NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0767 8.0549 120.2993 61.4457 32.8371 174.2223 3 Q 4.7516 8.4594 121.7873 53.8212 31.4297 172.9402 4 A 4.8947 8.4072 123.9080 50.3310 23.6736 174.3411 5 W 5.5034 8.2141 116.0503 55.5051 32.3565 174.7922 6 Y 4.4842 8.9046 119.4364 57.8726 39.2652 173.8949 *8 D 4.6457 8.3437 118.7278 54.2233 40.4040 175.3043 9 E 4.6023 8.5950 115.4513 56.2063 29.9550 175.6757 10 S 4.3583 8.2901 115.3844 58.7335 62.8793 173.7980 11 T 4.3828 8.4831 115.7022 61.3511 69.1915 174.3693 12 A 4.3589 7.8288 125.2537 52.5450 20.2225 177.1348 13 D 4.3526 8.6315 117.7194 54.3433 37.7278 172.9154 14 P 4.1856 0.0000 0.0000 65.1203 31.6629 178.7555 15 R 4.3083 7.6899 116.2471 57.4768 30.4777 176.8766 16 K 4.3656 7.6385 117.2623 55.3694 32.6517 175.5060 17 P 4.3763 0.0000 0.0000 64.2900 31.5409 176.5936 18 H 4.2890 7.9554 112.5165 55.6163 26.1741 175.0863 19 R 4.1028 7.8451 116.9520 55.7615 30.2100 177.6408 20 A 4.2945 8.9798 125.8472 52.3942 19.9663 176.2034 21 Q 4.9326 8.4153 118.4491 53.2901 31.5034 174.1756 22 P 4.4964 0.0000 0.0000 61.7735 32.4252 175.7245 23 D 4.6161 8.4267 117.9966 54.7835 41.1718 177.5015 24 R 4.8082 8.3501 121.5988 53.3473 31.3421 172.6829 25 P 5.0394 0.0000 0.0000 62.6135 32.6979 176.0644 26 V 4.6117 8.5454 121.7406 61.2139 33.9036 175.5750 27 S 4.6409 8.5680 121.7089 57.0198 64.8398 174.9646 28 L 3.9134 8.3411 120.8687 57.8459 41.0949 179.3845 29 E 3.8940 8.1078 118.8260 59.3803 29.4173 178.5380 30 Q 3.9973 7.8973 118.3919 59.1820 29.3988 177.8308 31 L 4.1418 7.9731 120.0979 57.8866 41.5306 179.7402 32 R 4.2620 8.4742 119.7667 58.7466 29.7380 179.0839 33 T 3.8852 7.6592 108.6468 64.1815 68.7235 175.5281 34 L 4.6148 7.8182 119.7765 54.5425 42.0689 177.4972 35 G 3.9179 8.4912 107.9412 45.1501 0.0000 173.3654 36 V 4.1851 7.5746 120.5582 61.9404 32.7678 174.8313 37 L 4.7275 8.4071 127.4566 53.1524 44.9603 174.8458 38 Y 4.7556 7.3544 120.7720 55.8440 41.8880 174.1713 39 W 4.8182 7.7968 124.0751 54.6210 33.4704 174.0877 40 K 4.6258 8.5138 123.9173 54.8628 33.1817 175.1366 41 L 4.8827 8.9879 126.6061 52.7884 46.3043 176.2434 42 D 4.6027 8.6636 119.6157 53.1612 40.2477 176.7321 43 A 4.7104 8.4917 129.8038 54.2133 18.7113 178.3263 44 D 4.5617 8.2355 115.2980 56.9276 41.1132 177.3174 45 K 4.4686 8.2792 118.2231 56.2469 32.0497 178.1471 46 Y 4.3140 7.9373 119.7486 59.9582 37.9984 177.3111 47 E 3.9500 7.1803 118.7070 58.5313 29.8425 176.9419 48 N 4.7997 7.8778 116.4742 51.1359 40.2991 171.4200 49 D 4.7183 7.9845 118.4481 50.7612 44.1488 172.9816 50 P 4.2745 0.0000 0.0000 65.7012 30.9410 178.4863 51 E 3.9657 8.6085 117.6211 59.0392 29.2712 179.0173 52 L 3.7460 7.7449 120.1195 57.9553 42.1667 178.4238 53 E 3.8640 8.2087 119.3382 59.1060 29.3062 178.8527 54 K 3.8449 7.7467 117.7555 59.4643 32.1577 179.1020 55 I 3.4975 6.9347 118.3931 64.2739 37.2754 178.3598 56 R 4.0633 7.9043 118.9728 59.0309 29.3611 179.9105 57 K 4.0149 7.9533 115.7006 56.9332 31.6803 178.6879 *59 R 3.9141 7.8541 116.7392 54.8721 31.7880 175.3289 60 N 4.2489 7.4725 113.6266 54.6859 36.4131 173.9579 61 Y 4.9993 7.4104 117.4251 57.5148 35.4555 175.8501 62 S 4.5192 8.4695 114.6282 59.1114 64.7090 174.0899 63 W 4.9524 8.3670 130.3819 55.5156 34.6887 173.4090 *65 D 4.3053 8.3820 121.2227 53.0510 39.8123 174.3496 66 I 4.5651 7.9530 118.6564 59.3559 39.9672 174.9852 67 I 4.6080 8.4933 124.6485 59.3679 41.3897 174.0045 68 T 4.8073 8.4591 123.9044 61.8140 71.3598 173.2615 69 I 4.6204 8.5438 128.5012 60.2848 39.2237 