NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 D 4.5773 8.2227 120.1911 53.8336 42.3536 175.7395 19 I 3.4430 8.2530 127.3288 64.0323 37.4624 176.0538 20 Y 4.3884 8.6885 118.4107 61.0335 37.9939 177.7180 21 S 4.2935 8.9922 116.0331 61.2661 63.2027 176.6351 22 R 4.1191 7.9585 120.5902 59.3538 29.9560 179.0222 23 L 4.2260 8.0093 117.9532 56.9395 41.5268 179.1411 24 L 4.1592 7.7348 120.3444 57.7759 41.8338 178.5750 25 K 4.2475 8.1178 117.2454 57.9965 31.9611 177.6013 26 E 4.5159 7.9027 118.3039 54.7471 30.8537 175.3905 27 R 3.7711 7.9622 114.8644 57.2088 28.4009 176.1888 28 V 4.9171 8.0320 116.3486 61.3786 33.7472 175.1626 29 I 4.6689 8.2863 128.3892 59.6485 40.1778 174.5536 30 F 5.2471 8.7753 123.0048 55.9380 41.5494 175.5547 31 L 4.6096 9.7858 127.8068 53.7076 41.6227 173.8460 32 T 4.8837 8.2636 119.4741 62.5117 70.9505 175.8378 33 G 3.7711 8.8426 114.0804 44.6174 0.0000 171.4879 34 Q 4.4362 8.3987 120.3991 55.7825 30.0828 177.0751 35 V 4.0582 8.8909 127.7349 62.6774 32.6129 174.6036 36 E 4.9770 8.5650 124.7974 53.7257 33.3637 175.8362 37 D 4.4114 8.9592 119.4520 58.1521 40.6769 179.2697 38 H 4.4197 8.5874 116.4040 58.9953 28.9331 177.6766 39 M 4.0767 8.3807 118.6435 58.3331 30.8356 178.5149 40 A 3.9831 8.1871 121.7912 54.9696 18.6072 179.0023 41 N 4.2739 8.3799 115.7275 56.7221 39.0490 176.7763 42 L 3.9518 7.9474 121.6853 58.1404 42.1872 179.0514 43 I 3.6974 7.6825 119.6774 64.4053 37.1308 178.2804 44 V 3.5901 8.1769 119.2666 66.3266 31.3714 177.7501 45 A 4.0784 8.5064 120.5111 55.4944 18.0560 179.5412 46 Q 4.2244 8.0836 116.0315 58.8381 28.8001 178.6228 47 M 4.0686 8.0455 120.0230 58.4845 32.0954 178.4470 48 L 4.0447 8.0624 119.0242 58.0842 41.7022 179.6183 49 F 4.2253 8.2919 120.1359 61.2941 39.3038 177.2958 50 L 3.7138 8.3059 118.9491 57.4706 41.1805 178.9010 51 E 3.7891 8.3173 118.6422 59.1623 29.6030 178.1961 52 A 4.0699 7.7221 119.6323 55.4573 18.4728 178.9138 53 E 4.1997 7.2619 116.1159 57.9714 29.2041 176.1876 54 N 4.5939 8.1017 118.2855 52.0066 39.8823 172.6244 55 P 4.1002 0.0000 0.0000 64.0913 31.9294 177.3268 56 E 4.3169 7.8561 118.3108 58.0137 30.5655 177.0120 57 K 4.0941 7.2658 117.2179 56.4826 32.5786 177.1653 58 D 4.6009 8.5884 123.4041 54.5229 42.0311 175.4745 59 I 4.4404 8.1779 119.9827 59.8004 41.0936 174.7682 60 Y 4.9415 8.6761 123.8179 56.1746 39.7756 174.2489 61 L 4.6500 8.8983 127.8941 54.0046 42.8689 174.8688 62 Y 4.7561 8.6308 125.5044 57.7446 39.6035 174.9429 63 I 4.8569 8.9588 124.7358 59.7989 40.3289 174.1028 64 N 5.1839 9.3960 126.7591 51.5853 40.4058 172.1229 65 S 5.1834 9.4676 118.9293 54.8868 66.1257 172.2806 66 P 4.5752 0.0000 0.0000 62.5178 32.3710 174.4656 67 G 3.9846 6.9192 103.4440 46.7148 0.0000 172.4710 68 G 3.6369 8.0093 105.8720 45.9135 0.0000 171.9939 69 V 3.8813 7.6949 120.7153 62.8133 32.4473 178.1205 70 I 3.5869 9.0029 129.0523 64.8614 36.8083 179.0998 71 T 4.0074 7.8022 108.6276 64.5994 68.4826 175.6871 72 A 4.1985 8.0831 123.3638 55.2063 18.4119 179.5217 73 G 3.6794 8.0497 103.4168 48.3281 0.0000 175.5154 74 M 4.2934 8.7507 120.8434 57.3990 31.8641 178.8553 75 S 4.2821 7.8847 114.8625 61.2477 63.4522 176.5327 76 I 3.7473 7.7798 122.9835 64.1582 37.0430 177.5238 77 Y 4.0612 8.5302 120.6824 61.0745 38.7788 177.9627 78 D 4.5082 8.5222 119.7434 57.4723 40.8716 178.9979 79 T 3.9348 8.2185 116.4773 67.0344 68.3064 176.1982 80 M 3.9619 7.7508 119.0107 58.9460 32.0903 178.6956 81 Q 4.0383 7.6012 116.0902 58.2386 28.9453 178.1124 82 F 4.3995 7.8757 121.5342 60.1219 40.0004 176.1147 83 I 3.6735 7.0268 110.7086 60.2774 38.1088 176.0683 84 K 3.9043 8.2948 122.4091 59.1975 32.0700 176.4020 85 