NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.4224 8.1849 121.0388 55.0957 42.2425 176.6321 9 L 4.1988 7.8456 118.9004 53.8721 42.3258 175.4902 10 K 4.0957 8.4520 121.1288 55.8495 33.5502 175.0826 11 P 4.4066 0.0000 0.0000 62.3279 31.8464 176.2747 12 L 3.9879 8.4274 120.5443 54.7522 42.1766 175.7430 13 P 4.5057 0.0000 0.0000 61.7304 32.2679 177.0389 14 A 3.9704 8.6942 122.9686 55.2823 18.1159 178.3905 15 D 4.6476 8.0303 111.4738 52.4531 39.8068 176.5041 16 K 3.7489 7.9440 116.9652 57.6191 30.2191 175.1993 17 Q 4.3730 8.1741 118.6099 54.8524 29.1262 175.6150 18 I 4.0778 8.1415 126.3245 60.6601 38.8662 175.4293 19 E 4.6185 8.8305 127.1991 56.5591 30.2856 177.8215 20 T 3.9377 9.3431 122.9177 66.6816 68.6250 177.0628 21 G 3.3096 7.7364 106.7521 47.4317 0.0000 173.7332 22 P 4.3200 0.0000 0.0000 64.7914 31.2588 178.2814 23 F 4.1875 8.1711 119.1499 61.5857 39.3363 177.2096 24 L 3.7068 8.1686 118.4884 57.6026 41.1551 179.1663 25 E 3.8462 8.0555 118.1394 59.1560 29.9419 178.5787 26 A 4.2481 8.0312 120.7555 55.4149 18.6219 179.9588 27 V 3.8428 7.8109 110.5088 63.5040 31.3953 178.6162 28 S 4.2602 7.7229 113.4573 60.9325 62.9411 175.3007 29 H 4.5439 7.8927 118.1794 56.9801 28.8812 176.6972 30 L 4.6593 7.9860 122.0375 57.0808 41.9435 176.8454 31 P 4.3630 0.0000 0.0000 65.5194 31.2466 176.6845 32 P 4.4830 0.0000 0.0000 65.6176 31.0176 178.5039 33 F 4.2182 8.3543 116.3829 60.0256 38.7235 177.0384 34 F 4.4355 8.8380 116.7722 58.9843 38.7015 175.9932 35 D 5.0638 8.0407 118.5621 54.0194 40.8946 177.4629 36 C 4.2922 7.8557 115.4206 59.9940 29.9265 174.2808 37 L 4.4082 7.9400 118.8801 54.2845 42.5949 176.3382 38 G 3.9976 8.2266 112.5092 44.6200 0.0000 174.9951 39 S 4.1652 8.5319 111.1272 57.0303 63.8730 171.7694 40 P 4.6308 0.0000 0.0000 62.9615 31.7491 175.9969 41 V 4.2225 8.2671 114.5906 60.3355 34.3796 175.5842 42 F 4.0910 8.4075 118.0977 58.6094 36.6969 177.7226 43 T 3.8209 7.8655 118.6471 66.2894 68.6963 174.3853 44 P 3.8905 0.0000 0.0000 65.5653 31.0878 178.6991 45 I 3.7398 7.1914 119.1588 63.9276 37.0677 177.8275 46 K 2.8829 7.4699 120.2214 59.2581 31.8056 178.6255 47 A 3.8385 7.9424 121.0476 54.9597 18.2626 179.0225 48 D 4.2122 7.8778 116.3229 57.5894 41.2739 178.5803 49 I 3.7291 7.6762 120.1195 64.5158 37.1407 178.6257 50 S 4.1780 8.2461 116.1949 61.6290 62.8234 177.0396 51 G 3.6152 8.2554 108.5345 47.9303 0.0000 175.5110 52 N 4.4596 8.2126 118.7979 55.9139 38.4920 177.5738 53 I 3.8156 8.0383 121.5223 64.7732 37.2125 178.4604 54 T 3.8783 8.0079 116.4090 66.7046 68.1406 176.8383 55 K 4.0200 7.9879 119.8696 59.3836 31.9767 179.5908 56 I 3.7109 7.8550 120.1037 64.3538 37.0170 178.3094 57 K 3.9882 8.4468 120.5560 59.6209 31.6982 178.6014 58 A 4.0219 7.8739 120.3376 54.9177 18.4167 179.6250 59 V 3.6150 7.6194 116.8473 66.2764 31.7754 177.4657 60 Y 4.2277 8.2217 119.6348 61.1563 38.3867 178.0794 61 D 4.3407 8.4104 118.7248 57.1535 40.9173 178.5173 62 T 4.1848 7.6236 109.9333 63.9598 70.2800 174.5959 63 N 4.7893 7.9809 116.8557 51.9580 40.9618 172.4984 64 P 3.6855 0.0000 0.0000 64.6773 32.1749 178.9103 65 A 4.0249 7.8836 120.2692 54.8325 18.6546 178.5373 66 K 3.9095 8.1161 116.2031 58.7401 32.2519 177.4656 67 F 5.2064 7.5985 116.9256 56.9801 39.8095 177.1882 68 R 4.4216 8.6840 122.7551 58.2908 30.5219 175.8625 69 T 5.1236 7.5942 106.5516 59.3919 72.8399 174.8888 70 L 4.0179 8.3753 121.5628 57.9330 41.4798 179.5945 71 Q 3.9726 8.0921 119.0729 59.2723 28.8766 177.9240 72 N 4.6067 8.2576 118.7525 55.7848 38.6235 177.1502 73 I 4.1251 7.8741 120.8587 64.7008 37.2990 178.4997 74 L 4.4226 8.0967 120.8550 57.3035 41.3144 179.4790 75 E 3.7172 8.4103 117.8262 59.2558 29.6077 179.1928 76 V 3.5267 8.0759 119.7125 65.8580 31.1023 177.9574 77 E 4.1671 8.4938 118.2181 59.0179 29.3620 179.1610 78 K 2.9173 7.4907 119.8391 59.0279 31.7922 178.4140 79 E 3.7884 7.5843 118.1059 59.5372 29.6271 178.4081 80 M 4.0203 7.8014 117.4746 57.9147 31.8361 177.4819 81 Y 4.7055 8.1727 114.5131 56.7844 39.3687 176.9857 82 G 3.9028 8.5448 109.0277 46.7273 0.0000 