NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9317 8.3393 109.7329 46.0492 0.0000 172.1004 4 M 4.3296 7.7127 114.8391 53.9196 34.3619 172.1772 5 R 4.5522 8.4415 118.7451 55.8987 32.2637 177.0417 6 V 4.8186 8.3491 123.3200 61.2722 34.6882 173.7574 7 Y 4.7574 9.0954 126.9540 57.3256 39.3306 174.5212 8 L 5.3267 9.2654 124.8462 52.9204 44.8741 175.8454 9 G 4.6436 8.9331 109.4383 44.6987 0.0000 171.2500 10 A 5.7479 9.0535 123.9131 51.0514 23.5917 176.2252 11 D 4.7244 8.5151 119.8384 52.1643 41.6453 176.6636 12 H 4.1341 9.0836 114.4179 59.0936 27.8015 177.2771 13 A 4.2984 7.8516 122.5475 53.7091 18.4269 178.6999 14 G 4.0162 7.8819 101.8884 44.5028 0.0000 174.5388 15 Y 4.0337 7.6205 122.4998 60.8492 38.9804 178.1334 16 E 3.8372 8.2671 118.9011 59.1401 29.5577 178.9561 17 L 3.8977 7.8066 119.9419 57.8658 42.1519 178.5007 18 K 3.7722 8.2585 120.0063 59.9203 32.1640 178.7164 19 Q 3.8242 7.7536 117.9680 58.7668 28.5087 178.7950 20 R 3.8737 7.7637 119.4101 59.3980 30.0383 178.6900 21 I 3.7482 8.0721 120.0490 64.2580 37.0368 178.3638 22 I 3.6647 7.9448 120.9293 64.3769 36.9848 178.0217 23 E 3.8889 8.0239 119.7432 59.5926 29.4830 178.2256 24 H 4.1464 8.3324 118.2103 59.4241 29.8204 177.2378 25 L 4.2108 8.2616 122.4137 56.9140 41.4191 179.5115 26 K 4.0539 8.2022 118.6079 59.8458 31.8759 179.3760 27 Q 4.0765 7.9195 116.7726 58.5424 28.6787 178.0853 28 T 4.4278 7.7430 109.4917 61.2426 68.7961 175.8564 29 G 3.8161 7.9552 108.5653 46.2887 0.0000 173.1765 30 H 4.7444 8.1124 116.4903 54.1361 31.6115 174.9180 31 E 4.5932 9.0468 121.9388 53.6967 29.6124 172.2186 32 P 4.8710 0.0000 0.0000 62.2399 32.8494 175.9225 33 I 4.3807 8.9420 123.9147 59.4876 40.0656 174.1661 34 D 4.9606 8.7741 128.0029 53.7735 41.1303 175.7486 35 C 4.4350 9.6698 124.8064 60.1130 28.9100 174.3735 36 G 3.9240 8.9559 106.1820 44.1220 0.0000 173.0133 37 A 3.8803 7.1337 122.7392 51.8743 18.5983 178.3772 38 L 4.3234 8.4369 121.8084 56.4428 42.2763 176.7836 39 R 4.5802 7.2780 115.9184 52.8337 33.3672 173.4329 40 Y 3.3133 7.6529 122.4199 57.1074 38.9617 174.6250 41 D 4.3268 7.6810 126.1217 51.8507 42.8210 175.3459 42 A 3.3875 8.1943 130.5962 54.7019 18.3386 177.5617 43 D 4.6160 7.9250 113.1727 54.1053 41.4645 176.5824 44 D 4.6185 7.8519 119.3976 53.1450 40.1441 175.2711 45 D 4.9661 8.3828 120.0124 52.4061 42.8190 176.7165 46 Y 4.5551 8.6331 123.5910 59.6488 37.9260 176.3892 47 P 4.2237 0.0000 0.0000 65.5244 31.4415 178.0431 48 A 3.8575 7.7085 118.5786 55.3680 18.1873 179.5760 49 F 4.3571 7.6000 115.5682 60.8160 38.9739 177.6283 50 C 4.2812 8.1497 116.5000 62.7915 28.0321 176.0314 51 I 3.6870 8.2529 121.6418 64.2401 36.6644 178.3231 52 A 3.9266 8.1458 121.2526 55.0981 18.3089 179.4550 53 A 3.9764 8.1734 118.9939 55.3660 18.4514 179.7686 54 A 3.9516 8.3253 119.5292 55.5578 18.4567 179.9606 55 T 3.7478 8.0432 114.3770 66.9458 68.3207 177.1576 56 R 3.6622 7.5922 118.5504 59.2016 30.2783 179.0719 57 T 4.1590 7.5521 116.8348 66.1929 68.3031 177.0195 58 V 3.5917 7.6920 118.6326 65.8351 31.6263 177.5198 59 A 4.3790 7.8542 119.0312 52.6674 18.7523 176.5553 60 D 4.7173 7.5342 117.0292 51.3732 41.4558 173.3600 61 P 4.4264 0.0000 0.0000 63.9118 31.7160 177.4626 62 G 3.9369 8.9819 110.8450 45.3842 0.0000 173.2304 63 S 4.8537 7.8284 114.9164 57.4891 65.5515 172.8259 64 L 5.2266 8.7610 119.6526 53.0962 46.2025 175.6941 65 G 4.7229 9.5384 106.1138 45.0155 0.0000 171.9454 66 I 5.1307 9.2789 122.4641 59.4286 41.4207 174.6522 67 V 5.0361 8.8985 120.4975 59.4990 34.9210 174.7861 68 L 5.4909 8.5718 124.2997 52.2975 45.5581 176.1620 69 G 4.2419 7.6121 108.3276 45.3058 0.0000 172.2259 70 G 3.8604 9.1181 106.2793 49.1939 0.0000 176.1900 71 S 4.3150 8.1341 115.0611 57.5447 64.2790 175.4208 72 G 3.9495 8.1597 109.1188 45.6250 0.0000 175.0603 73 N 4.3562 8.3043 117.8944 56.2942 38.5929 177.4902 74 G 3.2099 7.7343 106.5115 47.5838 0.0000 175.4473 75 E 4.0891 7.7387 120.4968 59.2843 29.5837 179.1226 76 Q 4.0440 8.0504 117.8072 59.1372 28.4239 178.5724 77 I 3.6721 7.6471 120.7273 64.1379 37.4057 177.8430 78 A 4.1946 8.2697 121.2736 55.2807 18.2882 179.5075 79 A 4.0037 8.2163 119.2616 55.4476 18.2489 179.4726 80 N 4.4906 8.3484 113.7355 55.5961 38.7020 177.2597 81 K 4.2367 7.7184 118.8529 57.1462 32.5932 177.2972 82 V 3.7675 7.4088 121.0122 61.4313 31.9364 173.5273 83 P 5.1985 0.0000 