174.4651 70 C 4.8581 8.8572 119.8653 57.3511 31.9699 175.2386 71 K 2.4800 8.3433 120.7531 59.4826 31.9223 177.9412 72 D 4.4162 7.8290 116.7848 57.3039 41.2179 177.9970 73 T 4.0219 7.7451 107.4050 63.9988 69.2960 174.8192 74 L 4.2175 7.6297 124.2778 53.6719 42.5506 174.4818 75 P 4.3866 0.0000 0.0000 63.3586 32.4543 175.5431 76 N 4.1629 8.8407 119.3719 55.1120 37.2813 175.4758 77 Y 4.0706 8.0967 119.5709 61.0083 39.2253 176.2265 78 E 3.7327 8.3160 118.9601 59.1787 29.3329 179.0302 79 E 3.7794 7.8783 117.9756 59.2214 29.9918 178.2608 80 K 3.4826 7.5231 117.0002 59.4578 32.1081 179.0046 81 I 3.8753 7.2244 118.8378 64.0103 36.7333 178.7803 82 K 3.8869 7.3569 116.2150 57.7255 31.7436 178.0453 *84 F 5.0886 8.0155 118.4601 57.0808 40.7437 176.3080 85 F 4.6287 7.9491 119.5112 58.7829 39.5841 175.3531 86 E 4.1487 8.0247 120.1391 56.4847 30.1841 176.3377 87 E 4.4696 8.8040 125.8800 56.9033 30.9380 175.1854 88 H 5.6174 9.1771 121.5910 54.8121 32.8509 171.7262 89 L 5.3818 9.0796 118.2393 54.4251 44.4034 174.8833 90 H 5.3710 8.4881 114.8106 53.9594 32.7016 174.6246 91 L 4.2578 8.6382 118.7610 55.5010 41.7684 175.8943 92 D 4.8707 7.4650 117.4020 51.9910 45.3045 174.8757 93 E 4.1597 8.4995 118.9248 56.7820 30.5343 176.6087 94 E 4.5735 9.0124 124.4251 54.7595 31.8013 174.5401 95 I 4.9570 8.2739 128.0091 59.5386 40.1271 175.0006 96 R 4.8819 8.7482 125.4442 54.4820 34.2262 174.0655 97 Y 5.0457 8.5173 123.8543 55.8869 41.7907 174.2105 98 I 4.2522 9.0641 129.3320 61.1805 37.7298 176.6730 99 L 4.0545 8.5776 127.9806 56.2825 42.7874 176.8810 100 E 4.5301 7.6432 115.7148 55.9487 34.0979 176.7062 101 G 3.9840 9.5226 108.8301 46.6623 0.0000 172.6869 102 S 4.5006 8.0094 115.0334 58.2048 65.9432 175.5663 103 G 3.7838 7.7898 106.1071 46.2453 0.0000 171.5065 104 Y 5.2784 7.9938 117.1370 56.1832 41.4902 174.9850 105 F 5.2230 9.2468 122.8002 55.9449 41.4874 174.2986 106 D 5.4476 9.1448 124.0235 52.7761 43.3042 175.9967 107 V 5.0821 9.0599 115.2250 59.7280 36.3061 174.9182 108 R 4.5976 8.4760 122.3583 55.8192 31.0572 176.8239 109 D 4.8172 8.9191 123.6524 52.0427 41.5392 177.1268 110 K 3.9934 8.6004 117.3133 59.1977 32.0656 177.8053 111 E 4.4350 8.3605 116.5747 55.6714 29.4128 175.3385 112 D 4.3325 8.0089 117.2302 55.4001 38.9727 173.6456 113 K 4.6199 8.7486 117.6649 54.5304 34.7340 176.1629 114 W 5.0840 8.7894 123.5212 56.8527 29.9535 175.5840 115 I 4.4128 9.2392 125.8546 59.4124 39.5217 174.3814 116 R 4.8315 8.5224 127.2026 53.8501 32.1697 174.6451 117 I 4.3617 8.5770 127.6387 59.6482 39.3358 175.7031 118 S 4.9195 8.4572 122.9032 57.3916 64.2703 172.3084 *120 E 4.2933 8.3307 120.6394 55.3073 30.3518 175.1504 121 K 4.0448 8.5269 120.3238 58.7752 32.3736 176.5068 122 G 4.1946 9.6603 115.3511 45.4888 0.0000 173.1698 123 D 4.8232 8.2555 120.0381 53.2578 42.8101 174.6024 *125 I 4.4092 7.8128 118.5880 61.4989 39.6545 174.0352 126 T 5.0474 8.6450 122.2559 60.2860 70.2639 172.3046 127 L 4.9061 8.8041 129.4798 52.3823 43.8081 174.5773 128 P 4.5999 0.0000 0.0000 61.9487 32.9217 175.7522 129 A 4.2009 8.3195 124.1901 54.2531 18.6173 178.0189 130 G 3.7840 8.3807 111.1108 44.8352 0.0000 173.7945 131 I 3.3895 6.3009 119.9349 60.6962 38.9352 175.0599 132 Y 4.9441 8.4785 127.1654 58.2009 39.2081 174.2399 133 H 5.8486 9.3691 119.0732 55.4332 32.8667 171.9816 134 R 5.0537 8.7473 114.0429 55.5873 32.9560 173.4815 135 F 5.1233 9.2152 121.4733 56.8537 42.5866 173.5603 136 T 4.2209 7.3847 118.3767 59.8374 71.0424 173.0945 137 L 4.1535 8.0504 126.1287 