177.2630 83 A 4.2537 8.7753 126.3611 54.0472 18.9547 178.4744 84 E 4.0947 8.1210 116.4805 58.5610 29.9790 177.0604 85 W 4.3951 8.0167 128.0738 57.0481 31.1352 173.4531 86 P 3.1410 0.0000 0.0000 62.1125 31.3573 176.3029 87 K 4.2856 7.4208 121.3089 54.9187 31.2704 176.4334 88 V 4.2602 7.1166 118.6364 61.2444 35.4762 175.5993 89 G 3.8714 8.6933 108.3230 45.5589 0.0000 175.1256 90 A 4.0996 8.8446 119.4967 55.1725 18.5278 179.8959 91 T 3.9667 8.6739 115.1945 66.7632 68.5232 176.5364 92 L 4.0655 8.1178 121.9731 58.0778 42.1380 178.6995 93 A 4.3360 7.8763 121.6869 54.7403 18.3326 179.4532 94 L 4.0618 8.5043 119.1239 58.1984 40.5292 178.7015 95 M 2.9658 7.9689 118.4430 58.0682 31.9376 178.1764 96 W 4.2556 7.9099 118.4157 59.0086 29.3192 178.2663 97 L 4.0531 8.4186 121.1634 58.2331 41.4552 179.2602 98 K 4.0185 8.0506 118.5479 60.0285 32.2001 179.3454 99 R 4.3143 6.8505 119.4812 58.6503 30.0498 179.2710 100 G 3.7968 8.1272 105.3904 47.7596 0.0000 175.8575 101 L 4.4948 8.5399 123.1025 57.2321 41.5996 179.4878 102 R 3.9275 8.6717 119.1967 59.1587 29.9586 178.0498 103 F 4.0925 8.6609 120.7688 61.6916 39.3075 177.2574 104 I 3.8812 8.2423 119.0218 64.3536 36.8713 178.1016 105 Q 4.2663 8.6048 120.4441 59.5428 28.8862 178.7677 106 V 3.5774 8.0776 119.3765 65.7140 31.5466 177.7139 107 F 4.0216 8.1406 120.4316 61.3272 39.2185 177.1359 108 L 3.8025 8.2115 118.7078 57.7762 41.4560 179.2875 109 Q 3.9345 8.4634 119.9213 59.2366 29.0896 178.3442 110 S 4.1296 8.2184 114.3023 61.3572 62.4033 176.2441 111 I 3.5895 7.5588 122.4842 64.6159 36.6100 178.3051 112 C 4.2117 7.9728 116.3758 62.4813 28.0135 174.9898 113 D 4.6711 8.0154 117.9911 54.0409 40.6217 177.1076 114 G 3.8794 7.7592 107.7298 45.8041 0.0000 173.6934 115 E 4.0833 7.8521 119.3056 56.0576 29.8061 176.5176 116 R 4.3633 7.9084 117.8123 55.4914 31.9661 173.5004 117 D 4.6184 8.3137 118.3607 53.1675 41.2694 176.8803 118 E 4.0861 8.8059 126.9878 59.1202 29.6847 178.0576 119 N 4.5028 8.3704 115.3055 55.1922 39.6268 175.1033 120 H 5.0217 7.9868 114.9649 53.6752 29.1613 172.5285 121 P 4.3527 0.0000 0.0000 64.8853 32.2358 177.4616 122 N 4.7739 8.2071 116.6960 53.2879 38.9611 173.9601 123 L 4.8869 7.7206 117.0658 53.8582 43.4769 175.9899 124 I 4.6769 7.8497 110.8844 60.4869 38.4103 177.9863 125 R 3.9656 8.2640 122.3649 60.2443 29.8882 178.8450 126 V 3.6743 7.8402 111.6937 64.6285 31.5496 178.3103 127 N 4.3764 8.1671 115.4417 56.2024 38.4478 177.2677 128 A 4.0487 8.4721 122.3227 55.3834 18.3904 179.8240 129 T 3.9431 8.3057 114.5180 66.6707 68.5095 176.6517 130 K 3.9102 8.2867 121.2927 59.6369 32.2164 178.6478 131 A 3.9360 8.0754 120.9649 55.1515 17.6843 179.0056 132 Y 4.3503 8.5614 118.2599 61.0273 38.7321 177.8621 133 E 3.8991 8.4342 118.8082 59.8125 29.7260 179.1419 134 M 4.1643 8.2522 115.1228 57.1730 31.4972 177.3939 135 A 4.6122 7.8473 120.3600 53.0301 20.7160 177.3623 136 L 4.5553 7.9034 115.4636 55.5619 44.7827 178.8139 137 K 3.1272 7.3298 119.1310 59.0806 32.0477 178.6019 138 K 3.7508 7.4910 116.1904 58.5053 32.1138 176.9647 139 Y 4.6077 7.6641 115.6240 57.6021 38.3538 174.3708 140 H 5.2378 7.7549 117.1865 53.6200 31.2385 175.1396 141 G 4.0029 8.2710 110.6165 43.7627 0.0000 174.4758 142 W 4.3584 8.6729 116.9268 59.4453 28.1547 178.5524 143 I 2.8371 6.5586 120.0761 63.9365 36.5695 178.4003 144 V 3.5988 7.4597 118.5296 65.9866 31.3876 177.6048 145 Q 4.2949 8.4089 119.6077 58.5052 28.6243 179.3848 146 K 4.4351 7.9478 120.0833 58.8031 31.9129 179.4942 147 I 3.6452 7.6097 119.6931 64.5521 37.1050 178.5759 148 F 3.7919 8.4888 118.5811 60.2148 38.3771 177.4427 149 Q 3.8120 8.5034 119.4680 59.2700 28.7113 178.1917 150 A 4.0197 8.0194 121.3356 55.4419 18.1086 179.5415 151 A 3.9982 7.5609 117.7184 55.3183 18.6345 179.6026 152 L 4.2805 8.1102 117.6245 58.0789 41.4339 179.0966 153 Y 4.0171 8.1255 118.6257 60.1773 38.7319 176.7879 154 A 4.3584 7.5171 119.2476 51.0431 19.1713 177.0580 155 A 3.7053 6.9835 122.7168 52.6606 18.8873 176.7717 156 P 4.3519 0.0000 0.0000 62.0025 32.4530 176.3851 157 Y 4.3896 8.0163 