0.0000 63.7127 31.5379 176.8539 84 G 3.9248 9.2254 111.1197 45.3408 0.0000 173.6188 85 A 4.3375 7.6307 122.5732 51.7623 19.3019 177.2760 86 R 4.6010 9.4065 120.5646 54.6939 33.4272 174.2800 87 C 5.4967 9.8192 125.6976 56.5928 33.1979 173.5442 88 A 4.3957 8.5256 128.2929 51.4441 20.2507 175.3644 89 L 4.8761 8.4247 121.2278 53.7711 43.1856 175.5154 90 A 4.6800 8.7108 129.7773 50.1012 19.8759 176.3659 91 W 4.8195 8.2016 118.5546 55.9584 29.2146 175.5555 92 S 4.3904 6.9446 113.1951 56.5205 66.0382 175.5972 93 V 3.5003 7.9971 121.1205 66.0385 31.1074 177.5882 94 Q 3.8547 7.7829 119.0448 59.4430 28.9574 178.3065 95 T 3.7310 7.3508 110.0959 64.3558 68.3791 176.5355 96 A 3.9771 7.9512 123.4648 54.8959 18.3241 179.5029 97 A 3.9728 8.1005 119.1937 55.4602 18.5593 179.9243 98 L 3.8525 8.2198 117.6238 57.5771 41.5152 179.4009 99 A 4.0297 8.0434 120.9264 55.4323 18.1772 180.0019 100 R 3.9072 7.7892 115.6000 59.4725 30.2107 178.9915 101 E 4.2662 8.5658 120.7309 58.8110 29.4631 177.9899 102 H 4.1937 8.7396 114.3941 57.3994 29.6960 175.8573 103 N 4.6311 8.2463 112.7743 52.4296 39.2303 174.0692 104 N 3.9082 8.1434 115.4674 53.8901 37.3082 173.9998 105 A 4.2192 8.0236 119.7064 52.3148 19.1238 178.5762 106 Q 4.3490 8.7501 121.9962 57.6755 30.3986 175.8004 107 L 6.2000 8.3685 118.5455 51.6946 46.1052 175.6355 108 I 4.8228 7.7084 113.5861 59.0354 41.2022 174.2724 109 G 4.8177 9.0524 111.4296 46.0742 0.0000 172.6812 110 I 4.9071 8.0897 122.8649 59.0428 41.7898 174.7121 111 G 3.9855 8.7976 113.8982 45.3680 0.0000 174.6631 112 G 3.8853 9.5172 115.2662 48.6674 0.0000 174.0036 113 R 4.5523 8.2390 117.5947 56.7362 30.2228 177.1740 114 M 4.4090 7.9707 117.4492 55.4487 33.5616 175.3911 115 H 5.1702 7.6580 114.0552 52.9862 33.1262 173.5302 116 T 4.1928 8.9980 112.6089 61.2731 70.6951 175.8449 117 V 3.5153 8.3140 120.7166 66.2230 31.5265 177.8101 118 A 3.9750 8.0199 119.8245 55.3249 18.1975 179.2912 119 E 3.8463 8.2748 116.6110 59.5550 29.5961 179.4343 120 A 3.9354 8.1730 120.8816 55.2326 18.3359 179.7419 121 L 3.8756 8.4558 117.6736 57.5712 41.6505 179.4082 122 A 3.9618 7.9115 120.8359 55.1831 18.3139 179.5474 123 I 3.5729 7.6805 118.1584 64.6299 37.1905 178.5707 124 V 3.6834 7.8038 118.7618 66.3245 31.1757 177.7449 125 D 4.3731 8.4419 118.3720 57.3460 40.6962 178.5901 126 A 3.9997 8.1047 121.2108 55.0946 18.1501 179.4326 127 F 4.2004 8.0817 117.8787 61.6318 39.6757 177.3601 128 V 3.6265 7.9188 109.3134 62.5381 31.6356 176.7675 129 T 4.3953 7.4455 107.1225 61.7111 70.2658 174.6293 130 T 4.2202 7.5859 120.0681 62.1590 69.2951 172.9362 131 P 4.4978 0.0000 0.0000 61.3883 32.2718 175.6517 132 W 4.9599 8.9555 131.2940 57.0655 31.0818 176.3933 133 S 3.8614 8.2487 120.7230 59.3659 62.5798 175.3184 134 K 2.7436 5.6600 116.2103 56.3809 29.5267 175.9603 135 A 3.9875 6.9049 121.4687 51.5414 20.0310 178.6591 136 Q 3.9038 8.6355 124.1198 59.6227 29.2279 179.7708 137 R 3.9210 7.8326 116.2553 59.5042 29.5429 178.3816 138 H 4.4258 7.9938 116.5331 58.7988 28.8284 177.3037 139 Q 4.2389 8.4355 121.5183 59.1898 28.9169 178.2175 140 R 3.9188 8.3715 119.9842 59.6200 30.1206 178.8066 141 R 3.9979 8.0210 117.4670 59.3118 29.9961 179.1087 142 I 3.7429 7.9406 119.6728 64.3869 37.0310 178.2141 143 D 4.3692 8.4231 119.9335 57.4391 40.6619 178.8006 144 I 3.7299 7.8718 120.2547 64.4132 37.0647 178.2857 145 L 4.0313 8.0418 120.8847 58.1096 42.0318 178.8332 146 A 4.0081 8.3464 121.0497 55.1018 18.2782 179.2627 147 E 3.9212 8.4941 118.0460 59.4819 29.7211 178.3839 148 Y 4.0786 8.1532 119.7160 60.7913 38.8711 177.8345 149 E 3.9807 8.5491 119.6423 59.3531 29.2718 179.3991 150 R 3.8811 7.6067 117.8364 58.5929 30.3035 177.5845 151 T 4.3657 7.5506 106.6200 60.5292 70.3392 174.0477 152 H 3.2145 7.8495 116.8379 56.2053 27.0221 174.2424 153 E 4.2478 8.0409 119.1131 55.1007 29.0139 176.6642 154 A 4.2340 8.7102 128.3295 51.2205 18.9232 175.3188 155 P 4.4639 0.0000 0.0000 61.8082 32.0687 174.6175 156 P 4.3975 0.0000 0.0000 62.6128 32.0551 176.0740 157 V 3.8941 8.0632 120.5459 61.3295 32.3355 174.0363 158 P 4.0814 0.0000 0.0000 63.1103 31.6675 176.5719 *159 G 3.7274 8.6317 110.9001 45.8382 0.0000 172.3042 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 3 G 8.34 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 4 M 7.71 4.33 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 