NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3316 8.2549 119.7101 55.9978 31.3104 175.2088 10 I 4.1451 7.4244 118.5203 60.1367 38.6148 176.1720 11 A 4.7964 9.9681 130.3063 51.5854 20.8238 176.0656 12 G 4.6060 9.8099 106.5766 44.5628 0.0000 171.8490 13 F 5.3340 9.3733 123.7570 56.5404 42.6971 173.2069 14 R 4.9987 8.8732 128.3874 54.6929 31.5553 174.9872 15 F 5.0820 8.4981 120.8541 55.3381 42.0367 173.4291 16 S 4.4826 8.8603 114.7714 56.5627 66.2244 173.7325 17 L 4.6364 8.0825 122.9756 53.4820 43.8708 176.1518 18 Y 4.7722 8.5726 120.9605 55.7130 39.3499 173.6219 19 P 4.8753 0.0000 0.0000 62.3039 32.5356 175.8495 *21 T 4.1794 8.1614 110.5907 61.9479 68.2324 175.1544 22 D 4.6303 8.8411 125.9877 57.6600 40.8649 176.7603 23 D 4.6971 8.2600 118.3914 54.3904 41.5029 178.2736 24 F 4.3242 8.1829 115.3716 59.6888 37.7091 176.3638 25 I 3.5454 6.6820 120.3639 64.0724 36.8082 178.3659 26 S 4.0510 7.7920 114.3245 61.1940 62.9724 176.2896 27 V 3.5368 7.4484 121.6304 65.8614 31.3369 177.7258 28 I 3.6669 7.7536 119.2564 64.5915 37.0589 178.2191 29 K 3.8570 8.1975 120.1476 59.6094 31.9585 178.6592 30 S 4.1235 8.5499 113.4538 60.7544 61.8917 175.8306 31 A 3.9939 8.3143 123.9684 55.2184 17.9326 179.5303 32 L 3.9663 7.6169 115.6605 58.0949 41.8117 179.4809 33 A 4.0919 7.7810 119.0329 54.8342 18.3791 179.2670 34 A 3.9302 7.8861 118.7814 54.3567 18.4794 178.5332 35 T 3.9353 7.0423 113.5643 63.2977 69.1062 173.7302 36 D 4.4766 9.0514 125.7374 54.6111 40.0633 175.5981 37 T 4.5145 8.2008 116.3754 61.2942 69.0747 176.5743 38 S 4.0474 8.1517 117.7936 60.6194 63.0767 174.9285 39 K 3.7523 7.6621 118.6428 55.9383 32.3544 176.0304 40 V 4.9011 7.1013 111.1402 59.0963 35.6233 175.0436 41 W 4.6087 9.5398 134.9218 57.3575 31.6158 175.1527 42 T 5.4855 7.7299 116.4138 58.8931 71.6602 173.6926 43 K 4.0445 7.8530 123.9207 55.4776 35.1121 174.7188 44 T 4.7472 8.3263 125.0281 62.8176 69.6660 174.0844 45 D 4.8858 8.7139 124.6189 51.7143 42.6239 175.6712 46 H 4.2947 9.0052 113.3014 58.1324 28.6586 176.0893 47 I 4.1321 8.0936 120.4628 62.5023 38.4154 175.3497 48 S 4.4186 7.3747 112.4173 57.8583 66.5343 174.4339 49 T 4.9325 7.8642 117.5280 61.5116 71.6836 173.7301 50 V 4.9288 8.4035 123.7996 59.9613 34.5241 174.2417 51 L 5.4750 9.3761 124.4058 53.2436 44.3876 175.6736 52 R 5.1226 9.9119 121.8462 53.8002 34.0860 175.3020 53 G 4.4022 8.4360 110.8160 45.6640 0.0000 172.5048 54 S 4.7500 8.1102 117.9240 57.6926 65.5248 175.1280 55 I 3.9669 8.4344 123.5829 64.9591 36.9041 178.1761 56 D 4.4472 8.2172 118.9493 57.9480 40.6175 178.6911 57 H 4.4258 8.0188 115.6059 58.7343 28.7077 177.9435 58 V 3.6688 8.3298 120.4182 66.2543 31.3825 178.1367 59 F 3.8245 8.6260 117.6843 60.3774 38.8756 177.0108 60 D 4.3039 8.7540 117.9277 57.5474 40.9268 178.4354 61 A 3.9748 8.3660 121.0509 54.7621 18.4030 179.1657 62 A 3.7301 8.1165 119.7086 55.3386 18.3631 179.7581 63 K 2.4800 7.8057 117.5571 59.0293 32.1090 178.5166 64 A 3.8238 7.5948 120.5152 55.3951 18.3429 179.3627 65 I 3.7820 8.0187 119.4498 64.0553 36.7493 178.0518 66 Y 4.0582 7.8870 120.0021 60.7389 38.7349 178.1211 67 L 3.9884 8.0361 120.0429 57.7773 41.4580 179.1218 68 H 4.1059 8.2701 115.5932 58.7838 29.0429 177.0310 69 A 4.1017 7.9269 122.2197 55.5397 18.1735 179.5195 70 A 3.8328 7.8595 118.9608 55.2032 18.1785 178.9035 71 N 4.5898 7.7292 112.4719 54.3414 38.9592 177.0742 72 S 4.1845 7.7439 117.9761 60.2689 62.9678 176.0524 73 E 3.9792 8.1051 116.4403 56.0569 28.8200 179.9844 74 Q 4.2469 7.8225 115.8162 56.4096 29.4020 175.3962 75 H 4.8675 8.6973 120.4097 56.3858 30.1844 174.3025 76 I 4.7977 8.3279 119.7650 59.3398 40.8842 175.1352 77 V 5.3346 7.9344 123.1513 60.7930 35.3393 172.8228 *79 N 5.0567 8.7051 116.3630 54.2012 40.4440 175.1345 80 G 