116.1946 57.9556 39.5980 177.5228 158 K 4.0273 9.1716 125.2852 59.9159 32.3578 179.5563 159 S 4.4255 8.5076 115.7703 61.1607 62.8174 176.2502 160 D 4.3890 8.2211 122.0745 56.8309 40.6520 178.2109 161 F 4.2034 8.5687 121.3920 61.4292 39.5710 177.2961 162 L 3.7567 8.1774 118.5551 57.4193 41.2125 179.0519 163 K 3.7751 7.9516 118.4170 59.7436 32.1189 178.2525 164 A 4.0906 7.8419 119.4362 55.1718 18.3972 179.4309 165 L 4.0979 7.5136 116.2844 57.1022 41.5542 178.6140 166 S 4.7343 7.2827 113.7016 57.6255 64.0331 175.1315 167 K 3.8211 8.0990 122.5273 56.8171 32.0382 176.4101 *172 T 4.1311 7.6584 108.7355 62.4955 71.3543 173.1889 173 E 3.9520 8.4249 119.7074 59.5735 29.3335 179.2835 174 E 4.0539 8.0872 118.8828 59.2355 29.8298 178.5236 175 E 4.1252 8.1422 118.5152 59.3566 29.4742 178.9137 176 C 4.0823 8.0739 118.8775 62.4556 31.6013 175.6080 177 L 4.0038 7.9981 120.5873 57.7941 41.1531 179.3330 178 E 3.9651 8.4064 118.6756 59.3971 29.4050 179.6012 179 K 4.0231 7.9277 118.0378 59.4774 32.0893 179.5327 180 I 3.7479 7.8587 120.1292 64.4486 36.7819 178.6872 181 R 3.9816 8.0406 118.1300 58.9655 30.1411 178.6869 182 L 4.0953 7.9732 120.1856 58.2156 42.0353 178.4842 183 F 4.1425 8.2641 120.6133 61.7174 39.1394 177.1699 184 L 3.9924 8.1990 117.9695 57.2927 41.3453 179.4130 185 V 3.5590 7.6754 118.7924 66.2908 31.5574 177.8398 186 N 4.4313 7.9484 115.5597 55.8778 38.1962 176.9618 187 Y 3.9741 7.4001 121.2742 60.9548 38.7883 178.0395 188 T 3.6715 8.1728 116.7675 66.5499 68.5234 176.4068 189 A 3.9443 7.7494 122.1056 55.4749 18.3729 179.9053 190 T 3.7985 7.8913 114.0613 66.8716 68.5123 177.0948 191 I 3.7515 7.5732 121.6678 64.5300 37.0526 178.2960 192 D 4.3132 8.2964 119.9573 57.2700 40.5514 179.0274 193 V 3.6102 8.0400 118.9505 65.9324 31.4517 178.1680 194 I 3.7350 7.8866 119.5710 64.6122 36.8302 177.9121 195 Y 3.8648 8.3880 117.7027 61.0493 37.6505 178.3350 196 E 3.9909 8.5005 120.2191 59.5390 29.6543 178.5559 197 M 4.0033 8.3026 118.1640 58.9145 32.2438 177.6729 198 Y 3.6279 8.3133 116.9615 61.3259 38.0077 179.0182 199 T 3.8927 8.0004 116.4868 66.6644 68.3877 176.5949 200 Q 3.9933 8.0478 120.2685 59.3951 29.2281 177.5409 201 M 4.3243 8.2755 116.5934 54.7003 32.7079 175.6634 202 N 4.1342 7.8718 115.6544 54.4952 36.7920 174.5270 203 A 3.8497 8.1057 118.5299 51.6885 20.0428 177.3654 204 E 4.2451 7.8745 117.4757 55.0750 30.5421 175.4287 205 L 4.8567 8.0463 124.8786 53.2839 44.7798 175.8918 206 N 5.0683 8.5529 116.5156 52.9839 39.4755 174.8091 207 Y 4.3958 8.0477 116.6672 57.0663 38.6670 175.5560 208 K 4.8770 8.5728 120.4842 55.1334 34.4499 177.0853 209 V 4.1132 8.4940 113.8659 61.7175 32.0768 175.7913 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 8 L 8.18 4.42 0.00 1.85 1.94 1.24 0.43 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 9 L 7.85 4.20 0.00 1.78 1.73 1.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.45 4.10 0.00 1.82 1.82 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.51 7.81 11 P 0.00 4.41 0.00 2.19 2.08 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 12 L 8.43 3.99 0.00 1.66 1.68 0.92 1.05 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 13 P 0.00 4.51 0.00 2.37 1.99 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.10 0.00 14 A 8.69 3.97 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 15 D 8.03 4.65 0.00 2.77 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 16 K 7.94 3.75 0.00 1.93 1.93 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.39 7.81 17 Q 8.17 4.37 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 18 I 8.14 4.08 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.78 0.00 0.00 19 E 8.83 4.62 0.00 1.99 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 0.00 2.45 2.38 0.00 20 T 9.34 3.94 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 1.02 0.00 0.00 21 G 7.74 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 0.00 0.00 0.00 22 P 0.00 4.32 0.00 2.25 2.18 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 23 F 8.17 4.19 0.00 3.25 3.34 