5 R 8.44 4.55 0.00 1.73 1.55 0.00 3.02 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 6 V 8.35 4.82 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 1.11 0.00 0.00 0.92 0.00 0.00 7 Y 9.10 4.76 0.00 3.11 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 8 L 9.27 5.33 0.00 1.60 1.55 0.96 0.61 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 9 G 8.93 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.05 5.75 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 11 D 8.52 4.72 0.00 3.20 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 12 H 9.08 4.13 0.00 2.83 3.39 0.00 5.26 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.85 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 14 G 7.88 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 15 Y 7.62 4.03 0.00 3.26 3.31 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 16 E 8.27 3.84 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 17 L 7.81 3.90 0.00 1.74 1.78 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.26 3.77 0.00 1.83 1.83 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.45 7.81 19 Q 7.75 3.82 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 1.62 2.03 0.00 20 R 7.76 3.87 0.00 2.01 2.06 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 21 I 8.07 3.75 1.98 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 1.51 0.67 0.92 0.00 0.00 22 I 7.94 3.66 1.99 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 1.38 0.68 0.89 0.00 0.00 23 E 8.02 3.89 0.00 2.10 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 2.30 2.37 0.00 24 H 8.33 4.15 0.00 3.35 3.48 0.00 5.83 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 25 L 8.26 4.21 0.00 1.85 1.71 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.20 4.05 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.68 7.81 27 Q 7.92 4.08 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.17 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 28 T 7.74 4.43 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 1.10 0.00 0.00 29 G 7.96 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 0.00 0.00 0.00 30 H 8.11 4.74 0.00 3.10 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.05 4.59 0.00 1.93 1.75 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 2.13 2.18 0.00 32 P 0.00 4.87 0.00 2.08 2.01 0.00 3.73 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 1.96 2.18 0.00 33 I 8.94 4.38 1.45 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.71 1.02 0.00 0.00 34 D 8.77 4.96 0.00 2.70 2.63 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 C 9.67 4.44 0.00 3.13 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 36 G 8.96 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 0.00 0.00 0.00 37 A 7.13 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 38 L 8.44 4.32 0.00 1.71 1.81 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.28 4.58 0.00 1.68 1.65 0.00 3.04 0.00 0.00 3.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 40 Y 7.65 3.31 0.00 2.50 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 41 D 7.68 4.33 0.00 2.51 2.48 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 42 A 8.19 3.39 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 43 D 7.93 4.62 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 44 D 7.85 4.62 0.00 2.98 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 45 D 8.38 4.97 0.00 2.54 2.43 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 46 Y 8.63 4.56 0.00 3.36 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.22 0.00 1.96 2.03 0.00 3.05 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 1.66 1.46 0.00 48 A 7.71 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.60 4.36 0.00 3.26 3.22 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 50 C 8.15 4.28 0.00 3.16 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 51 I 8.25 3.69 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.89 0.00 0.00 52 A 8.15 3.93 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 53 A 8.17 3.98 1.49 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 0.00 0.00 54 A 8.33 3.95 1.37 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 0.00 0.00 0.00 55 T 8.04 3.75 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 1.16 0.00 0.00 56 R 7.59 3.66 0.00 1.17 0.84 0.00 3.16 