4.0035 8.7131 111.9144 46.2002 0.0000 171.3490 81 T 5.1308 8.5541 116.2718 61.7656 71.9480 173.8767 82 F 5.1457 9.0748 125.2005 56.9232 40.9578 174.7614 83 S 5.4967 9.8087 116.9174 57.1191 66.3641 172.4402 84 I 4.8479 9.1436 125.4539 60.9489 41.5562 175.5217 85 G 4.6186 9.5353 116.1143 46.3243 0.0000 173.1029 86 C 3.3770 7.8119 113.8290 57.5874 29.6703 172.1949 87 P 4.3450 0.0000 0.0000 63.7456 32.6292 176.6650 88 G 3.7021 8.3246 110.9809 45.1108 0.0000 172.7036 89 D 4.2474 8.7449 135.0000 53.0417 39.4461 172.5220 90 T 3.7909 8.3351 120.0482 62.6240 67.6749 173.5672 91 Q 4.2449 8.5997 124.9379 57.0744 29.5597 177.1994 92 G 4.1847 7.7639 106.3533 44.9561 0.0000 173.5983 93 D 4.2492 7.2448 120.8227 52.6742 41.5328 175.4967 94 T 4.7553 6.9653 114.4001 62.2593 73.2759 173.1161 95 Y 4.6940 8.7516 124.4417 55.7949 40.0439 174.6818 96 L 4.3189 7.9287 127.5553 54.7504 42.2157 172.9470 97 S 3.3613 8.4223 121.7363 58.1900 62.9681 171.6375 *100 D 4.5746 8.5452 125.1251 53.6025 42.6300 175.4916 101 K 4.3340 7.9757 120.3799 55.7287 33.4112 177.6651 102 R 4.4156 8.2951 125.5494 55.0049 28.2501 177.3749 103 V 3.7246 7.8536 113.8496 63.9433 32.3176 177.5140 104 N 4.5349 8.7387 116.8725 54.9938 38.7214 176.8298 105 E 3.9036 8.4314 119.5130 59.6043 29.0808 178.8042 106 D 4.3223 8.0815 117.5816 57.4580 40.9123 178.4796 107 A 4.1921 7.3683 118.8546 54.2901 18.2331 178.3376 108 V 4.4321 7.3644 108.6777 60.9410 33.0713 177.4866 109 R 4.2141 7.8457 117.4089 57.5906 29.7597 177.4615 110 G 3.8329 7.9811 105.8820 45.8629 0.0000 173.3890 111 L 4.4739 7.1824 119.4564 53.4903 42.6966 176.1025 112 K 4.7515 7.9829 120.8441 54.7799 36.2332 174.9161 113 A 4.6303 8.2307 118.3446 51.3159 22.1870 175.1969 114 E 4.7166 9.0451 118.5588 55.2240 30.9306 176.6450 115 A 5.1247 8.9159 123.8869 48.4794 17.9785 174.1447 116 P 4.5269 0.0000 0.0000 62.8241 33.2676 176.8280 117 C 5.2348 9.3707 122.0320 58.2859 35.9034 172.2887 118 Q 5.3775 8.9712 124.3886 54.1687 31.3470 174.6486 119 F 5.6173 9.6173 117.8594 55.3294 42.1668 173.3628 120 A 4.4053 8.8517 120.9597 50.1200 21.9112 175.1852 121 L 4.2892 8.0096 124.5417 53.8170 43.6818 175.8412 122 Y 4.8616 9.1262 124.8267 55.5554 39.0315 173.8815 123 P 4.6388 0.0000 0.0000 61.9442 33.0662 176.0842 *125 N 4.4273 8.1767 115.7186 53.0737 39.1188 176.0535 126 E 4.5336 7.4339 119.9301 54.1956 30.9375 172.7497 127 P 4.4526 0.0000 0.0000 64.8242 31.9566 176.6366 128 D 4.9637 8.7553 118.8051 54.0594 41.5434 176.3242 129 Y 4.2782 7.7390 112.4584 56.9990 38.1335 177.8662 *131 G 3.8048 8.1748 110.7225 46.7770 0.0000 174.8673 132 L 4.1158 7.9209 119.9761 57.9484 41.8976 180.5663 133 I 3.9143 7.9731 117.3124 61.8686 36.5326 177.9140 *135 E 4.1780 8.3832 121.7981 56.4886 31.5936 178.1254 136 A 3.9889 8.0430 120.3321 55.2185 18.3155 179.5976 137 V 3.4466 7.7683 116.6659 66.3875 31.3544 177.8219 138 D 4.2342 7.9691 117.7837 57.4369 40.6136 178.7310 139 I 3.7695 7.7418 119.8888 64.3163 37.2501 178.2822 140 A 4.0016 7.8279 120.9706 55.1169 18.2546 179.6244 141 K 3.8612 8.2124 116.9645 59.7036 31.9542 179.0755 142 A 3.9913 8.5720 120.6949 55.7055 18.3721 179.5001 143 Q 4.1286 8.5673 115.0255 57.1160 28.8581 177.6679 144 G 3.9914 8.0427 107.8208 45.4117 0.0000 173.9418 145 T 4.5609 7.6750 109.7257 61.7502 70.4870 174.8494 146 F 4.5179 8.3669 125.2165 58.7604 39.6052 173.7792 147 V 4.1858 7.8177 125.4831 63.3422 32.8567 175.2003 148 Q 4.2209 6.5833 115.3496 55.3555 31.3759 172.1598 149 G 4.3939 8.7806 107.1291 45.2660 0.0000 173.3834 150 V 4.5316 8.2491 115.6298 58.7211 35.4682 174.7083 151 H 3.6532 8.3065 117.7461 57.8609 28.3464 175.7355 152 Y 3.9683 9.7516 120.5704 57.9785 35.4584 167.9423 153 A 4.6062 7.4009 120.9519 51.5853 23.6691 175.3897 154 S 5.0888 8.8136 