NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3161 8.2993 120.1357 55.9934 33.0039 175.6941 2 P 4.3850 0.0000 0.0000 61.5210 33.2687 175.5596 3 Q 4.0213 8.8039 118.3702 57.0493 30.0070 177.7604 4 A 4.0186 7.9912 122.5457 50.3997 20.6751 174.5410 5 P 4.4081 0.0000 0.0000 63.4269 32.6987 175.8531 6 E 4.4300 8.5217 120.3561 54.6927 32.3974 174.0067 7 L 4.9240 8.5279 127.3228 53.6714 43.3660 176.4788 8 R 4.8067 9.0150 122.3740 54.3620 33.5589 174.7261 9 I 5.1386 8.4282 116.7521 59.6442 41.0811 174.7444 10 F 5.0294 8.6559 123.2705 56.9270 43.1206 172.3319 11 P 4.9119 0.0000 0.0000 61.7145 32.6718 176.3219 12 K 4.2930 8.5508 117.0946 58.7683 32.3308 177.1064 13 K 4.9820 7.2773 115.5814 55.3228 36.3603 174.9754 14 M 4.3983 8.3774 120.0502 55.6952 36.4547 173.1317 15 D 5.0188 8.9247 118.2439 53.9230 41.8314 174.4535 16 A 4.5818 8.1573 120.8865 50.9153 23.5015 174.8722 17 E 3.8706 8.6330 117.8623 56.3532 30.6681 176.4859 18 L 3.6359 8.3810 123.9299 58.7396 42.0493 176.0998 19 G 3.9268 7.9690 114.0061 45.1600 0.0000 172.1065 20 Q 4.6292 7.8649 120.0163 53.6090 32.2049 174.9510 21 K 5.1502 8.4974 125.0326 55.5418 32.4653 176.0329 22 V 4.1604 8.1838 129.0747 61.4831 32.9310 173.9215 23 D 5.3988 8.5416 127.7535 51.4431 41.5101 175.3443 24 L 4.7949 8.7692 123.0939 52.8563 44.6723 175.8159 25 V 5.2106 8.5633 116.7784 59.9087 34.7656 174.0422 26 C 5.4029 9.7838 124.2604 54.8963 47.4338 172.0287 27 E 5.1711 9.7999 129.0929 54.7980 30.9439 174.4429 28 V 4.5695 8.6943 128.2404 61.5154 32.9714 174.7858 29 L 4.5892 8.5413 128.3130 53.5034 43.6904 175.8215 30 G 4.2046 8.7859 111.3461 44.5719 0.0000 173.5706 31 S 4.6355 8.4936 114.9058 58.1151 63.3388 174.4003 32 V 4.1819 7.4409 113.1404 60.7107 31.5505 175.7826 33 S 4.9755 7.4215 116.2782 58.2454 64.3246 176.6239 34 Q 4.3531 8.6705 123.3647 55.0825 30.4820 175.9475 35 G 3.7840 9.0490 108.6815 45.3416 0.0000 172.0301 36 C 4.2972 7.3832 115.5230 58.2840 35.3693 172.7557 37 S 5.1923 8.5549 120.7609 56.5038 66.4545 172.8968 38 W 4.7767 9.2672 124.6935 55.1448 31.0230 175.7320 39 L 5.0117 8.7247 125.0443 53.2729 44.6353 175.1056 40 F 5.3439 8.8761 121.0494 57.3214 43.3989 173.0641 41 Q 4.2330 9.2506 125.7894 53.4105 30.3580 173.9667 42 N 3.7096 7.7834 121.7305 53.9590 38.8068 174.4377 43 S 4.4203 8.7017 120.9212 61.3646 63.2548 174.4804 44 S 4.4333 8.3604 115.6393 57.8285 61.7099 173.1240 45 S 4.8052 7.7518 121.3338 58.3017 64.6587 176.8054 46 K 4.2450 8.7654 125.0064 58.2458 33.5469 176.9362 47 L 4.4094 7.5793 119.2152 52.0977 42.5544 175.4177 48 P 4.2274 0.0000 0.0000 63.0170 28.8920 173.7922 49 Q 4.3601 7.8795 125.9137 53.8619 29.2219 173.3003 50 P 4.7621 0.0000 0.0000 63.0183 32.6601 175.8761 51 T 4.6870 9.3630 112.3985 59.6404 71.6110 172.8244 52 F 4.0497 9.1822 129.5761 58.7819 39.3856 173.6568 53 V 3.8644 8.1260 127.7460 63.4117 31.5378 175.3446 54 V 4.3930 6.5400 116.8896 60.1006 35.6549 172.5233 55 Y 5.1988 8.7401 122.5377 56.1824 41.9394 174.1942 56 M 4.8111 7.9431 124.5805 53.3248 36.3412 174.5984 57 A 4.5239 7.7581 124.5612 51.2061 19.7250 177.8283 58 S 4.4482 9.0062 112.9824 58.2787 63.2603 174.0396 59 S 4.5610 7.0900 113.0306 59.6694 65.8610 173.5636 60 H 4.5503 7.5795 115.7572 54.3448 29.6646 175.7972 61 N 4.7350 8.6796 117.4033 53.8572 38.0074 174.6431 62 K 4.5105 8.1641 122.6959 55.8766 33.3573 175.5511 63 I 4.8275 8.5594 120.6885 59.3769 40.2382 174.9497 64 T 4.6762 8.8441 121.7855 62.1391 70.9977 173.6845 65 W 5.3277 8.9741 127.6269 55.2582 32.4493 174.5630 66 D 5.1393 8.5326 119.8799 52.5590 42.9437 176.9810 67 E 4.2238 