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 24 L 8.17 3.71 0.00 1.78 1.65 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.06 3.85 0.00 2.09 2.16 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 2.36 2.41 0.00 26 A 8.03 4.25 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 27 V 7.81 3.84 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 0.59 0.00 0.00 0.54 0.00 0.00 28 S 7.72 4.26 0.00 3.99 4.09 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 29 H 7.89 4.54 0.00 3.46 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.99 4.66 0.00 2.05 2.01 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.36 0.00 2.16 2.05 0.00 3.79 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 32 P 0.00 4.48 0.00 1.89 1.98 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 33 F 8.35 4.22 0.00 3.31 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 34 F 8.84 4.44 0.00 3.19 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 35 D 8.04 5.06 0.00 2.84 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 36 C 7.86 4.29 0.00 3.02 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 37 L 7.94 4.41 0.00 1.66 1.75 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.23 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 39 S 8.53 4.17 0.00 3.83 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 40 P 0.00 4.63 0.00 2.08 2.00 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 41 V 8.27 4.22 1.43 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 0.56 0.00 0.00 0.79 0.00 0.00 42 F 8.41 4.09 0.00 3.49 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 43 T 7.87 3.82 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 1.12 0.00 0.00 44 P 0.00 3.89 0.00 0.49 1.53 0.00 3.18 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.69 0.00 45 I 7.19 3.74 1.99 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.57 0.93 0.00 0.00 46 K 7.47 2.88 0.00 0.96 1.66 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.04 7.81 47 A 7.94 3.84 1.22 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 0.00 0.00 48 D 7.88 4.21 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.68 3.73 1.93 0.00 0.00 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 1.65 0.64 0.98 0.00 0.00 50 S 8.25 4.18 0.00 4.02 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 51 G 8.26 3.62 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 52 N 8.21 4.46 0.00 2.91 3.07 0.00 0.00 7.01 7.36 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 53 I 8.04 3.82 2.03 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 1.51 0.91 0.89 0.00 0.00 54 T 8.01 3.88 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 1.22 0.00 0.00 55 K 7.99 4.02 0.00 2.00 1.87 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.61 7.81 56 I 7.85 3.71 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 0.98 0.00 0.00 57 K 8.45 3.99 0.00 1.90 1.99 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.63 7.81 58 A 7.87 4.02 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 59 V 7.62 3.61 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 0.38 0.00 0.00 0.97 0.00 0.00 60 Y 8.22 4.23 0.00 3.09 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 61 D 8.41 4.34 0.00 2.80 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 62 T 7.62 4.18 4.32 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 1.31 0.00 0.00 63 N 7.98 4.79 0.00 2.75 2.63 0.00 0.00 7.07 7.32 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 64 P 0.00 3.69 0.00 2.07 1.59 0.00 3.52 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 1.92 1.61 0.00 65 A 7.88 4.02 1.24 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 66 K 8.12 3.91 0.00 1.52 1.56 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.30 0.92 7.81 67 F 7.60 5.21 0.00 3.30 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 68 R 8.68 4.42 0.00 2.15 2.00 0.00 3.21 0.00 0.00 3.39 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 69 T 7.59 5.12 4.35 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 1.25 0.00 0.00 