.1809 116.1136 59.5536 35.4970 174.0829 70 E 4.5879 9.3120 126.3336 54.5239 32.0172 174.4234 71 I 4.7869 8.1817 126.8064 59.4742 40.4128 174.4219 72 S 5.1226 9.0360 120.6134 56.8093 65.2794 172.3897 73 H 5.3043 8.9200 123.5204 53.2384 30.7689 173.0998 74 P 4.3977 0.0000 0.0000 65.4392 31.6804 177.5974 75 D 4.3992 8.0175 118.3894 56.3016 39.5962 175.4739 76 G 3.3224 6.7267 108.2559 44.7655 0.0000 172.7970 77 K 4.6682 8.1618 121.3327 54.1129 35.5717 174.9897 78 V 5.3659 8.0911 124.7013 60.1696 33.9369 174.8076 79 E 4.4771 8.7490 127.7986 55.8769 31.4641 175.7985 80 N 4.6356 8.3777 118.1267 51.4091 39.3897 173.4842 81 L 4.4615 7.9554 124.0458 52.8748 44.8500 175.7388 82 F 5.2554 8.5064 118.5779 55.5477 43.9453 173.8730 83 M 3.9237 8.0111 116.4912 57.0959 32.6120 175.2636 84 G 4.1298 8.8928 117.0072 46.2834 0.0000 173.6996 85 N 4.9463 8.6368 117.4114 53.2668 39.8925 174.4345 86 S 4.8045 8.3635 113.9335 57.0606 66.4815 172.9940 87 F 4.6146 8.5971 114.8836 58.3079 41.0989 172.3327 88 G 4.2755 9.0611 111.8418 44.5107 0.0000 174.8705 89 I 4.7933 8.7203 111.9320 58.9722 41.9505 175.4802 90 T 4.4709 8.0666 110.5365 59.6474 69.9208 173.7217 91 P 3.6835 0.0000 0.0000 63.5705 31.2050 175.5525 92 T 4.6611 7.4047 111.0277 59.8592 70.2979 175.6698 93 L 3.4868 7.8693 124.7765 57.7848 41.7651 177.9296 94 D 4.1811 7.2640 117.5034 54.8269 40.9741 177.0281 95 K 4.3215 8.2726 123.6820 55.9682 33.6669 175.2812 96 Q 4.1747 7.6842 113.4539 55.3612 32.2749 172.9434 97 Y 5.3183 7.7541 116.9160 55.9809 40.9997 175.4852 98 M 4.0624 8.8071 124.2115 55.8778 33.4899 176.3368 99 H 5.2386 8.6170 124.4637 54.9040 29.7238 173.9554 100 G 3.8886 7.0977 104.3972 46.6383 0.0000 172.0222 101 I 4.6149 8.1555 120.5439 59.3909 39.8855 175.4883 102 V 4.4689 8.3843 127.2822 61.7112 33.6956 174.9536 103 R 5.2211 8.8668 125.7310 54.7371 33.5033 174.9661 104 T 4.3774 8.7218 114.3961 62.3901 69.4826 174.7414 105 K 4.6356 9.2181 121.7486 57.1770 33.9713 176.4656 106 V 4.6275 7.6116 110.6331 59.4810 36.0879 174.7318 107 D 4.6434 8.6530 121.9173 53.1617 42.5122 175.7554 108 D 4.3771 7.8152 115.0884 55.7606 39.0497 174.2482 109 C 4.4540 8.0805 116.3455 59.1697 29.8633 174.0155 110 Q 4.6128 7.8387 123.0845 54.8625 30.7021 174.7105 111 F 5.6754 9.2132 119.8382 57.1554 44.7543 173.3385 112 V 4.7280 8.1694 117.7115 60.0657 34.9351 173.5318 113 C 4.7295 8.5015 120.7921 57.8535 31.0445 172.6699 114 I 4.7981 7.9731 123.9443 58.8773 40.6119 175.3952 115 A 4.2956 8.6739 129.4856 52.2493 19.1568 177.7078 116 Q 4.1483 8.6327 122.6823 59.6480 29.1322 178.7097 117 Q 4.1499 8.2847 118.1739 59.8946 28.3895 179.5119 118 D 4.4482 7.8569 117.3473 57.3691 40.6615 178.0702 119 Y 4.5816 8.3897 119.3800 58.9726 38.9336 176.0449 120 W 4.6325 8.0511 128.1733 56.5785 31.4621 176.3250 121 R 3.9438 7.4441 114.4416 57.2163 30.4953 176.8700 122 I 4.1093 7.3167 117.7623 62.7590 38.4889 176.4923 123 L 3.9106 7.5361 118.9538 57.8988 41.6918 177.7562 124 N 4.4105 7.3492 113.4010 52.8672 40.4458 174.7657 125 H 4.6674 7.8976 113.7374 54.8180 28.0191 174.5026 126 V 3.6850 6.8861 119.7458 61.8172 32.8813 175.6110 127 E 3.8846 8.5837 123.6834 59.5385 29.3698 178.3572 128 K 4.1918 7.7336 120.5445 55.6676 32.0625 177.1875 129 S 4.1201 8.9057 120.9686 61.0118 62.9156 174.9435 130 G 4.5379 7.5228 105.8705 42.1689 0.0000 170.6580 131 P 4.2847 0.0000 0.0000 62.5245 31.8413 176.7789 132 S 4.4272 8.4918 117.8292 57.7955 62.0983 174.1607 133 S 4.5983 8.2914 120.9025 55.9595 62.9796 174.5371 134 G 3.7251 8.1823 115.6910 46.5259 0.0000 170.6759 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 3.76 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 0.00 0.00 0.00 2 S 8.45 4.37 0.00 3.92 3.83 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 3 S 8.22 4.47 0.00 3.86 3.71 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 0.00 0.00 0.00 0.00 4 G 8.63 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 0.00 0.00 0.00 5 S 7.77 4.51 0.00 3.88 3.74 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 0.00 0.00 0.00 6 S 8.70 4.29 0.00 3.99 3.83 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 7 G 8.05 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 8 D 8.09 4.53 0.00 2.62 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 9 D 7.70 4.85 0.00 2.82 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 10 D 8.29 4.22 0.00 2.71 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 11 I 7.84 3.71 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.46 0.93 0.00 0.00 12 E 8.27 3.92 0.00 2.13 2.03 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 2.41 2.37 0.00 13 Q 7.29 4.01 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 14 L 7.73 4.14 0.00 1.69 1.84 0.94 0.95 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 15 L 8.43 3.96 0.00 1.92 1.73 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.14 3.99 0.00 2.21 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 0.00 2.37 2.55 0.00 17 F 8.24 4.25 0.00 3.08 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 