9.2384 121.7686 57.3472 29.4439 176.8154 68 K 4.0368 8.2990 121.0857 57.8209 33.2894 177.0435 69 L 3.3815 9.1971 125.9527 61.8375 40.0982 176.8783 70 N 4.0018 6.4498 119.2079 53.9722 37.5241 173.1101 71 S 4.6870 8.4247 122.3646 58.2287 63.6587 174.9282 72 S 4.1792 8.9598 119.0837 58.5056 60.9103 174.0860 73 K 5.0313 7.5183 135.0000 56.6902 32.9950 175.7080 74 L 4.5712 6.9063 117.6521 54.7868 42.3600 176.3287 75 F 5.5246 7.6512 118.1126 55.8266 41.3949 175.0742 76 S 4.9272 9.1981 116.6763 57.3069 66.1400 172.7166 77 A 5.2412 9.1720 127.4640 50.8609 22.3714 174.6165 78 M 4.9398 8.9642 117.5901 53.5436 35.7399 173.8036 79 R 4.7554 8.4081 118.4002 54.7258 32.0223 174.7054 80 D 4.9550 8.9540 131.2403 54.2609 42.6400 176.2829 81 T 4.2511 8.0693 122.7365 64.0355 67.7222 177.0215 82 N 4.2389 9.1775 132.9339 55.2755 37.3473 174.0840 83 N 3.9466 8.1664 125.0845 53.8028 36.6632 174.7632 84 K 4.8246 7.5646 118.3024 55.3147 34.1770 176.1899 85 Y 4.7616 9.3095 125.0541 56.3118 39.9123 175.2121 86 V 4.5007 8.6967 125.5982 61.7200 33.7654 174.7138 87 L 4.4682 9.0928 129.6707 53.4956 44.5304 174.8281 88 T 4.8950 9.1032 117.7092 60.1790 71.5513 173.5968 89 L 4.9962 9.0848 125.3195 53.1924 43.5320 175.5613 90 N 4.3080 9.5294 123.6449 53.0243 39.1179 171.8704 91 K 3.6073 8.8152 130.5377 55.4535 30.0006 174.1337 92 F 4.3434 8.8811 128.5891 58.5598 37.9979 174.9370 93 S 4.9418 8.1846 122.6129 56.1026 65.2214 175.2768 94 K 4.1367 8.4654 119.9068 59.6247 31.9955 178.3902 95 E 4.3564 7.8060 115.3629 57.9392 29.5372 177.1726 96 N 4.5259 7.7637 115.3566 54.2341 39.6936 175.6128 97 E 4.9350 7.6037 117.9721 54.7057 30.7018 176.8755 98 G 4.2616 7.6851 111.5093 46.4002 0.0000 169.3834 99 Y 5.3618 8.0618 118.4233 56.6128 40.7091 174.9303 100 Y 5.7297 8.7409 121.2050 56.5964 41.8877 174.7590 101 F 5.3062 9.2474 113.2848 56.6056 41.5627 170.5917 102 C 4.5879 8.6564 117.1495 54.2547 43.7626 172.3764 103 S 5.0495 8.6765 114.6727 56.8338 65.9884 172.6567 104 V 4.6421 8.1539 122.3647 61.5551 35.5379 173.2204 105 I 4.9241 8.2506 124.8225 59.5173 39.8435 174.9841 106 S 4.5769 8.9240 121.7759 57.4515 64.7453 173.5437 107 N 4.0434 9.8039 126.5483 54.6176 35.6978 175.5824 108 S 4.0642 7.9117 111.2921 59.2231 62.8834 172.3817 109 V 3.8310 7.4103 114.4365 60.6253 32.0952 174.7763 110 M 4.5464 8.1476 124.3853 54.6585 32.9785 175.1302 111 Y 4.5971 8.5153 121.4018 56.0750 41.1414 174.7858 112 F 5.5306 8.6677 120.8093 55.6040 42.4508 175.1772 113 S 4.7003 9.1807 118.3697 57.6518 64.1273 174.2264 114 S 4.3544 8.6552 116.0857 57.9523 63.4762 174.5812 115 V 4.2220 8.2352 123.0816 62.2416 32.5652 175.8736 116 V 5.0499 8.9142 114.6492 57.8353 35.2584 173.4881 117 P 4.4873 0.0000 0.0000 62.3972 32.4005 176.6637 118 V 4.8652 8.3765 123.4732 60.2368 30.9003 173.3252 119 L 5.0907 7.5561 124.2351 52.8702 45.4811 176.3928 120 Q 4.1543 8.5223 121.5589 55.6717 29.8062 175.8409 121 K 3.9729 8.5586 126.2845 57.6890 32.2660 176.0895 122 V 3.2936 9.3989 122.5142 61.9772 31.0252 174.5702 123 S 3.6688 8.2543 114.3621 59.5212 60.9700 172.0373 124 S 4.5093 7.5662 113.9751 56.8295 64.9861 174.0955 125 A 3.9579 8.4756 122.0302 52.3870 17.9777 178.0029 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 K 8.30 4.32 0.00 1.75 1.87 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.51 7.81 2 P 0.00 4.38 0.00 2.27 2.11 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 3 Q 8.80 4.02 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 4 A 7.99 4.02 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 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.41 