P 4.3611 0.0000 0.0000 62.5949 32.1448 176.1534 86 D 4.3536 8.5512 122.8294 54.3808 42.4530 175.6883 87 V 4.4255 8.1686 123.5521 61.0620 32.3611 173.9234 88 S 4.7745 8.7067 123.6400 58.1848 63.8526 172.5570 89 T 4.9663 8.4479 117.9096 60.2606 70.6739 173.1835 90 I 4.6846 8.0356 127.5821 59.8014 39.3413 174.2578 91 C 5.3959 8.7684 127.0799 57.8592 33.5847 172.3535 92 M 4.5905 8.4538 122.4049 55.5822 33.7034 174.1196 93 G 3.8579 10.2407 109.7003 45.5059 0.0000 173.0567 94 Q 4.8311 6.8343 112.8606 54.5001 33.4632 174.7291 95 A 5.1107 8.6549 121.5857 50.2831 21.2701 174.0030 96 A 5.2244 9.0618 123.1112 51.1544 22.0130 176.5851 97 S 3.4234 9.1997 116.9404 58.9296 64.9273 175.3850 98 M 4.0667 9.1252 119.0603 58.6045 31.3161 176.9062 99 G 3.6576 8.2409 105.6378 47.8023 0.0000 175.2937 100 A 4.0756 7.9235 123.5427 54.5564 18.4078 179.1508 101 F 4.0124 8.7126 119.3381 61.7339 39.2908 177.4883 102 L 4.1767 7.9175 116.5869 57.3881 41.7913 178.8539 103 L 4.0949 8.0991 120.5482 58.7335 41.8197 179.1984 104 T 4.2691 8.5154 113.9184 64.1345 67.0506 175.3685 105 A 3.9325 7.6806 121.2023 52.4812 18.5706 177.5731 106 G 3.8181 7.0835 104.1533 45.4500 0.0000 173.6670 107 A 4.1489 8.4356 122.2673 52.0055 19.4649 177.1984 108 K 4.1030 8.4895 123.5109 57.7218 32.5915 177.3663 109 G 3.9677 9.6810 115.6232 45.1951 0.0000 173.2930 110 K 4.5677 7.8198 118.6967 56.0875 34.2755 175.4515 111 R 4.7429 8.5361 119.8070 54.4972 32.7362 175.5070 112 F 5.4793 9.5962 121.7220 55.8945 44.0896 173.6295 113 C 5.3248 8.7527 116.2684 57.9255 32.0673 174.1368 114 L 4.2752 8.9933 124.3837 54.1496 41.9005 176.4559 115 P 4.2873 0.0000 0.0000 65.5581 31.3820 177.0244 116 N 4.8922 7.9172 112.7797 52.9106 38.8361 174.8469 117 S 4.5627 8.1518 114.2913 58.4769 64.7069 174.7853 118 R 4.8631 8.0559 119.8494 54.1383 30.5979 173.7803 119 V 4.3026 8.0285 123.1226 63.0164 33.4470 173.8352 120 M 5.0282 8.8722 124.1745 54.6853 36.1168 173.3638 121 I 4.9949 8.4382 124.4226 59.0656 40.9638 175.0961 122 H 5.3928 8.5470 132.1279 56.1122 28.6437 174.5450 123 Q 4.3216 7.3871 120.2828 55.0049 30.5971 172.9034 124 P 4.7606 0.0000 0.0000 62.0462 33.7576 176.8043 125 L 4.2354 8.2546 121.4113 55.3969 46.2265 172.8311 126 G 4.1424 8.8042 111.0628 46.7629 0.0000 175.1997 *138 H 4.5664 9.3910 129.6662 55.4333 29.5319 173.2455 139 C 4.1333 8.5503 125.5165 62.4948 31.5950 175.4922 140 R 3.9955 7.9254 119.0527 58.8389 29.6995 178.4644 141 E 3.9592 8.1265 119.1585 59.1509 29.7119 178.6611 142 I 3.7191 7.5286 119.9757 64.4198 37.1977 178.4682 143 L 4.1463 8.0980 119.8232 57.3494 41.3824 179.5313 144 K 3.9327 8.0325 119.8643 59.3571 32.0858 179.1197 145 V 3.5030 7.8057 118.4922 65.9068 31.5142 177.6597 146 K 3.8824 8.5012 119.9654 59.6657 31.9348 178.8645 147 G 3.5873 8.1857 105.7895 47.7364 0.0000 175.6608 148 R 4.0795 7.9699 121.2352 59.3450 30.0089 178.3825 149 M 4.0354 8.2271 118.6231 58.7165 32.0437 178.3177 150 N 4.3595 8.2150 116.3548 56.5076 38.6322 177.3864 151 E 3.9842 8.3056 119.6873 59.4928 29.6489 179.3232 152 L 4.0365 8.0009 118.9612 58.0127 41.6435 179.3165 153 M 3.9606 8.4652 117.9650 58.4948 32.2731 177.9040 154 A 4.0015 8.1217 120.8964 55.3207 18.3585 179.2643 155 L 3.8915 7.8887 117.3167 58.7563 42.1762 178.6777 156 H 4.3167 8.2180 115.3696 58.7119 28.7410 177.2084 157 T 5.0061 7.9613 111.6954 61.0778 68.8196 176.2319 158 G 3.8618 7.7360 109.5148 46.1346 0.0000 173.7386 159 Q 4.2522 7.2845 117.3941 54.2966 29.6966 176.1205 160 S 4.4200 8.0873 114.6151 57.8703 65.2334 174.8154 161 L 3.9767 8.7491 122.7984 59.2576 41.9467 179.6650 162 E 3.6850 7.4300 117.1227 58.7778 29.8487 179.2449 163 Q 