NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 3.8845 8.0549 120.3856 62.5327 32.4804 174.3873 6 L 4.2694 8.1852 127.5176 53.0333 42.9348 173.9921 7 Y 4.7132 9.1292 122.2138 56.4261 41.2397 174.8153 8 K 4.7890 8.1301 122.6743 55.2247 36.0126 174.7379 9 S 5.1420 8.1861 112.7637 58.5129 65.3772 174.6192 10 N 5.3462 8.7098 119.6721 52.1325 38.9910 174.6674 11 H 4.3009 8.9098 116.0464 58.6492 30.1710 176.4219 12 N 5.0239 8.2349 112.0425 52.6794 41.5276 174.2665 13 V 4.5852 9.0709 118.6376 60.8711 35.0609 174.1752 14 V 4.9856 8.4191 126.3506 61.4745 33.1338 174.1063 15 Y 4.9801 8.7459 124.9480 56.5787 42.1278 174.1983 16 S 4.5909 8.8112 114.7761 57.6702 64.0158 172.2774 17 C 4.6969 8.9343 125.3106 57.7940 30.6306 173.0012 18 K 5.0955 8.2332 123.3352 54.6456 35.0614 175.0926 19 Y 5.1216 9.4318 121.5145 56.5225 42.2383 173.8720 20 H 5.4146 9.7046 124.3995 55.0917 31.4407 173.4537 21 I 5.2056 9.3180 127.4127 59.6929 40.3886 175.1490 22 V 5.4083 9.3535 125.0769 60.4030 35.2573 173.8383 23 W 5.5776 8.1306 122.4288 55.5018 31.5404 173.1138 24 C 5.4228 8.8016 118.1310 57.3967 31.0700 172.1111 25 P 4.8791 0.0000 0.0000 61.6969 32.0370 176.0564 26 K 3.8058 8.6384 121.5309 58.5337 32.3080 176.4367 27 Y 3.8286 8.9302 120.1095 58.4494 35.6602 170.4344 28 R 3.9478 8.3186 115.8659 56.9819 28.2282 176.6311 29 R 4.0049 8.0281 117.1115 56.6788 30.8790 178.3651 30 K 4.5088 8.4595 123.9381 55.9974 30.4438 177.4438 31 V 4.1209 7.2924 109.7944 61.5558 33.0971 177.9166 32 L 4.3689 7.7749 122.0857 53.1958 40.1435 176.0821 33 V 4.5057 7.1309 114.1446 59.8785 37.3451 176.5246 34 G 3.7475 8.6110 109.9092 46.1765 0.0000 176.1070 35 A 4.0633 8.6486 121.2457 55.0790 18.0448 179.7863 36 V 2.8013 7.3257 116.3244 65.8654 31.8045 177.5422 37 E 3.9035 7.7684 118.7874 59.5772 29.5608 178.6453 38 M 4.0637 8.1064 118.4312 58.6138 32.0239 178.8943 39 R 4.0181 8.2299 118.2048 59.1972 30.2733 178.6473 40 L 4.0737 8.2558 120.3461 58.5450 42.0580 179.4182 41 K 4.1265 8.0435 117.5664 59.3096 31.9033 179.3612 42 E 4.0522 8.1041 118.7336 59.3544 29.3360 179.3317 43 I 3.7991 8.1490 120.1404 64.5858 37.1349 178.6483 44 I 3.9068 7.9850 120.6242 64.3108 36.7812 178.6202 45 Q 4.0651 8.2577 119.2406 58.8163 28.5675 178.2952 46 E 3.9896 8.3783 119.6854 59.4983 29.5994 179.5267 47 V 3.6487 8.2472 118.1745 66.1147 31.6206 177.8257 48 A 4.1636 8.4591 120.5975 55.0029 18.0976 179.3148 49 K 3.8168 8.4406 118.6972 59.8052 32.1467 178.7395 50 E 4.1823 8.1841 115.4041 58.1498 29.6769 177.7249 51 L 4.3526 7.4922 118.6598 53.2218 42.3018 176.1357 52 R 3.7151 7.4484 116.3270 57.2717 28.2561 176.0541 53 V 4.1998 7.9339 116.3356 61.1849 33.6078 174.4613 54 E 4.4627 8.4188 128.0154 54.7092 31.2676 174.8093 55 I 4.3154 8.2975 128.8201 60.6139 36.9440 175.8639 56 I 3.9957 8.9719 130.2050 64.1011 37.7527 176.5508 57 E 4.7416 7.9581 119.7825 55.5768 33.0570 174.3278 58 M 5.0952 8.3691 125.2279 55.0450 34.9024 173.4856 59 Q 4.8244 9.0590 124.6360 54.5555 34.0269 174.0277 60 T 5.1376 8.1190 110.1397 60.7332 72.5274 172.1640 61 D 4.6308 9.1543 118.1663 53.2557 42.4829 178.2021 62 K 4.8103 7.5785 120.5868 59.1029 32.4692 177.6733 63 D 5.2369 7.8461 114.9462 52.7812 40.0629 174.7517 64 H 5.1174 8.5564 115.3316 55.0509 33.9834 172.1953 65 I 4.6329 8.0450 120.5017 59.5128 41.1625 173.5198 66 H 5.3555 9.2629 126.8889 54.1837 31.2581 173.7376 67 I 4.9975 8.9962 123.5558 59.4524 41.6086 174.0167 68 L 5.1980 9.1940 129.2169 53.5592 43.6799 174.6831 69 A 5.2410 9.3332 128.7870 50.0552 22.7457 174.0089 70 D 5.3060 8.9124 120.7845 52.8818 43.0803 175.2715 71 I 4.8549 8.8020 126.7660 58.9976 40.9853 