114.8480 56.9285 66.6526 173.5985 155 E 4.9497 9.4375 124.3535 55.2785 31.0420 175.4092 156 L 5.2125 9.1332 124.3887 53.3226 45.3463 174.8803 157 D 4.8011 9.0001 119.4672 53.0591 45.4841 174.8965 158 G 4.2594 8.5711 109.5735 43.1852 0.0000 171.9899 159 D 4.9323 8.1694 118.6851 53.5725 43.1986 176.1919 160 A 4.1735 9.1017 126.4599 56.1569 18.3646 180.1088 161 H 4.1714 8.4552 113.9745 59.0994 28.7666 177.8338 162 D 4.3972 8.0706 120.2232 57.1204 40.8980 178.8922 163 V 3.4670 8.0129 118.9007 66.0252 31.5802 178.1829 164 F 3.8439 8.7966 117.9256 60.2407 38.6501 177.3952 165 S 4.0531 8.2278 112.9223 61.9657 62.1402 176.5420 166 T 3.7964 7.7485 118.0979 66.5042 68.0829 176.7604 167 L 3.7466 7.7026 120.9498 57.5421 41.5698 179.0966 168 E 2.8425 7.9888 119.0484 58.7207 29.2282 178.7036 169 A 3.8073 7.6924 119.9084 55.0203 18.5135 179.4230 170 V 3.6962 7.4621 115.6530 66.0468 31.9496 177.7796 171 F 4.3685 8.1801 120.2398 61.3254 39.2610 178.4576 172 R 4.0542 8.6591 118.0599 56.0425 30.3412 178.3858 *174 A 4.2286 8.0242 123.9605 52.1692 19.2030 179.4697 175 E 4.1302 7.7312 117.1231 58.3470 29.3423 178.8059 176 Q 4.2272 7.8398 117.6083 58.4843 28.7211 177.9160 177 Q 4.3167 7.2104 117.4801 56.2253 29.6952 176.2161 178 T 4.7312 7.5273 115.3402 61.3631 72.2195 174.7637 179 N 4.3145 8.9040 122.4951 55.7993 38.8603 174.4585 180 H 5.3865 8.1277 117.3106 54.1345 32.0150 172.1479 181 I 4.8915 8.7510 120.0830 59.7715 41.1839 174.9380 182 T 6.1839 8.9485 120.8236 61.3631 72.5624 172.5495 *184 T 4.8181 8.3031 110.6184 62.6928 70.5957 173.3960 185 V 5.0033 9.0238 116.5929 59.8338 36.3730 174.5252 186 N 5.2319 9.0918 121.5160 52.1543 41.6795 172.3663 187 L 5.2355 8.5989 125.9675 52.7793 44.7632 175.3116 188 S 5.2559 8.9091 118.4498 56.4753 64.1931 172.9640 189 A 4.8771 9.2469 128.5738 50.4808 22.4372 175.3517 190 N 4.0198 8.7598 114.6061 54.3587 36.1756 174.8406 191 S 4.2745 7.9815 110.8292 56.6145 63.6616 171.7781 192 P 4.4206 0.0000 0.0000 63.0714 31.0140 176.3353 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 9 R 8.25 4.33 0.00 1.84 2.02 0.00 3.17 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 10 I 7.42 4.15 1.91 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 0.63 0.98 0.00 0.00 11 A 9.97 4.80 1.50 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 0.00 0.00 0.00 12 G 9.81 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 9.37 5.33 0.00 2.70 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 14 R 8.87 5.00 0.00 1.90 1.72 0.00 3.07 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 15 F 8.50 5.08 0.00 2.77 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 16 S 8.86 4.48 0.00 3.32 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 17 L 8.08 4.64 0.00 1.44 1.54 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.57 4.77 0.00 2.95 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 19 P 0.00 4.88 0.00 2.29 2.06 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.13 0.00 *21 T 8.16 4.18 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 1.26 0.00 0.00 22 D 8.84 4.63 0.00 2.74 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 23 D 8.26 4.70 0.00 2.78 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 24 F 8.18 4.32 0.00 3.37 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.68 3.55 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.10 0.77 0.00 0.00 26 S 7.79 4.05 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.45 3.54 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 1.01 0.00 0.00 28 I 7.75 3.67 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.87 0.00 0.00 29 K 8.20 3.86 0.00 1.93 1.89 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 30 S 8.55 4.12 0.00 3.88 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 31 A 8.31 3.99 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 32 L 7.62 3.97 0.00 1.79 1.74 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.78 4.09 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 34 A 7.89 3.