70 L 8.38 4.02 0.00 1.64 1.70 0.21 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.09 3.97 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 72 N 8.26 4.61 0.00 3.15 3.12 0.00 0.00 6.62 6.66 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 73 I 7.87 4.13 2.18 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 1.59 1.30 1.00 0.00 0.00 74 L 8.10 4.42 0.00 1.87 1.86 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.41 3.72 0.00 2.06 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 2.55 2.25 0.00 76 V 8.08 3.53 2.35 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 0.96 0.00 0.00 0.87 0.00 0.00 77 E 8.49 4.17 0.00 2.55 2.58 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 2.73 2.78 0.00 78 K 7.49 2.92 0.00 0.79 1.18 0.00 0.64 0.00 0.00 1.10 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.96 0.56 7.81 79 E 7.58 3.79 0.00 1.87 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 2.23 2.40 0.00 80 M 7.80 4.02 0.00 1.31 1.68 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.40 0.00 81 Y 8.17 4.71 0.00 3.31 3.05 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 82 G 8.54 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 83 A 8.78 4.25 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 84 E 8.12 4.09 0.00 2.14 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 2.29 2.25 0.00 85 W 8.02 4.40 0.00 3.39 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 86 P 0.00 3.14 0.00 1.52 0.49 0.00 3.61 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.00 87 K 7.42 4.29 0.00 1.68 1.70 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.30 7.81 88 V 7.12 4.26 1.83 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 0.64 0.00 0.00 -0.16 0.00 0.00 89 G 8.69 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 4.10 1.30 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 0.00 0.00 91 T 8.67 3.97 4.49 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 0.95 0.00 0.00 92 L 8.12 4.07 0.00 2.07 1.86 1.22 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.88 4.34 1.48 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 0.00 0.00 94 L 8.50 4.06 0.00 1.91 2.05 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 M 7.97 2.97 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.79 0.00 96 W 7.91 4.26 0.00 3.49 3.14 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 97 L 8.42 4.05 0.00 1.89 1.89 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.05 4.02 0.00 1.83 1.79 0.00 0.61 0.00 0.00 0.63 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.66 7.81 99 R 6.85 4.31 0.00 2.04 2.13 0.00 2.21 0.00 0.00 2.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.19 0.00 100 G 8.13 3.80 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 0.00 0.00 0.00 101 L 8.54 4.49 0.00 2.00 1.94 1.20 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.67 3.93 0.00 2.06 2.33 0.00 2.97 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 103 F 8.66 4.09 0.00 3.36 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 I 8.24 3.88 2.47 0.00 0.00 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 1.83 1.18 1.09 0.00 0.00 105 Q 8.60 4.27 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 106 V 8.08 3.58 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 0.98 0.00 0.00 0.94 0.00 0.00 107 F 8.14 4.02 0.00 2.47 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 0.00 108 L 8.21 3.80 0.00 1.87 1.74 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.46 3.93 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 110 S 8.22 4.13 0.00 3.92 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 I 7.56 3.59 1.72 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.07 0.85 0.00 0.00 112 C 7.97 4.21 0.00 3.12 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 0.00 113 D 8.02 4.67 0.00 2.82 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 0.00 114 G 7.76 3.88 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 0.00 0.00 0.00 115 E 7.85 4.08 0.00 2.09 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 