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 57 T 7.55 4.16 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 1.37 0.00 0.00 58 V 7.69 3.59 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 0.78 0.00 0.00 0.96 0.00 0.00 59 A 7.85 4.38 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 60 D 7.53 4.72 0.00 2.88 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 61 P 0.00 4.43 0.00 2.10 2.00 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 62 G 8.98 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 0.00 0.00 0.00 63 S 7.83 4.85 0.00 4.30 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 64 L 8.76 5.23 0.00 1.61 1.72 0.36 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.54 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 66 I 9.28 5.13 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.84 0.84 0.00 0.00 67 V 8.90 5.04 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 0.80 0.00 0.00 1.02 0.00 0.00 68 L 8.57 5.49 0.00 1.56 1.49 0.95 0.65 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 69 G 7.61 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.12 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 71 S 8.13 4.31 0.00 3.92 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 72 G 8.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.30 4.36 0.00 2.68 2.80 0.00 0.00 6.75 6.94 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 74 G 7.73 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 0.00 0.00 0.00 75 E 7.74 4.09 0.00 2.18 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 2.47 2.48 0.00 76 Q 8.05 4.04 0.00 2.50 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.71 0.00 77 I 7.65 3.67 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.96 0.00 0.00 78 A 8.27 4.19 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 79 A 8.22 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.35 4.49 0.00 2.93 2.92 0.00 0.00 7.09 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 81 K 7.72 4.24 0.00 1.85 1.89 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.61 7.81 82 V 7.41 3.77 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 0.94 0.00 0.00 0.98 0.00 0.00 83 P 0.00 5.20 0.00 2.06 1.97 0.00 3.80 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 84 G 9.23 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 0.00 0.00 0.00 85 A 7.63 4.34 1.34 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 0.00 0.00 0.00 86 R 9.41 4.60 0.00 1.75 1.81 0.00 3.09 0.00 0.00 3.02 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.82 5.50 0.00 2.90 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 88 A 8.53 4.40 1.26 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 89 L 8.42 4.88 0.00 1.71 1.70 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.71 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.20 4.82 0.00 3.60 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 6.94 4.39 0.00 3.68 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.50 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 0.98 0.00 0.00 0.88 0.00 0.00 94 Q 7.78 3.85 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 95 T 7.35 3.73 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 0.72 0.00 0.00 96 A 7.95 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.22 3.85 0.00 1.62 1.62 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.04 4.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.91 0.00 2.06 2.12 0.00 3.42 0.00 0.00 2.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 101 E 8.57 4.27 0.00 2.17 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 2.40 2.25 0.00 102 H 8.74 4.19 0.00 3.26 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.25 4.63 0.00 2.90 2.85 0.00 0.00 7.02 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 0.00 104 N 8.14 3.91 0.00 1.44 1.92 0.00 0.00 7.02 7.96 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 0.00 105 A 8.02 4.