175.1500 72 D 3.5175 8.7608 125.7660 53.5134 41.4364 174.9647 73 P 4.2787 0.0000 0.0000 66.4915 31.1038 178.3808 74 S 4.2427 7.9059 113.1937 60.7481 62.8493 176.0843 75 F 4.3479 8.2481 123.2829 60.4851 39.4931 176.0898 76 G 3.9028 7.8932 107.4924 45.4430 0.0000 174.8505 77 V 3.5302 8.3588 124.8414 65.1724 31.3240 178.4833 78 M 3.9349 7.7844 118.8385 57.8598 31.7975 178.3803 79 K 3.8673 7.7894 119.4576 59.1433 32.2024 178.5951 80 F 4.3319 7.8900 120.9036 61.4279 39.3751 177.1749 81 I 3.1016 7.9418 119.7487 64.0899 36.8766 178.2358 82 K 3.5996 8.1946 120.6692 59.8195 31.8596 178.9906 83 T 3.8139 7.5675 115.2743 66.4057 68.4602 176.7740 84 A 3.8804 7.6631 122.8589 54.8822 18.2571 179.9134 85 K 3.2975 7.5774 117.2019 59.2116 32.0822 179.6051 86 G 3.7320 7.8281 105.9021 48.0743 0.0000 175.5791 87 R 3.9686 8.3100 122.1263 58.9577 30.1255 178.6482 88 S 4.2652 8.1962 114.0455 61.4698 62.9658 176.4018 89 S 3.9078 8.8356 117.1035 61.1023 61.8806 175.9099 90 R 3.8880 8.0188 121.2483 59.6075 29.8132 178.5269 91 I 3.7732 8.0551 119.4883 64.5188 37.2048 178.4746 92 L 4.2414 8.4051 120.2142 58.0462 41.2500 179.9097 93 R 4.1774 7.9198 116.8059 59.0046 29.9670 178.6670 94 Q 4.1690 7.5336 116.9992 58.3553 28.9073 177.5948 95 E 4.2586 8.0198 118.7339 56.8010 30.2776 176.2613 96 F 4.5999 8.5547 118.8758 55.0412 39.5920 175.0087 97 N 4.1954 8.8779 125.4079 57.2238 38.4477 175.8586 98 H 4.3469 8.4269 115.5489 58.3061 28.4645 177.0874 99 L 4.0409 7.8748 120.8140 56.2500 41.5587 178.4332 100 K 4.1725 7.7120 118.9010 58.9458 32.7709 178.0055 101 T 4.2096 7.8044 107.9296 62.9765 69.2104 175.3372 102 K 4.5072 7.6794 118.7527 56.0531 33.1487 176.0191 103 L 4.9719 7.4493 118.1547 52.2050 45.4604 174.7996 104 P 4.4754 0.0000 0.0000 65.4394 31.9069 176.5066 105 T 4.5461 7.1559 106.1396 60.0402 71.4844 173.3460 106 L 3.6558 8.3897 125.3339 57.0193 42.2793 176.5980 107 W 5.1534 7.5116 116.4563 55.1834 31.7358 173.8380 108 T 4.5502 8.2942 109.7302 60.3765 70.3972 173.6804 109 N 4.5329 8.5509 117.1100 53.3215 37.8803 174.2806 110 S 4.7480 7.3469 113.7463 57.0069 65.6277 171.8707 111 C 4.9105 7.8020 113.5580 57.9086 31.9392 172.6898 112 F 4.9108 9.4874 121.7832 56.4188 41.7230 173.7532 113 I 4.9627 7.6438 125.6418 59.5041 40.5202 174.6517 114 S 4.6542 9.0998 121.6087 56.3970 65.4108 173.4417 115 T 4.3981 8.6059 117.1600 61.8273 69.6926 173.9229 116 V 4.3942 8.4323 122.5046 61.6295 34.9199 174.6248 117 G 4.2278 8.3097 114.9484 43.9751 0.0000 172.0402 118 G 3.6251 8.6202 106.2939 46.9925 0.0000 173.4771 119 A 4.1132 6.6347 120.7048 49.0192 22.3383 173.7716 120 P 4.2381 0.0000 0.0000 61.9802 32.3807 177.0457 121 L 3.8043 8.5404 121.2893 58.8097 41.7881 179.0138 122 N 4.2791 8.1522 115.9820 56.0606 36.7546 177.1119 123 V 3.4496 7.5870 120.2766 65.9149 31.6604 178.2446 124 V 3.6752 7.5958 117.5283 65.6418 31.3537 177.5858 125 K 3.9020 8.4165 119.9293 59.6280 32.0587 178.5074 126 Q 3.9475 8.1226 119.6683 59.3122 28.5279 177.3613 127 Y 4.0895 8.3436 120.7831 60.9602 38.4017 178.3685 128 I 3.6120 8.0503 120.7716 64.2727 37.0374 178.2043 129 E 4.0325 7.9956 116.8637 58.8714 29.8410 178.3569 130 N 5.1668 8.3408 118.7803 55.0953 38.3664 177.6184 131 Q 3.5651 6.9944 119.1860 58.7362 28.6991 178.8282 132 Q 4.2432 7.8067 113.4344 57.0394 29.9957 175.2182 133 N 4.6146 7.9935 118.4442 53.3652 37.6978 175.5880 134 S 3.5788 7.6901 115.0172 59.8396 62.2583 172.1943 135 N 4.4856 8.7343 122.9944 54.6545 37.5328 176.2852 136 R 4.5300 8.0007 123.7641 52.8014 30.6948 171.0002 137 P 4.5272 0.0000 0.0000 62.4294 32.2208 177.8088 138 K 4.3311 8.7048 121.6107 57.3825 31.8436 