18 M 8.19 3.80 0.00 1.93 2.24 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 19 H 7.54 4.20 0.00 3.03 3.53 0.00 5.97 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.42 3.94 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 21 L 6.93 4.26 0.00 1.78 1.54 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.09 0.00 2.23 2.31 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 23 A 7.23 4.00 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 24 F 7.56 4.87 0.00 3.07 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 25 A 8.30 4.43 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.36 4.27 0.00 2.71 2.94 0.00 0.00 6.81 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 27 M 7.36 4.68 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 28 T 8.31 3.98 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 1.26 0.00 0.00 29 M 8.56 3.90 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 30 S 8.05 4.07 0.00 3.90 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 31 V 7.37 3.62 2.28 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 1.07 0.00 0.00 0.91 0.00 0.00 32 R 8.50 3.95 0.00 2.01 1.95 0.00 3.24 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 33 R 7.98 3.91 0.00 1.81 2.12 0.00 3.41 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 34 E 8.32 4.13 0.00 2.26 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 2.33 2.61 0.00 35 L 8.16 4.09 0.00 1.96 1.86 1.26 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.03 4.36 0.00 3.13 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.79 4.64 0.00 4.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.95 4.45 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.03 0.00 0.00 39 M 7.71 4.76 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.39 0.00 40 I 8.62 3.92 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.07 0.88 0.00 0.00 41 F 8.41 5.02 0.00 2.94 2.86 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 42 E 8.92 5.01 0.00 1.93 1.91 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 2.27 2.45 0.00 43 V 8.24 4.77 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 0.62 0.00 0.00 0.92 0.00 0.00 44 V 9.34 3.85 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 0.98 0.00 0.00 1.17 0.00 0.00 45 E 9.02 4.18 0.00 1.95 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 0.00 2.36 2.28 0.00 46 Q 8.06 4.26 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 47 A 8.74 4.18 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.78 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 49 A 7.81 4.64 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 50 I 8.22 4.28 1.83 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 1.31 0.40 0.93 0.00 0.00 51 I 8.27 4.07 1.49 0.00 0.00 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 1.01 0.38 0.60 0.00 0.00 52 L 7.35 4.61 0.00 1.31 1.34 0.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.56 4.95 0.00 1.79 1.82 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 2.20 2.30 0.00 54 D 7.87 4.42 0.00 2.68 2.65 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 55 G 9.22 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 56 Q 7.85 4.52 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 57 E 9.00 4.54 0.00 2.14 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 2.41 2.60 0.00 58 L 8.88 4.40 0.00 1.84 1.73 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.16 5.05 0.00 2.71 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 60 S 8.19 5.01 0.00 3.61 3.46 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 61 W 8.96 4.85 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 62 Y 8.69 5.06 0.00 1.48 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 0.00 0.00 0.00 63 V 7.37 4.04 1.70 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 0.53 0.00 0.00 -0.94 0.00 0.00 64 I 8.32 4.39 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 1.12 0.00 0.00 65 L 8.43 4.51 0.00 1.49 1.67 1.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.83 4.81 0.00 2.81 2.45 0.00 0.00 7.36 8.08 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 67 G 9.07 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 68 T 8.15 5.04 4.39 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 1.49 0.00 0.00 69 V 8.18 4.74 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 1.01 0.00 0.00 0.91 0.00 0.00 70 E 9.31 4.59 0.00 1.95 1.82 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 2.16 2.36 0.00 71 I 8.18 4.79 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.57 0.66 0.00 0.00 72 S 9.04 5.12 0.00 3.74 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 73 H 8.92 5.30 0.00 3.22 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.68 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 4.40 0.00 2.18 2.19 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 75 D 8.02 4.40 0.00 2.78 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 76 G 6.73 3.32 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 0.00 77 K 8.16 4.67 