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.75 4.35 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 107 L 8.37 6.20 0.00 1.57 1.51 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.71 4.82 1.53 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.59 0.41 0.00 0.00 109 G 9.05 4.82 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 0.00 0.00 0.00 110 I 8.09 4.91 1.85 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 1.21 1.11 0.94 0.00 0.00 111 G 8.80 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 0.00 0.00 0.00 112 G 9.52 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 0.00 113 R 8.24 4.55 0.00 1.86 1.96 0.00 3.13 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 114 M 7.97 4.41 0.00 1.82 1.91 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 2.73 0.00 115 H 7.66 5.17 0.00 3.10 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 9.00 4.19 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 1.27 0.00 0.00 117 V 8.31 3.52 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 0.97 0.00 0.00 0.92 0.00 0.00 118 A 8.02 3.97 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 0.00 119 E 8.27 3.85 0.00 2.24 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 2.35 2.34 0.00 120 A 8.17 3.94 1.36 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 0.00 121 L 8.46 3.88 0.00 1.54 1.43 0.80 0.69 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 0.00 122 A 7.91 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.68 3.57 1.97 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 1.35 0.89 0.83 0.00 0.00 124 V 7.80 3.68 2.25 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 1.11 0.00 0.00 1.00 0.00 0.00 125 D 8.44 4.37 0.00 2.90 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 0.00 126 A 8.10 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.08 4.20 0.00 3.01 3.30 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 0.00 128 V 7.92 3.63 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 0.85 0.00 0.00 0.95 0.00 0.00 129 T 7.45 4.40 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 1.25 0.00 0.00 130 T 7.59 4.22 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 0.00 131 P 0.00 4.50 0.00 2.17 1.97 0.00 3.60 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 2.10 2.06 0.00 132 W 8.96 4.96 0.00 3.28 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 0.00 133 S 8.25 3.86 0.00 3.78 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 0.00 134 K 5.66 2.74 0.00 1.58 1.70 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.76 1.07 7.81 135 A 6.90 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.64 3.90 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.83 3.92 0.00 2.04 2.12 0.00 2.95 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 138 H 7.99 4.43 0.00 3.63 3.99 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.44 4.24 0.00 2.48 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 140 R 8.37 3.92 0.00 2.04 2.13 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 141 R 8.02 4.00 0.00 2.17 2.01 0.00 3.34 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 1.69 1.80 0.00 142 I 7.94 3.74 2.01 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.84 0.00 0.00 143 D 8.42 4.37 0.00 2.96 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 0.00 144 I 7.87 3.73 2.06 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 1.44 0.76 0.94 0.00 0.00 145 L 8.04 4.03 0.00 1.80 1.83 0.97 1.07 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 0.00 146 A 8.35 4.01 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 0.00 147 E 8.49 3.92 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 148 Y 8.15 4.08 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 0.00 149 E 8.55 3.98 0.00 2.26 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 2.41 2.58 0.00 150 R 7.61 3.88 0.00 1.99 1.98 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 151 T 7.55 4.37 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 1.22 0.00 0.00 152 H 7.85 3.21 0.00 3.07 3.23 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.04 4.25 0.00 2.03 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 2.35 2.26 0.00 154 A 8.71 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.46 0.00 2.20 2.11 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 156 P 0.00 4.40 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 157 V 8.06 3.89 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 0.82 0.00 0.00 0.92 0.00 0.00 158 P 0.00 4.08 0.00 2.08 2.01 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 *159 G 8.63 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 * Residues marked with a * may have inaccurate shift predictions.