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.04 3.94 4.41 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 1.28 0.00 0.00 36 D 9.05 4.48 0.00 2.60 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 37 T 8.20 4.51 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 1.25 0.00 0.00 38 S 8.15 4.05 0.00 3.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.66 3.75 0.00 1.52 1.33 0.00 1.77 0.00 0.00 1.18 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.15 1.18 7.81 40 V 7.10 4.90 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 0.77 0.00 0.00 0.98 0.00 0.00 41 W 9.54 4.61 0.00 3.50 3.24 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 42 T 7.73 5.49 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 K 7.85 4.04 0.00 1.05 1.45 0.00 1.86 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.34 7.81 44 T 8.33 4.75 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 1.09 0.00 0.00 45 D 8.71 4.89 0.00 2.85 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 46 H 9.01 4.29 0.00 3.28 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.09 4.13 1.76 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 1.23 0.31 0.86 0.00 0.00 48 S 7.37 4.42 0.00 3.71 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 49 T 7.86 4.93 2.97 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 1.08 0.00 0.00 50 V 8.40 4.93 2.12 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 1.06 0.00 0.00 1.08 0.00 0.00 51 L 9.38 5.47 0.00 1.78 1.78 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 52 R 9.91 5.12 0.00 2.09 1.89 0.00 3.27 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 53 G 8.44 4.40 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 0.00 54 S 8.11 4.75 0.00 4.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.43 3.97 1.99 0.00 0.00 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 2.08 0.92 1.08 0.00 0.00 56 D 8.22 4.45 0.00 2.69 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 57 H 8.02 4.43 0.00 3.49 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.33 3.67 2.30 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 1.14 0.00 0.00 1.18 0.00 0.00 59 F 8.63 3.82 0.00 3.27 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 60 D 8.75 4.30 0.00 2.87 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 61 A 8.37 3.97 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 62 A 8.12 3.73 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.81 2.48 0.00 1.26 1.45 0.00 1.24 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.95 0.32 7.81 64 A 7.59 3.82 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 65 I 8.02 3.78 1.79 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 1.48 1.33 1.06 0.00 0.00 66 Y 7.89 4.06 0.00 3.26 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 67 L 8.04 3.99 0.00 1.75 1.59 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.27 4.11 0.00 3.07 3.33 0.00 5.70 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 69 A 7.93 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.83 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 71 N 7.73 4.59 0.00 2.84 2.87 0.00 0.00 7.04 7.44 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 72 S 7.74 4.18 0.00 4.02 4.11 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 73 E 8.11 3.98 0.00 2.22 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 0.00 2.13 2.14 0.00 74 Q 7.82 4.25 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 75 H 8.70 4.87 0.00 3.28 3.29 0.00 5.86 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.33 4.80 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.96 0.00 0.00 77 V 7.93 5.33 2.31 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 1.57 0.00 0.00 1.00 0.00 0.00 *79 N 8.71 5.06 0.00 3.17 3.07 0.00 0.00 6.64 7.92 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 80 G 8.