2.33 2.22 0.00 116 R 7.91 4.36 0.00 1.87 1.86 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 117 D 8.31 4.62 0.00 2.82 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 0.00 118 E 8.81 4.09 0.00 1.99 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 0.00 2.32 2.28 0.00 119 N 8.37 4.50 0.00 2.74 2.63 0.00 0.00 6.75 7.76 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 0.00 120 H 7.99 5.02 0.00 3.17 3.20 0.00 5.62 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 0.00 121 P 0.00 4.35 0.00 2.19 2.19 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 122 N 8.21 4.77 0.00 2.84 2.89 0.00 0.00 7.17 6.66 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 0.00 123 L 7.72 4.89 0.00 1.83 1.55 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.85 4.68 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 1.57 1.09 0.90 0.00 0.00 125 R 8.26 3.97 0.00 1.86 2.03 0.00 2.89 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 126 V 7.84 3.67 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 0.89 0.00 0.00 0.94 0.00 0.00 127 N 8.17 4.38 0.00 2.88 2.72 0.00 0.00 7.02 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 0.00 128 A 8.47 4.05 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 0.00 129 T 8.31 3.94 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 130 K 8.29 3.91 0.00 1.91 2.05 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 131 A 8.08 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.56 4.35 0.00 3.32 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 0.00 133 E 8.43 3.90 0.00 2.15 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 2.39 2.57 0.00 134 M 8.25 4.16 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 135 A 7.85 4.61 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.90 4.56 0.00 1.31 1.25 1.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.33 3.13 0.00 1.15 1.48 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.41 1.52 7.81 138 K 7.49 3.75 0.00 0.79 0.99 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.57 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.17 1.17 7.81 139 Y 7.66 4.61 0.00 2.99 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 0.00 140 H 7.75 5.24 0.00 3.11 3.15 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.27 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 0.00 142 W 8.67 4.36 0.00 3.70 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 0.00 143 I 6.56 2.84 1.37 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.36 0.58 0.00 0.00 144 V 7.46 3.60 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 0.80 0.00 0.00 0.88 0.00 0.00 145 Q 8.41 4.29 0.00 2.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 146 K 7.95 4.44 0.00 2.02 1.88 0.00 1.98 0.00 0.00 2.12 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.74 7.81 147 I 7.61 3.65 2.09 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 1.45 1.49 0.71 0.00 0.00 148 F 8.49 3.79 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.50 3.81 0.00 2.08 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 150 A 8.02 4.02 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 0.00 151 A 7.56 4.00 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 0.00 152 L 8.11 4.28 0.00 1.85 1.75 0.57 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.13 4.02 0.00 3.08 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 0.00 154 A 7.52 4.36 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 0.00 155 A 6.98 3.71 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 0.00 156 P 0.00 4.35 0.00 2.23 2.03 0.00 3.40 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 157 Y 8.02 4.39 0.00 3.22 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 0.00 158 K 9.17 4.03 0.00 1.84 2.09 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.52 7.81 159 S 8.51 4.43 0.00 4.11 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 0.00 160 D 8.22 4.39 0.00 3.00 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 0.00 161 F 8.57 4.20 0.00 3.21 