54.9733 42.8112 176.9334 138 D 4.8553 7.8116 120.2059 52.1847 41.8171 176.5855 139 E 4.0170 8.6116 117.1340 59.2071 29.5119 178.1194 140 K 4.1301 8.3671 117.2286 56.7582 32.4482 176.4103 141 N 4.2639 8.0174 115.7340 53.5069 36.8362 173.6647 142 Y 5.1537 7.5863 116.1290 56.7515 42.7661 173.4317 143 V 4.4514 7.9159 125.1933 59.8765 35.5800 173.3389 144 K 4.7363 8.5275 124.7325 54.1975 34.2927 172.7864 145 A 5.2771 8.5219 132.8801 49.9471 22.7287 175.4831 *147 R 4.5175 8.6359 114.8617 57.5267 31.2223 175.0764 148 L 5.4293 8.5712 122.7801 53.3793 45.4542 175.5532 149 F 4.5559 9.1025 121.3147 57.0186 43.3741 173.8672 150 V 4.2535 7.3938 125.1650 63.0566 30.8564 176.3643 151 G 3.9137 8.7332 117.6094 44.1309 0.0000 170.7044 152 E 3.5524 8.3998 118.4778 55.3174 29.8892 175.3343 153 P 2.0000 0.0000 0.0000 61.1439 31.7977 175.8344 154 V 3.6520 5.6682 119.1389 60.9039 33.4829 175.2264 155 W 4.8431 8.2116 125.9256 56.8537 29.6777 176.5867 156 T 3.7534 7.8760 116.0023 63.6964 68.1189 171.6137 157 P 4.7393 0.0000 0.0000 62.2850 33.3175 175.3458 158 Y 4.6994 8.6089 119.4348 56.1175 40.3421 174.8855 159 N 5.1105 8.9383 122.5334 52.9012 39.4300 175.4338 160 R 4.3191 8.6880 124.5650 55.8769 30.7975 174.4585 161 P 4.5395 0.0000 0.0000 62.8217 32.2698 176.1821 162 A 5.0154 9.2898 126.4287 52.0017 19.4489 177.4172 163 D 4.5339 8.4961 121.2299 57.7420 41.4747 177.9143 164 H 4.3787 7.9626 113.6544 57.3076 29.3618 176.4750 165 F 4.1217 7.1856 119.8192 57.0836 40.4613 175.6816 166 D 4.4224 8.9500 122.0503 57.8083 40.6637 179.2642 167 A 4.0197 8.0392 120.5554 54.9842 18.1459 179.6085 168 R 3.8289 7.7868 116.0765 59.4961 30.4269 178.1954 169 V 3.7811 7.6539 116.7580 66.4097 31.7227 177.7372 170 Q 4.2394 8.5229 117.9926 58.8363 28.4216 178.6536 171 Y 4.4736 7.9519 118.5457 58.2059 38.7640 177.5589 *173 S 4.2883 8.0830 114.9483 57.6888 64.5846 175.3845 174 F 4.2093 8.4231 122.0880 61.3250 38.9084 177.0753 175 L 3.6314 7.9044 118.5886 57.7272 41.1038 179.3394 176 E 3.9949 7.5501 116.4204 58.9186 29.4351 178.8493 177 G 3.6933 7.5405 103.8442 44.7715 0.0000 173.5865 178 T 4.2244 6.5097 110.8333 59.3185 70.8768 174.7599 179 A 4.0985 8.2850 123.2308 52.6130 18.3349 177.4606 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 2 V 8.05 4.08 1.68 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 0.05 0.00 0.00 0.83 0.00 0.00 3 Q 8.46 4.75 0.00 2.38 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 4 A 8.41 4.89 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 5 W 8.21 5.50 0.00 3.39 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 6 Y 8.90 4.48 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *8 D 8.34 4.65 0.00 2.99 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.60 4.60 0.00 2.14 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 0.00 2.24 2.25 0.00 10 S 8.29 4.36 0.00 3.94 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 0.00 11 T 8.48 4.38 4.28 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 1.26 0.00 0.00 12 A 7.83 4.36 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 13 D 8.63 4.35 0.00 2.85 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 14 P 0.00 4.19 0.00 1.13 1.44 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 15 R 7.69 4.31 0.00 1.80 1.88 0.00 3.39 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 16 K 7.64 4.37 0.00 1.81 1.68 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.41 7.81 17 P 0.00 4.38 0.00 1.91 2.11 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 