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 5.13 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 1.39 0.00 0.00 82 F 9.07 5.15 0.00 2.91 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 0.00 0.00 0.00 0.00 83 S 9.81 5.50 0.00 4.01 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 84 I 9.14 4.85 2.24 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 1.23 1.43 0.80 0.00 0.00 85 G 9.54 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 7.81 3.38 0.00 2.95 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 87 P 0.00 4.35 0.00 2.05 2.02 0.00 3.67 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 88 G 8.32 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.74 4.25 0.00 2.80 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 90 T 8.34 3.79 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 1.08 0.00 0.00 91 Q 8.60 4.24 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 92 G 7.76 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 0.00 0.00 0.00 0.00 93 D 7.24 4.25 0.00 1.93 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 94 T 6.97 4.76 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 1.29 0.00 0.00 95 Y 8.75 4.69 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.93 4.32 0.00 1.63 1.55 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.42 3.36 0.00 3.92 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 *100 D 8.55 4.57 0.00 2.74 2.78 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 0.00 101 K 7.98 4.33 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 102 R 8.30 4.42 0.00 1.94 2.05 0.00 3.21 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 103 V 7.85 3.72 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 0.76 0.00 0.00 1.05 0.00 0.00 104 N 8.74 4.53 0.00 3.06 2.83 0.00 0.00 6.41 6.99 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 0.00 105 E 8.43 3.90 0.00 2.12 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 0.00 2.33 2.41 0.00 106 D 8.08 4.32 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.37 4.19 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 0.00 108 V 7.36 4.43 2.02 0.00 0.00 0.00 0.00 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3.99 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 0.00 137 V 7.77 3.45 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 0.50 0.00 0.00 0.96 0.00 0.00 138 D 7.97 4.23 0.00 2.84 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 0.00 139 I 7.74 3.77 2.02 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 1.43 0.83 0.89 0.00 0.00 140 A 7.83 4.00 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 0.00 141 K 8.21 3.86 0.00 1.89 1.79 0.00 1.36 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.29 0.84 7.81 142 A 8.57 3.99 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 0.00 143 Q 8.57 4.13 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.68 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 144 G 8.04 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 0.00 145 T 7.67 4.56 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 1.20 0.00 0.00 146 F 8.37 4.52 0.00 3.02 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 0.00 147 V 7.82 4.19 1.94 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 0.74 0.00 0.00 0.81 0.00 0.00 148 Q 6.58 4.22 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 149 G 8.78 