0.00 1.56 1.83 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 6 E 8.52 4.43 0.00 1.88 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 0.00 2.17 2.23 0.00 7 L 8.53 4.92 0.00 1.54 1.54 0.82 0.84 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 8 R 9.01 4.81 0.00 1.74 1.83 0.00 3.09 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 9 I 8.43 5.14 2.11 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 1.57 0.64 1.17 0.00 0.00 10 F 8.66 5.03 0.00 3.13 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 11 P 0.00 4.91 0.00 2.25 1.69 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 12 K 8.55 4.29 0.00 1.98 1.98 0.00 1.76 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.62 7.81 13 K 7.28 4.98 0.00 1.61 1.68 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.49 7.81 14 M 8.38 4.40 0.00 2.03 1.75 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 15 D 8.92 5.02 0.00 2.79 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 16 A 8.16 4.58 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.87 0.00 1.92 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 2.36 2.36 0.00 18 L 8.38 3.64 0.00 1.40 1.55 0.83 0.74 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 19 G 7.97 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 20 Q 7.86 4.63 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 21 K 8.50 5.15 0.00 1.78 1.71 0.00 1.61 0.00 0.00 2.26 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.24 7.81 22 V 8.18 4.16 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 0.64 0.00 0.00 0.89 0.00 0.00 23 D 8.54 5.40 0.00 2.63 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 24 L 8.77 4.79 0.00 0.77 1.39 0.39 0.61 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 25 V 8.56 5.21 2.27 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 1.04 0.00 0.00 1.23 0.00 0.00 26 C 9.78 5.40 0.00 2.41 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 27 E 9.80 5.17 0.00 2.06 1.84 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 2.23 2.25 0.00 28 V 8.69 4.57 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 0.75 0.00 0.00 0.86 0.00 0.00 29 L 8.54 4.59 0.00 1.58 1.51 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.79 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 31 S 8.49 4.64 0.00 3.97 3.94 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 0.00 0.00 0.00 32 V 7.44 4.18 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 0.73 0.00 0.00 0.84 0.00 0.00 33 S 7.42 4.98 0.00 4.11 3.84 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 34 Q 8.67 4.35 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 35 G 9.05 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 0.00 0.00 0.00 36 C 7.38 4.30 0.00 1.76 1.18 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 37 S 8.55 5.19 0.00 3.75 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 38 W 9.27 4.78 0.00 3.02 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 39 L 8.72 5.01 0.00 0.27 1.46 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.88 5.34 0.00 2.50 2.82 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 41 Q 9.25 4.23 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 42 N 7.78 3.71 0.00 2.49 2.65 0.00 0.00 7.17 7.63 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 43 S 8.70 4.42 0.00 4.10 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 44 S 8.36 4.43 0.00 4.08 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 45 S 7.75 4.81 0.00 3.83 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 46 K 