18 H 7.96 4.29 0.00 3.35 3.44 0.00 5.75 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 19 R 7.85 4.10 0.00 1.42 1.57 0.00 2.71 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 20 A 8.98 4.29 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 21 Q 8.42 4.93 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 22 P 0.00 4.50 0.00 2.18 2.05 0.00 3.80 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 1.99 1.98 0.00 23 D 8.43 4.62 0.00 2.68 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 24 R 8.35 4.81 0.00 2.00 2.02 0.00 3.09 0.00 0.00 3.40 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 25 P 0.00 5.04 0.00 2.16 2.15 0.00 3.79 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 2.06 2.02 0.00 26 V 8.55 4.61 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 0.78 0.00 0.00 0.71 0.00 0.00 27 S 8.57 4.64 0.00 4.04 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 28 L 8.34 3.91 0.00 1.66 1.71 0.78 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.11 3.89 0.00 2.12 1.95 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 2.38 1.94 0.00 30 Q 7.90 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 31 L 7.97 4.14 0.00 1.88 1.68 0.83 0.94 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 32 R 8.47 4.26 0.00 2.02 2.01 0.00 3.11 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 33 T 7.66 3.89 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 1.27 0.00 0.00 34 L 7.82 4.61 0.00 1.91 1.94 0.98 1.10 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 35 G 8.49 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 36 V 7.57 4.19 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 0.93 0.00 0.00 0.94 0.00 0.00 37 L 8.41 4.73 0.00 1.18 0.79 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.35 4.76 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.80 4.82 0.00 2.96 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 40 K 8.51 4.63 0.00 1.90 1.76 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.65 7.81 41 L 8.99 4.88 0.00 1.43 1.53 0.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.66 4.60 0.00 2.73 2.64 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 43 A 8.49 4.71 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 44 D 8.24 4.56 0.00 2.88 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 45 K 8.28 4.47 0.00 2.04 1.82 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.51 7.81 46 Y 7.94 4.31 0.00 3.08 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 47 E 7.18 3.95 0.00 1.65 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 0.00 1.89 1.47 0.00 48 N 7.88 4.80 0.00 2.56 2.61 0.00 0.00 6.87 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.98 4.72 0.00 3.06 2.52 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 50 P 0.00 4.27 0.00 2.18 2.07 0.00 3.64 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 2.10 2.17 0.00 51 E 8.61 3.97 0.00 2.21 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 2.31 2.45 0.00 52 L 7.74 3.75 0.00 1.69 1.82 0.71 1.03 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 53 E 8.21 3.86 0.00 2.25 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 2.28 2.36 0.00 54 K 7.75 3.84 0.00 1.85 1.78 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.63 7.81 55 I 6.93 3.50 1.53 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.03 -0.27 0.00 0.00 56 R 7.90 4.06 0.00 1.94 2.13 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 57 K 7.95 4.01 0.00 1.77 1.75 