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 0.00 162 L 8.18 3.76 0.00 1.74 1.66 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.95 3.78 0.00 1.89 2.02 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 164 A 7.84 4.09 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 0.00 165 L 7.51 4.10 0.00 1.52 1.57 0.25 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 166 S 7.28 4.73 0.00 3.83 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 0.00 167 K 8.10 3.82 0.00 1.81 1.96 0.00 1.47 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.63 7.81 *172 T 7.66 4.13 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 1.25 0.00 0.00 173 E 8.42 3.95 0.00 2.02 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 2.39 2.36 0.00 174 E 8.09 4.05 0.00 2.07 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 0.00 2.37 2.45 0.00 175 E 8.14 4.13 0.00 2.32 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 2.32 2.31 0.00 176 C 8.07 4.08 0.00 3.04 3.08 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 0.00 177 L 8.00 4.00 0.00 1.89 1.69 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.41 3.97 0.00 2.14 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 0.00 2.33 2.62 0.00 179 K 7.93 4.02 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 180 I 7.86 3.75 1.96 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 1.34 0.76 0.94 0.00 0.00 181 R 8.04 3.98 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 182 L 7.97 4.10 0.00 1.81 1.88 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 183 F 8.26 4.14 0.00 3.14 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 0.00 184 L 8.20 3.99 0.00 1.97 1.75 0.98 0.91 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 0.00 185 V 7.68 3.56 2.16 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 1.03 0.00 0.00 1.00 0.00 0.00 186 N 7.95 4.43 0.00 2.75 2.98 0.00 0.00 6.60 7.48 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 0.00 187 Y 7.40 3.97 0.00 2.04 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 0.00 188 T 8.17 3.67 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 1.21 0.00 0.00 189 A 7.75 3.94 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 0.00 190 T 7.89 3.80 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 1.33 0.00 0.00 191 I 7.57 3.75 1.67 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.27 0.97 0.00 0.00 192 D 8.30 4.31 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.04 3.61 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 1.00 0.00 0.00 194 I 7.89 3.74 2.03 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.47 0.86 0.00 0.00 195 Y 8.39 3.86 0.00 3.11 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 0.00 196 E 8.50 3.99 0.00 2.21 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 2.33 2.35 0.00 197 M 8.30 4.00 0.00 2.32 2.05 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 2.72 2.45 0.00 198 Y 8.31 3.63 0.00 3.05 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 0.00 199 T 8.00 3.89 4.43 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 1.24 0.00 0.00 200 Q 8.05 3.99 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 201 M 8.28 4.32 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 202 N 7.87 4.13 0.00 2.98 2.94 0.00 0.00 6.78 7.39 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 0.00 203 A 8.11 3.85 0.72 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 0.00 204 E 7.87 4.25 0.00 1.92 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 2.22 2.29 0.00 205 L 8.05 4.86 0.00 1.67 1.70 0.94 0.97 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 0.00 206 N 8.55 5.07 0.00 2.70 2.83 0.00 0.00 6.97 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 Y 8.05 4.40 0.00 3.15 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 0.00 208 K 8.57 4.88 0.00 1.86 1.85 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 209 V 8.49 4.11 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 0.63 0.00 0.00 0.75 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.