177.9759 139 Q 4.5972 7.6467 117.2634 55.7105 32.1835 174.3614 140 K 4.1623 8.8576 119.4572 58.0446 31.8712 173.5220 141 E 4.6037 7.8740 115.5795 55.5491 32.0843 175.4035 142 K 3.5885 8.2161 117.4556 57.3174 32.2077 176.2402 143 W 3.7184 8.2696 124.8344 57.6828 26.9433 177.1859 144 K 4.0374 8.1382 120.2513 59.7576 31.7636 177.7064 145 S 4.1946 8.1901 114.1323 61.6282 62.6686 175.8160 146 Y 4.0173 8.0958 122.4687 60.5471 38.6994 177.7301 147 V 3.3551 7.9436 119.1451 65.9401 31.6922 177.6078 148 D 4.3284 8.4740 118.9613 57.5157 40.7650 178.1864 149 N 4.2278 8.0207 117.3853 56.5662 38.8632 176.4919 150 L 3.6057 7.7505 121.6481 58.1709 41.8837 178.7327 151 Q 4.2070 7.7916 118.0819 58.6824 28.5607 179.1417 152 T 3.9885 7.7329 116.1714 66.7728 68.3353 177.0449 153 K 3.8924 8.2605 118.9829 58.4299 31.9631 178.0961 154 A 4.5427 7.9255 119.8971 51.8637 19.8880 176.7307 155 L 4.1166 7.3640 128.0582 56.8203 42.1697 176.3816 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 5 V 8.05 3.88 1.90 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 0.27 0.00 0.00 1.07 0.00 0.00 6 L 8.19 4.27 0.00 1.62 1.49 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.13 4.71 0.00 2.73 2.72 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 8 K 8.13 4.79 0.00 0.79 1.48 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.11 7.81 9 S 8.19 5.14 0.00 3.94 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 10 N 8.71 5.35 0.00 3.04 3.27 0.00 0.00 6.82 7.21 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 11 H 8.91 4.30 0.00 3.18 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.23 5.02 0.00 2.85 2.80 0.00 0.00 6.65 7.56 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 13 V 9.07 4.59 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 1.08 0.00 0.00 0.98 0.00 0.00 14 V 8.42 4.99 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 0.81 0.00 0.00 0.90 0.00 0.00 15 Y 8.75 4.98 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.81 4.59 0.00 3.55 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 17 C 8.93 4.70 0.00 3.45 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 18 K 8.23 5.10 0.00 1.82 1.63 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.51 7.81 19 Y 9.43 5.12 0.00 2.90 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 20 H 9.70 5.41 0.00 3.24 3.42 0.00 5.55 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.32 5.21 2.07 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 1.22 0.00 0.00 22 V 9.35 5.41 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 0.41 0.00 0.00 0.82 0.00 0.00 23 W 8.13 5.58 0.00 3.22 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 24 C 8.80 5.42 0.00 2.95 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 25 P 0.00 4.88 0.00 2.31 1.87 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 26 K 8.64 3.81 0.00 1.67 1.45 0.00 1.29 0.00 0.00 1.54 0.00 0.00 2.55 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.78 0.21 7.81 27 Y 8.93 3.83 0.00 3.19 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 28 R 8.32 3.95 0.00 2.02 2.04 0.00 3.33 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 29 R 8.03 4.00 0.00 1.84 1.92 0.00 3.38 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 30 K 8.46 4.51 0.00 1.75 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 31 V 7.29 4.12 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 0.72 0.00 0.00 0.87 0.00 0.00 32 L 7.77 4.37 0.00 1.84 1.65 1.13 1.00 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 33 V 7.13 4.51 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 0.90 0.00 0.00 0.95 0.00 0.00 34 G 8.61 