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 0.00 0.00 0.00 0.00 150 V 8.25 4.53 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 0.73 0.00 0.00 1.01 0.00 0.00 151 H 8.31 3.65 0.00 2.85 2.16 0.00 5.96 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 9.75 3.97 0.00 3.27 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 0.00 153 A 7.40 4.61 1.25 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 0.00 0.00 154 S 8.81 5.09 0.00 3.59 4.10 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 0.00 0.00 0.00 155 E 9.44 4.95 0.00 1.84 1.73 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 2.26 2.24 0.00 156 L 9.13 5.21 0.00 1.40 1.43 0.29 1.00 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 0.00 157 D 9.00 4.80 0.00 2.70 2.42 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 0.00 158 G 8.57 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 0.00 159 D 8.17 4.93 0.00 2.85 2.61 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 0.00 0.00 0.00 0.00 160 A 9.10 4.17 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 0.00 161 H 8.46 4.17 0.00 3.25 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.07 4.40 0.00 2.84 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 0.00 163 V 8.01 3.47 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.88 0.00 0.00 164 F 8.80 3.84 0.00 3.22 3.03 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 0.00 165 S 8.23 4.05 0.00 3.94 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 7.75 3.80 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 1.08 0.00 0.00 167 L 7.70 3.75 0.00 1.62 1.51 0.30 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 168 E 7.99 2.84 0.00 1.47 1.71 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 1.84 1.47 0.00 169 A 7.69 3.81 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 0.00 170 V 7.46 3.70 2.38 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 1.05 0.00 0.00 1.13 0.00 0.00 171 F 8.18 4.37 0.00 3.21 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 0.00 172 R 8.66 4.05 0.00 1.85 1.87 0.00 3.06 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 *174 A 8.02 4.23 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 0.00 175 E 7.73 4.13 0.00 1.68 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 2.21 2.22 0.00 176 Q 7.84 4.23 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 177 Q 7.21 4.32 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 178 T 7.53 4.73 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 1.23 0.00 0.00 179 N 8.90 4.31 0.00 2.77 2.88 0.00 0.00 6.47 8.16 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 0.00 180 H 8.13 5.39 0.00 3.17 3.17 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 8.75 4.89 1.88 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.88 0.00 0.00 182 T 8.95 6.18 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 1.58 0.00 0.00 *184 T 8.30 4.82 4.41 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 1.49 0.00 0.00 185 V 9.02 5.00 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 0.93 0.00 0.00 1.11 0.00 0.00 186 N 9.09 5.23 0.00 2.86 2.84 0.00 0.00 7.02 5.99 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 0.00 187 L 8.60 5.24 0.00 1.70 1.49 0.63 -0.08 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 0.00 188 S 8.91 5.26 0.00 3.98 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 0.00 189 A 9.25 4.88 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 0.00 0.00 190 N 8.76 4.02 0.00 3.08 2.95 0.00 0.00 6.90 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 0.00 191 S 7.98 4.27 0.00 3.77 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 0.00 192 P 0.00 4.42 0.00 2.06 1.95 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.