0.00 1.93 1.60 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 78 V 8.09 5.37 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 1.00 0.00 0.00 0.92 0.00 0.00 79 E 8.75 4.48 0.00 1.89 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 2.41 2.28 0.00 80 N 8.38 4.64 0.00 2.32 2.69 0.00 0.00 5.94 7.79 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 81 L 7.96 4.46 0.00 1.47 1.55 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.51 5.26 0.00 3.03 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 83 M 8.01 3.92 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.66 0.00 84 G 8.89 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 85 N 8.64 4.95 0.00 2.93 2.85 0.00 0.00 6.53 8.79 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 86 S 8.36 4.80 0.00 4.21 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 87 F 8.60 4.61 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 9.06 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 0.00 0.00 0.00 0.00 89 I 8.72 4.79 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.88 1.09 0.00 0.00 90 T 8.07 4.47 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 1.20 0.00 0.00 91 P 0.00 3.68 0.00 1.78 1.12 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 92 T 7.40 4.66 4.18 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 1.19 0.00 0.00 93 L 7.87 3.49 0.00 1.13 1.37 -0.27 0.24 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 94 D 7.26 4.18 0.00 2.57 2.55 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 0.00 0.00 0.00 0.00 95 K 8.27 4.32 0.00 1.61 1.62 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.65 7.81 96 Q 7.68 4.17 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.49 0.00 97 Y 7.75 5.32 0.00 2.77 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 98 M 8.81 4.06 0.00 2.33 1.94 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 99 H 8.62 5.24 0.00 3.13 3.30 0.00 5.85 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 0.00 100 G 7.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.16 4.61 1.80 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 1.06 0.58 0.86 0.00 0.00 102 V 8.38 4.47 1.79 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 0.51 0.00 0.00 0.54 0.00 0.00 103 R 8.87 5.22 0.00 1.64 1.71 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 104 T 8.72 4.38 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 1.44 0.00 0.00 105 K 9.22 4.64 0.00 1.85 1.94 0.00 1.68 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.59 7.81 106 V 7.61 4.63 2.11 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 0.72 0.00 0.00 0.97 0.00 0.00 107 D 8.65 4.64 0.00 2.55 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 0.00 108 D 7.82 4.38 0.00 2.81 2.69 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 0.00 109 C 8.08 4.45 0.00 3.01 2.65 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 0.00 110 Q 7.84 4.61 0.00 1.74 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.39 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 111 F 9.21 5.68 0.00 3.01 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 0.00 112 V 8.17 4.73 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 0.92 0.00 0.00 0.79 0.00 0.00 113 C 8.50 4.73 0.00 2.66 2.57 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 0.00 114 I 7.97 4.80 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 1.02 0.00 0.00 115 A 8.67 4.30 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.63 4.15 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 117 Q 8.28 4.15 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 118 D 7.86 4.45 0.00 2.91 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 0.00 119 Y 8.39 4.58 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.05 4.63 0.00 3.32 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.44 3.94 0.00 1.92 1.85 0.00 3.33 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.80 0.00 122 I 7.32 4.11 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.75 1.01 0.00 0.00 123 L 7.54 3.91 0.00 1.27 1.50 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 124 N 7.35 4.41 0.00 2.14 2.36 0.00 0.00 6.44 8.32 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 0.00 125 H 7.90 4.67 0.00 2.99 3.15 0.00 5.89 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 6.89 3.69 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.86 0.00 0.00 127 E 8.58 3.88 0.00 1.98 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 2.32 2.40 0.00 128 K 7.73 4.19 0.00 1.71 1.90 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 129 S 8.91 4.12 0.00 3.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.52 4.54 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 0.00 0.00 0.00 131 P 0.00 4.28 0.00 2.20 2.21 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 132 S 8.49 4.43 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.29 4.60 0.00 3.93 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 0.00 134 G 8.18 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