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 *59 R 7.85 3.91 0.00 0.67 0.75 0.00 3.38 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.00 60 N 7.47 4.25 0.00 2.89 2.90 0.00 0.00 6.95 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 61 Y 7.41 5.00 0.00 2.86 2.81 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 0.00 0.00 0.00 0.00 62 S 8.47 4.52 0.00 3.97 4.06 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 63 W 8.37 4.95 0.00 3.53 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 *65 D 8.38 4.31 0.00 2.70 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 0.00 0.00 0.00 0.00 66 I 7.95 4.57 1.81 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 1.26 0.95 0.81 0.00 0.00 67 I 8.49 4.61 1.72 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 1.23 1.77 0.69 0.00 0.00 68 T 8.46 4.81 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 1.36 0.00 0.00 69 I 8.54 4.62 1.90 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 1.44 1.18 0.00 0.00 70 C 8.86 4.86 0.00 3.05 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.34 2.48 0.00 1.72 1.64 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.09 7.81 72 D 7.83 4.42 0.00 2.60 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 73 T 7.75 4.02 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 1.23 0.00 0.00 74 L 7.63 4.22 0.00 1.80 1.89 1.03 1.09 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 75 P 0.00 4.39 0.00 2.10 1.98 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 76 N 8.84 4.16 0.00 2.96 2.81 0.00 0.00 6.83 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 77 Y 8.10 4.07 0.00 3.30 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.47 0.00 2.31 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 2.56 0.00 88 H 9.18 5.62 0.00 3.28 3.59 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.08 5.38 0.00 1.56 1.60 0.80 0.54 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 90 H 8.49 5.37 0.00 3.28 3.25 0.00 5.61 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 91 L 8.64 4.26 0.00 1.61 1.62 0.74 0.21 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 92 D 7.46 4.87 0.00 2.35 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 0.00 0.00 0.00 93 E 8.50 4.16 0.00 1.65 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 2.27 2.24 0.00 94 E 9.01 4.57 0.00 2.06 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 2.17 2.30 0.00 95 I 8.27 4.96 1.72 0.00 0.00 0.33 0.00 0.00 0.00 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0.00 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 I 6.30 3.39 1.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.83 0.00 0.00 132 Y 8.48 4.94 0.00 2.89 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 0.00 133 H 9.37 5.85 0.00 3.48 3.50 0.00 5.30 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.75 5.05 0.00 1.76 1.85 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.12 0.00 135 F 9.22 5.12 0.00 2.72 2.81 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 0.00 0.00 0.00 0.00 136 T 7.38 4.22 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 1.00 0.00 0.00 137 L 8.05 4.15 0.00 1.48 1.52 1.06 1.13 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 0.00 138 D 7.81 4.86 0.00 2.66 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 0.00 0.00 0.00 139 E 8.61 4.02 0.00 2.00 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 2.33 2.55 0.00 140 K 8.37 4.13 0.00 1.90 1.90 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 141 N 8.02 4.26 