8.77 4.24 0.00 1.88 1.90 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 47 L 7.58 4.41 0.00 1.63 1.61 0.90 0.98 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 48 P 0.00 4.23 0.00 2.04 1.94 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 49 Q 7.88 4.36 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 50 P 0.00 4.76 0.00 2.22 2.20 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 51 T 9.36 4.69 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 1.28 0.00 0.00 52 F 9.18 4.05 0.00 3.07 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 53 V 8.13 3.86 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 0.55 0.00 0.00 0.34 0.00 0.00 54 V 6.54 4.39 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 0.33 0.00 0.00 -0.85 0.00 0.00 55 Y 8.74 5.20 0.00 3.30 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 56 M 7.94 4.81 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 57 A 7.76 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.01 4.45 0.00 4.04 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 59 S 7.09 4.56 0.00 3.98 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 60 H 7.58 4.55 0.00 3.41 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.68 4.74 0.00 2.79 2.92 0.00 0.00 6.91 7.61 0.00 0.00 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 K 8.16 4.51 0.00 1.84 1.85 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.47 7.81 63 I 8.56 4.83 1.52 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.90 0.00 0.00 64 T 8.84 4.68 4.51 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 1.33 0.00 0.00 65 W 8.97 5.33 0.00 3.23 3.26 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 0.00 66 D 8.53 5.14 0.00 3.40 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 67 E 9.24 4.22 0.00 2.18 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 0.00 2.35 2.31 0.00 68 K 8.30 4.04 0.00 1.96 1.87 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.44 7.81 69 L 9.20 3.38 0.00 1.77 1.96 0.95 1.03 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 70 N 6.45 4.00 0.00 2.78 2.81 0.00 0.00 7.12 7.63 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 71 S 8.42 4.69 0.00 4.07 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 72 S 8.96 4.18 0.00 3.92 3.68 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 73 K 7.52 5.03 0.00 1.69 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 1.05 7.81 74 L 6.91 4.57 0.00 1.20 1.61 0.41 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.65 5.52 0.00 2.81 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 76 S 9.20 4.93 0.00 3.97 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 77 A 9.17 5.24 1.21 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 78 M 8.96 4.94 0.00 2.11 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 2.48 0.00 79 R 8.41 4.76 0.00 1.68 1.68 0.00 3.16 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.79 0.00 80 D 8.95 4.95 0.00 2.60 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 4.25 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 1.18 0.00 0.00 82 N 9.18 4.24 0.00 2.66 2.80 0.00 0.00 7.04 8.00 0.00 0.00 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 N 8.17 3.95 0.00 2.94 2.98 0.00 0.00 6.93 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 84 K 7.56 4.82 0.00 1.59 1.75 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.37 7.81 85 Y 9.31 4.76 0.00 2.90 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 86 V 8.70 4.50 2.21 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 0.91 0.00 0.00 0.99 0.00 