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 35 A 8.65 4.06 1.54 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 36 V 7.33 2.80 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 0.90 0.00 0.00 0.09 0.00 0.00 37 E 7.77 3.90 0.00 2.07 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 0.00 2.31 2.36 0.00 38 M 8.11 4.06 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 39 R 8.23 4.02 0.00 2.03 2.16 0.00 3.60 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.16 0.00 40 L 8.26 4.07 0.00 1.91 2.03 1.38 0.89 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 41 K 8.04 4.13 0.00 2.04 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.63 7.81 42 E 8.10 4.05 0.00 2.24 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 2.37 2.55 0.00 43 I 8.15 3.80 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.86 1.02 0.00 0.00 44 I 7.98 3.91 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.96 1.11 0.00 0.00 45 Q 8.26 4.07 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 46 E 8.38 3.99 0.00 2.37 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 0.00 2.37 2.37 0.00 47 V 8.25 3.65 2.33 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 1.11 0.00 0.00 1.03 0.00 0.00 48 A 8.46 4.16 1.56 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 0.00 0.00 49 K 8.44 3.82 0.00 2.04 1.96 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.62 7.81 50 E 8.18 4.18 0.00 2.20 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 2.59 2.47 0.00 51 L 7.49 4.35 0.00 1.93 1.68 1.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.45 3.72 0.00 1.68 1.90 0.00 3.00 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 53 V 7.93 4.20 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 0.12 0.00 0.00 0.65 0.00 0.00 54 E 8.42 4.46 0.00 2.07 1.78 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 2.20 2.25 0.00 55 I 8.30 4.32 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.97 0.00 0.00 56 I 8.97 4.00 1.97 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 1.10 0.46 0.90 0.00 0.00 57 E 7.96 4.74 0.00 2.04 1.72 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 2.25 2.33 0.00 58 M 8.37 5.10 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 59 Q 9.06 4.82 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.30 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 60 T 8.12 5.14 4.34 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 0.00 0.00 0.00 1.19 0.00 0.00 61 D 9.15 4.63 0.00 2.88 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 62 K 7.58 4.81 0.00 1.85 1.86 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.44 7.81 63 D 7.85 5.24 0.00 2.67 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 64 H 8.56 5.12 0.00 3.28 3.02 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.04 4.63 1.59 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.27 -0.48 0.00 0.00 66 H 9.26 5.36 0.00 3.14 3.20 0.00 5.61 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 67 I 9.00 5.00 1.96 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 1.08 0.68 1.07 0.00 0.00 68 L 9.19 5.20 0.00 1.74 1.55 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.33 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.91 5.31 0.00 2.80 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 71 I 8.80 4.85 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.79 1.00 0.00 0.00 72 D 8.76 3.52 0.00 2.60 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 73 P 0.00 4.28 0.00 2.22 2.16 0.00 2.43 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 74 S 7.91 4.24 0.00 3.99 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 