3.9177 8.6025 119.7665 59.2743 29.3348 178.0404 164 I 3.8156 7.4188 119.6073 64.8631 37.4001 178.0809 165 E 4.0131 8.2928 118.9203 59.2766 29.0477 179.4836 166 R 3.9492 7.6292 117.4467 59.7455 30.5004 178.0672 167 D 4.5253 8.6799 119.3677 57.0923 40.6347 178.5652 168 T 3.8752 8.1736 110.1136 65.2018 68.6907 175.9352 169 E 4.0449 7.5584 118.1705 56.1254 29.6685 176.6682 170 R 4.3012 7.5670 120.9979 54.5741 31.1626 175.8040 171 D 4.5810 8.2716 125.5657 52.1418 38.6012 175.2002 172 R 4.4124 7.5464 123.5339 55.5267 32.9505 174.1849 173 F 4.7708 8.4900 121.4545 56.7951 40.4619 174.8648 174 L 5.1193 8.8661 121.0843 53.0698 44.5574 176.9367 175 S 4.4503 9.1398 118.0778 57.5013 65.0416 175.0655 176 A 4.0302 8.8834 121.3760 55.0798 18.1051 178.1010 177 P 4.3631 0.0000 0.0000 65.5291 31.4270 178.3296 178 E 4.0607 7.8886 117.8855 59.2241 29.4459 178.8402 179 A 4.0747 8.2908 120.8736 54.7384 18.2073 180.0090 180 V 3.7749 7.5133 117.9855 65.7904 31.4718 177.9209 181 E 3.9772 7.8329 116.6632 59.8245 29.4910 178.6667 182 Y 4.1150 8.1305 117.4866 58.6916 38.9926 176.4225 183 G 4.0295 7.7903 107.3558 47.1442 0.0000 175.5386 184 L 4.0079 8.3750 120.7371 56.5618 41.7268 177.5261 185 V 4.5969 7.4899 109.4565 59.5539 34.8931 175.6826 186 D 4.6718 8.5824 120.4336 56.5634 41.9026 176.9293 187 S 4.5512 7.4354 110.6258 57.8913 66.4025 174.0619 188 I 4.8367 8.2677 121.0498 59.6529 37.9717 176.1274 189 L 3.8909 8.5256 128.1992 55.3799 41.4525 175.4195 190 T 4.3773 8.7968 116.1725 62.8144 70.0571 172.8170 191 H 4.8380 7.5503 118.0932 53.6634 32.9880 173.4453 192 R 4.0079 8.6697 123.0972 56.9886 29.8592 176.1718 193 N 3.9723 8.5103 122.1436 54.3361 39.5483 174.6549 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 18 D 8.22 4.58 0.00 2.75 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 19 I 8.25 3.44 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.17 0.00 0.00 20 Y 8.69 4.39 0.00 3.23 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 21 S 8.99 4.29 0.00 3.98 3.96 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 22 R 7.96 4.12 0.00 2.09 1.99 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 23 L 8.01 4.23 0.00 1.92 1.86 1.12 0.60 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 24 L 7.73 4.16 0.00 2.08 1.95 1.07 0.76 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 25 K 8.12 4.25 0.00 1.95 1.91 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.75 7.81 26 E 7.90 4.52 0.00 2.00 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 2.25 2.41 0.00 27 R 7.96 3.77 0.00 2.12 1.93 0.00 3.11 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 28 V 8.03 4.92 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 0.57 0.00 0.00 1.17 0.00 0.00 29 I 8.29 4.67 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 1.02 0.00 0.00 30 F 8.78 5.25 0.00 2.89 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 31 L 9.79 4.61 0.00 1.73 1.80 0.99 0.27 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 32 T 8.26 4.88 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 1.22 0.00 0.00 33 G 8.84 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 0.00 0.00 0.00 34 Q 8.40 4.44 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 35 V 8.89 4.