0.00 2.88 2.96 0.00 0.00 6.68 8.21 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 0.00 142 Y 7.59 5.15 0.00 3.03 2.79 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 0.00 143 V 7.92 4.45 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 0.67 0.00 0.00 0.88 0.00 0.00 144 K 8.53 4.74 0.00 1.61 1.47 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.52 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.06 1.21 7.81 145 A 8.52 5.28 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 *147 R 8.64 4.52 0.00 2.19 2.16 0.00 2.23 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 148 L 8.57 5.43 0.00 1.19 1.43 0.92 0.83 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 0.00 149 F 9.10 4.56 0.00 3.04 2.89 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 0.00 150 V 7.39 4.25 1.95 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 1.18 0.00 0.00 1.02 0.00 0.00 151 G 8.73 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 0.00 0.00 0.00 152 E 8.40 3.55 0.00 1.76 1.57 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 2.28 2.17 0.00 153 P 0.00 2.00 0.00 0.49 0.49 0.00 2.66 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 0.83 0.44 0.00 154 V 5.67 3.65 1.87 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 0.76 0.00 0.00 0.66 0.00 0.00 155 W 8.21 4.84 0.00 3.29 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 0.00 156 T 7.88 3.75 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 0.72 0.00 0.00 157 P 0.00 4.74 0.00 1.95 1.91 0.00 3.57 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 1.85 1.94 0.00 158 Y 8.61 4.70 0.00 2.91 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 N 8.94 5.11 0.00 2.70 2.83 0.00 0.00 7.10 7.66 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 0.00 160 R 8.69 4.32 0.00 1.36 1.63 0.00 2.21 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.00 161 P 0.00 4.54 0.00 2.28 2.06 0.00 3.80 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 1.98 0.00 162 A 9.29 5.02 1.66 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 0.00 0.00 163 D 8.50 4.53 0.00 2.76 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 0.00 164 H 7.96 4.38 0.00 3.11 3.27 0.00 5.53 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 0.00 165 F 7.19 4.12 0.00 3.08 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 0.00 166 D 8.95 4.42 0.00 2.73 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 0.00 167 A 8.04 4.02 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 0.00 168 R 7.79 3.83 0.00 1.79 2.20 0.00 3.36 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 169 V 7.65 3.78 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 0.91 0.00 0.00 0.98 0.00 0.00 170 Q 8.52 4.24 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 171 Y 7.95 4.47 0.00 3.28 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 *173 S 8.08 4.29 0.00 3.92 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 0.00 174 F 8.42 4.21 0.00 3.16 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 0.00 175 L 7.90 3.63 0.00 1.50 1.52 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 176 E 7.55 3.99 0.00 1.91 1.95 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 2.28 2.43 0.00 177 G 7.54 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 6.51 4.22 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 0.52 0.00 0.00 179 A 8.29 4.10 1.23 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 * Residues marked with a * may have inaccurate shift predictions.