75 F 8.25 4.35 0.00 2.96 3.28 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 76 G 7.89 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 0.00 0.00 0.00 77 V 8.36 3.53 0.97 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 0.61 0.00 0.00 0.52 0.00 0.00 78 M 7.78 3.93 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 79 K 7.79 3.87 0.00 1.39 1.27 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.24 7.81 80 F 7.89 4.33 0.00 3.32 3.33 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 81 I 7.94 3.10 1.68 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 1.48 0.71 0.45 0.00 0.00 82 K 8.19 3.60 0.00 1.62 1.91 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 83 T 7.57 3.81 4.31 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 1.23 0.00 0.00 84 A 7.66 3.88 0.96 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 85 K 7.58 3.30 0.00 1.22 1.16 0.00 0.61 0.00 0.00 0.75 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 86 G 7.83 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 0.00 0.00 0.00 87 R 8.31 3.97 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 88 S 8.20 4.27 0.00 4.49 4.42 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 89 S 8.84 3.91 0.00 4.11 4.17 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 90 R 8.02 3.89 0.00 1.99 2.18 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 91 I 8.06 3.77 1.95 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 1.56 0.64 0.97 0.00 0.00 92 L 8.41 4.24 0.00 1.73 1.77 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.92 4.18 0.00 1.93 1.98 0.00 3.03 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 94 Q 7.53 4.17 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 95 E 8.02 4.26 0.00 1.81 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 2.21 2.51 0.00 96 F 8.55 4.60 0.00 3.10 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 97 N 8.88 4.20 0.00 2.83 2.89 0.00 0.00 6.85 7.89 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 98 H 8.43 4.35 0.00 3.42 3.56 0.00 5.50 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.87 4.04 0.00 1.66 1.62 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.71 4.17 0.00 1.92 1.94 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.47 7.81 101 T 7.80 4.21 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 1.29 0.00 0.00 102 K 7.68 4.51 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.62 7.81 103 L 7.45 4.97 0.00 1.72 1.64 0.83 1.20 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 0.00 104 P 0.00 4.48 0.00 2.18 2.23 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 105 T 7.16 4.55 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 0.00 106 L 8.39 3.66 0.00 1.31 0.86 0.45 0.32 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 0.00 107 W 7.51 5.15 0.00 3.17 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 0.00 108 T 8.29 4.55 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 1.32 0.00 0.00 109 N 8.55 4.53 0.00 2.79 2.94 0.00 0.00 5.77 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 0.00 110 S 7.35 4.75 0.00 4.02 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 0.00 111 C 7.80 4.91 0.00 3.23 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.49 4.91 0.00 3.14 3.02 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 0.00 113 I 7.64 4.96 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.98 0.00 0.00 114 S 9.10 4.65 0.00 3.78 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 0.00 115 T 8.61 4.40 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 1.09 0.00 0.00 116 V 8.43 4.39 