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.01 0.00 0.00 36 E 8.57 4.98 0.00 2.04 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 2.25 2.56 0.00 37 D 8.96 4.41 0.00 2.61 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 38 H 8.59 4.42 0.00 3.34 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.38 4.08 0.00 2.41 2.34 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.78 0.00 40 A 8.19 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 41 N 8.38 4.27 0.00 2.97 3.03 0.00 0.00 6.89 6.18 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 42 L 7.95 3.95 0.00 1.96 1.80 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.68 3.70 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.96 0.00 0.00 44 V 8.18 3.59 2.27 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 1.06 0.00 0.00 1.03 0.00 0.00 45 A 8.51 4.08 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 46 Q 8.08 4.22 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 47 M 8.05 4.07 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.61 0.00 48 L 8.06 4.04 0.00 1.80 1.82 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.29 4.23 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 50 L 8.31 3.71 0.00 1.83 1.64 0.97 1.17 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 51 E 8.32 3.79 0.00 1.87 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 2.27 2.25 0.00 52 A 7.72 4.07 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 53 E 7.26 4.20 0.00 1.54 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 54 N 8.10 4.59 0.00 2.65 2.57 0.00 0.00 6.92 7.34 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 55 P 0.00 4.10 0.00 2.14 2.08 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 56 E 7.86 4.32 0.00 1.90 1.99 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 2.22 2.36 0.00 57 K 7.27 4.09 0.00 1.76 1.72 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.41 7.81 58 D 8.59 4.60 0.00 2.18 2.14 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 59 I 8.18 4.44 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.86 0.00 0.00 60 Y 8.68 4.94 0.00 2.86 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 61 L 8.90 4.65 0.00 1.73 1.56 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.63 4.76 0.00 2.94 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 63 I 8.96 4.86 1.96 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 1.20 1.14 1.00 0.00 0.00 64 N 9.40 5.18 0.00 3.01 2.74 0.00 0.00 6.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.47 5.18 0.00 3.94 3.67 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 66 P 0.00 4.58 0.00 2.25 2.18 0.00 3.92 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 1.98 1.98 0.00 67 G 6.92 3.98 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 0.00 68 G 8.01 3.64 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 69 V 7.69 3.88 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 0.95 0.00 0.00 0.91 0.00 0.00 70 I 9.00 3.59 1.80 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 1.42 0.51 0.78 0.00 0.00 71 T 7.80 4.01 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 1.18 0.00 0.00 72 A 8.08 4.20 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 73 G 8.05 3.68 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 0.00 0.00 0.00 74 M 8.75 4.29 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 75 S 7.88 4.28 0.00 4.08 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 76 I 7.78 3.75 2.11 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 1.58 1.08 0.98 0.00 0.00 77 Y 8.53 4.06 0.00 3.29 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 78 D 8.52 4.51 0.00 2.97 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 79 T 8.22 3.93 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 1.28 0.00 0.00 80 M 7.75 3.96 0.00 1.87 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 81 Q 7.60 4.04 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 82 F 7.88 4.40 0.00 3.04 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.03 3.67 1.85 