0.00 87 L 9.09 4.47 0.00 0.27 0.13 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 88 T 9.10 4.90 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 1.17 0.00 0.00 89 L 9.08 5.00 0.00 1.29 1.43 0.29 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.53 4.31 0.00 2.69 2.71 0.00 0.00 6.22 5.12 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 91 K 8.82 3.61 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.39 7.81 92 F 8.88 4.34 0.00 3.02 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 93 S 8.18 4.94 0.00 4.05 4.01 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 94 K 8.47 4.14 0.00 1.83 1.89 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.51 7.81 95 E 7.81 4.36 0.00 2.02 2.02 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 2.37 2.37 0.00 96 N 7.76 4.53 0.00 2.81 2.59 0.00 0.00 6.87 8.48 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 97 E 7.60 4.93 0.00 2.46 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 0.00 2.42 2.57 0.00 98 G 7.69 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 0.00 0.00 0.00 0.00 99 Y 8.06 5.36 0.00 2.91 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 0.00 100 Y 8.74 5.73 0.00 3.11 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 0.00 101 F 9.25 5.31 0.00 3.24 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 0.00 102 C 8.66 4.59 0.00 2.17 1.18 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 0.00 103 S 8.68 5.05 0.00 3.70 3.49 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 0.00 104 V 8.15 4.64 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 0.86 0.00 0.00 0.68 0.00 0.00 105 I 8.25 4.92 1.83 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 1.10 0.69 0.87 0.00 0.00 106 S 8.92 4.58 0.00 3.88 3.94 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 0.00 0.00 0.00 107 N 9.80 4.04 0.00 2.89 2.83 0.00 0.00 7.23 7.57 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 0.00 108 S 7.91 4.06 0.00 4.01 4.01 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 0.00 109 V 7.41 3.83 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 1.04 0.00 0.00 110 M 8.15 4.55 0.00 1.34 1.84 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 111 Y 8.52 4.60 0.00 2.69 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 0.00 112 F 8.67 5.53 0.00 3.02 3.25 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 0.00 113 S 9.18 4.70 0.00 3.98 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 0.00 114 S 8.66 4.35 0.00 4.07 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 0.00 115 V 8.24 4.22 1.89 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 0.72 0.00 0.00 1.20 0.00 0.00 116 V 8.91 5.05 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 1.57 0.00 0.00 1.25 0.00 0.00 117 P 0.00 4.49 0.00 2.10 2.01 0.00 3.85 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 2.19 2.23 0.00 118 V 8.38 4.87 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 0.58 0.00 0.00 0.83 0.00 0.00 119 L 7.56 5.09 0.00 1.67 1.80 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.52 4.15 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 121 K 8.56 3.97 0.00 1.83 1.98 0.00 1.46 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.36 7.81 122 V 9.40 3.29 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 0.80 0.00 0.00 0.93 0.00 0.00 123 S 8.25 3.67 0.00 3.94 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 0.00 124 S 7.57 4.51 0.00 3.96 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 0.00 125 A 8.48 3.96 1.39 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