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 0.73 0.00 0.00 0.99 0.00 0.00 117 G 8.31 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.62 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 0.00 0.00 0.00 119 A 6.63 4.11 -0.31 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 0.00 120 P 0.00 4.24 0.00 2.21 2.01 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.32 0.00 121 L 8.54 3.80 0.00 1.71 1.68 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.15 4.28 0.00 2.92 3.05 0.00 0.00 5.76 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 0.00 123 V 7.59 3.45 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 0.97 0.00 0.00 0.09 0.00 0.00 124 V 7.60 3.68 2.19 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 1.06 0.00 0.00 0.97 0.00 0.00 125 K 8.42 3.90 0.00 2.00 1.88 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 126 Q 8.12 3.95 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 127 Y 8.34 4.09 0.00 3.09 3.19 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 0.00 128 I 8.05 3.61 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.07 0.90 0.00 0.00 129 E 8.00 4.03 0.00 2.12 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 0.00 2.50 2.34 0.00 130 N 8.34 5.17 0.00 2.79 2.83 0.00 0.00 7.18 6.92 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 0.00 131 Q 6.99 3.57 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 132 Q 7.81 4.24 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.68 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 133 N 7.99 4.61 0.00 2.90 3.03 0.00 0.00 6.88 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 0.00 134 S 7.69 3.58 0.00 4.01 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 0.00 135 N 8.73 4.49 0.00 2.67 2.78 0.00 0.00 6.46 7.65 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 0.00 136 R 8.00 4.53 0.00 1.81 1.67 0.00 3.34 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 137 P 0.00 4.53 0.00 2.08 2.09 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 138 K 8.70 4.33 0.00 1.77 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.04 7.81 139 Q 7.65 4.60 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 140 K 8.86 4.16 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.04 7.81 141 E 7.87 4.60 0.00 1.88 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 0.00 2.27 2.22 0.00 142 K 8.22 3.59 0.00 1.82 1.80 0.00 1.34 0.00 0.00 1.25 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.40 7.81 143 W 8.27 3.72 0.00 3.73 3.23 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 0.00 144 K 8.14 4.04 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.50 7.81 145 S 8.19 4.19 0.00 4.15 4.16 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 0.00 146 Y 8.10 4.02 0.00 3.15 3.29 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 0.00 147 V 7.94 3.36 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 1.22 0.00 0.00 1.13 0.00 0.00 148 D 8.47 4.33 0.00 2.83 2.71 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 0.00 149 N 8.02 4.23 0.00 2.89 2.96 0.00 0.00 6.94 6.71 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 0.00 150 L 7.75 3.61 0.00 1.24 1.22 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.79 4.21 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 152 T 7.73 3.99 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 1.18 0.00 0.00 153 K 8.26 3.89 0.00 1.29 1.31 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.66 1.33 7.81 154 A 7.93 4.54 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 0.00 155 L 7.36 4.12 0.00 1.91 1.59 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00