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 1.44 0.76 1.10 0.00 0.00 84 K 8.29 3.90 0.00 1.83 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.40 7.81 85 P 0.00 4.36 0.00 1.83 2.09 0.00 3.49 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 1.94 2.17 0.00 86 D 8.55 4.35 0.00 2.71 2.50 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 87 V 8.17 4.43 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 0.91 0.00 0.00 0.86 0.00 0.00 88 S 8.71 4.77 0.00 4.01 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.45 4.97 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 1.25 0.00 0.00 90 I 8.04 4.68 1.12 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.40 0.94 0.00 0.00 91 C 8.77 5.40 0.00 3.09 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 92 M 8.45 4.59 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 93 G 10.24 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 94 Q 6.83 4.83 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 95 A 8.65 5.11 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 96 A 9.06 5.22 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 97 S 9.20 3.42 0.00 4.14 3.10 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 98 M 9.13 4.07 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.68 0.00 99 G 8.24 3.66 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 0.00 100 A 7.92 4.08 1.53 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 0.00 0.00 0.00 101 F 8.71 4.01 0.00 3.10 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 0.00 102 L 7.92 4.18 0.00 1.83 1.83 1.06 1.10 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 0.00 103 L 8.10 4.09 0.00 1.89 1.86 0.98 0.58 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 0.00 104 T 8.52 4.27 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 1.05 0.00 0.00 105 A 7.68 3.93 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 0.00 106 G 7.08 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 0.00 107 A 8.44 4.15 1.20 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 0.00 0.00 108 K 8.49 4.10 0.00 1.72 1.68 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.46 7.81 109 G 9.68 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.82 4.57 0.00 1.82 1.86 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.36 7.81 111 R 8.54 4.74 0.00 1.59 1.72 0.00 3.03 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 112 F 9.60 5.48 0.00 2.83 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 0.00 113 C 8.75 5.32 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.99 4.28 0.00 1.73 1.62 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.29 0.00 2.04 2.15 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 116 N 7.92 4.89 0.00 2.67 2.79 0.00 0.00 6.92 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 0.00 117 S 8.15 4.56 0.00 3.86 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 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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 0.00 0.00 0.00 *138 H 9.39 4.57 0.00 3.22 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 C 8.55 4.13 0.00 2.98 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 0.00 140 R 7.93 4.00 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 141 E 8.13 3.96 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 142 I 7.53 3.72 2.02 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 0.24 0.89 0.00 0.00 143 L 8.10 4.15 0.00 1.69 1.71 0.92 0.55 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 0.00 144 K 8.03 3.93 0.00 1.95 1.97 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 145 V 7.81 3.50 2.17 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.71 0.00 154 A 8.12 4.00 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 0.00 155 L 7.89 3.89 0.00 1.65 1.93 0.92 1.10 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 0.00 156 H 8.22 4.32 0.00 3.21 3.30 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.96 5.01 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 1.38 0.00 0.00 158 G 7.74 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 0.00 159 Q 7.28 4.25 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.09 0.00 160 S 8.09 4.42 0.00 4.04 3.98 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 0.00 161 L 8.75 3.98 0.00 1.79 1.70 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.43 3.69 0.00 2.04 1.91 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 2.40 2.37 0.00 163 Q 8.60 3.92 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 164 I 7.42 3.82 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.76 1.05 0.00 0.00 165 E 8.29 4.01 0.00 2.14 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 2.34 2.44 0.00 166 R 7.63 3.95 0.00 1.84 2.16 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 167 D 8.68 4.53 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 0.00 168 T 8.17 3.88 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 1.31 0.00 0.00 169 E 7.56 4.04 0.00 2.05 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 2.42 2.52 0.00 170 R 7.57 4.30 0.00 1.72 1.87 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 171 D 8.27 4.58 0.00 2.74 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 0.00 0.00 0.00 172 R 7.55 4.41 0.00 1.71 1.73 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 173 F 8.49 4.77 0.00 3.02 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 0.00 174 L 8.87 5.12 0.00 1.81 1.56 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 175 S 9.14 4.45 0.00 3.93 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 0.00 176 A 8.88 4.03 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 0.00 177 P 0.00 4.36 0.00 2.30 2.35 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 2.10 2.08 0.00 178 E 7.89 4.06 0.00 2.35 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 0.00 2.37 2.36 0.00 179 A 8.29 4.07 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 0.00 180 V 7.51 3.77 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 1.23 0.00 0.00 1.02 0.00 0.00 181 E 7.83 3.98 0.00 2.21 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 0.00 2.38 2.36 0.00 182 Y 8.13 4.12 0.00 3.12 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 0.00 183 G 7.79 4.03 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 0.00 0.00 0.00 184 L 8.38 4.01 0.00 1.99 1.76 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.49 4.60 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 1.02 0.00 0.00 0.99 0.00 0.00 186 D 8.58 4.67 0.00 2.23 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 S 7.44 4.55 0.00 3.92 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 0.00 188 I 8.27 4.84 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 1.03 0.00 0.00 189 L 8.53 3.89 0.00 1.53 1.56 0.65 0.70 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 0.00 190 T 8.80 4.38 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 1.24 0.00 0.00 191 H 7.55 4.84 0.00 3.12 3.10 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 R 8.67 4.01 0.00 1.73 1.86 0.00 3.32 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 193 N 8.51 3.97 0.00 2.75 2.68 0.00 0.00 7.02 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 * Residues marked with a * may have inaccurate shift predictions.