NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.3755 7.9548 119.6970 61.5552 32.6300 174.8618 3 E 4.2330 8.4467 124.2248 54.5716 30.5902 174.6007 4 D 4.5551 9.1941 122.4884 54.9576 43.5218 175.2777 5 I 4.7635 8.7270 121.0332 59.3889 38.8248 174.3245 6 L 4.9869 7.8023 124.3691 52.5569 46.1590 174.7330 7 A 3.9203 7.2098 121.6031 51.7562 21.3610 174.0639 8 P 4.6873 0.0000 0.0000 63.0757 32.4433 177.5932 9 G 4.0444 8.8380 107.1122 45.9032 0.0000 174.0310 10 L 4.1727 7.2255 119.8199 55.0226 42.6502 178.3199 11 R 4.1850 9.0253 120.8596 58.4025 31.6700 176.9747 12 V 4.6503 7.4652 116.9854 61.0381 35.5588 173.9577 13 V 4.5382 8.1074 126.8405 61.0684 33.9731 174.2175 14 F 4.6674 9.4925 128.4510 56.9336 40.4975 174.3672 15 C 4.9643 9.5102 125.6911 57.7211 33.2275 173.7525 16 G 3.9548 9.4861 115.6194 46.3249 0.0000 171.7426 17 I 4.3540 8.5465 118.9354 61.7528 37.7435 175.6242 18 N 4.6670 7.7247 128.4416 51.3088 40.2971 174.9026 19 P 4.5831 0.0000 0.0000 61.9120 30.9830 179.1336 20 G 3.6879 9.4331 109.6737 48.6893 0.0000 176.5470 21 L 4.1989 7.7136 124.0105 56.2066 38.1046 175.8736 22 S 3.8552 8.5339 116.9430 60.4590 62.7403 173.7083 23 S 4.2641 9.1306 115.3624 61.6299 62.9723 175.6829 24 A 5.6112 7.3516 120.0454 51.0056 19.2712 176.9709 25 G 4.0443 9.6773 105.1226 47.6557 0.0000 175.1072 26 T 4.6078 7.8330 106.3016 60.5065 70.7136 174.4738 27 G 3.8026 8.2916 111.2195 45.3111 0.0000 173.8509 28 F 4.6832 7.8359 118.0206 55.8867 40.3123 173.0976 29 P 4.6866 0.0000 0.0000 62.9243 32.6678 176.1676 30 F 3.7982 7.8137 118.4303 58.7294 36.2943 176.1952 31 A 4.4033 8.4747 121.9619 53.9341 19.5467 178.0781 32 H 4.4234 8.2878 117.2787 54.8794 30.5009 174.1958 33 P 4.2511 0.0000 0.0000 65.4406 30.8072 176.6068 34 A 4.5055 8.2457 120.4388 51.8358 19.0996 175.2593 35 N 4.9279 8.1934 116.6389 53.1690 39.9812 174.9632 36 R 4.4092 8.5938 123.7918 56.3218 30.5029 177.8656 37 F 3.6305 8.7488 122.1311 61.2700 39.0062 177.0606 38 W 4.0234 7.4370 117.4035 59.7195 28.8938 178.3417 39 K 3.9868 8.0291 118.7611 59.4526 31.7476 178.7797 40 V 3.2936 8.0666 119.0131 65.8990 31.3841 178.0863 41 I 3.8441 7.4733 113.2119 64.2924 37.1403 177.0052 42 Y 4.2834 7.7715 122.6958 60.0431 38.3959 177.8439 43 Q 3.1718 8.1957 119.9007 58.6086 29.0302 178.5719 44 A 4.1681 8.1081 119.9663 52.5568 18.8329 178.1624 45 G 3.7379 8.3224 106.1265 45.2437 0.0000 174.7209 46 F 4.4155 8.0145 119.0019 59.0185 39.3612 175.4497 47 T 4.2558 7.4744 109.5585 59.7606 71.5866 173.7330 48 D 4.9248 8.5968 120.0383 53.6331 40.2548 175.9472 49 R 3.8716 7.2581 114.7814 54.7779 32.0991 174.3999 50 Q 3.9870 7.5185 119.8831 54.7908 28.2614 175.4166 51 L 4.2497 8.2177 125.4304 54.6538 42.5972 176.5740 52 K 4.1914 8.2334 118.9039 53.6460 34.7644 175.8929 53 P 3.5207 0.0000 0.0000 66.0195 30.9445 179.0173 54 Q 2.5432 7.2956 114.5805 57.6533 28.6476 177.4587 55 E 4.5149 8.0930 119.2438 56.1261 29.8084 177.4506 56 A 4.3024 8.1320 124.9011 56.0014 18.4063 180.6712 57 Q 4.0545 8.3475 115.5323 59.2340 28.8133 178.2195 58 H 4.5088 8.4563 120.4358 58.0655 29.7046 176.9221 59 L 4.4057 8.4477 121.3236 58.1985 41.3123 179.2450 60 L 4.1656 8.1931 118.9720 57.9814 41.0600 179.1569 61 D 3.7665 8.2267 118.4374 56.5298 40.3092 177.4181 62 Y 4.6097 7.8778 115.6359 56.4817 39.2577 175.7010 63 R 3.9622 9.0945 119.1597 57.9074 28.1793 175.3526 64 C 5.3686 8.0692 112.3704 58.1217 32.6047 174.9323 65 G 4.4042 9.1742 107.8521 44.6718 0.0000 171.4465 66 V 5.2037 8.8554 119.4527 61.7316 35.4370 174.4458 67 T 5.0483 9.1317 120.3058 62.0495 71.1605 171.4836 68 K 5.0457 8.2606 120.0541 55.4541 35.6830 176.2379 69 L 4.2729 8.9399 122.5803 57.1431 43.1372 176.8526 70 V 4.3077 7.7274 112.6629 60.4335 40.0689 176.1511 *77 A 4.1891 8.6129 128.8253 51.3189 19.2132 178.0726 78 N 5.3838 7.4736 131.5835 55.1071 36.5533 173.6698 79 E 4.7027 7.4809 116.1515 55.5340 33.8580 173.7534 80 V 4.4627 7.9167 113.8459 60.8543 33.7993 175.2160 81 S 4.6389 8.1635 115.4847 56.9680 66.5574 175.8138 82 K 4.1051 8.7393 128.5606 60.1536 31.8413 180.2650 83 Q 3.9947 8.0294 120.4523 60.4331 28.0883 180.3253 84 E 4.1906 8.2026 120.4209 59.2689 29.3993 179.4963 85 L 3.9902 7.8463 118.4344 58.0218 41.7444 179.1997 86 H 4.1441 8.3513 116.0289 58.5321 28.7190 177.6552 87 A 4.0353 8.4762 123.2311 55.1814 18.2394 179.8783 88 G 3.8862 7.6783 105.6894 47.2466 0.0000 175.7820 89 G 3.5141 7.9345 109.7397 46.8660 0.0000 175.5001 90 R 3.8799 7.7596 120.4509 59.0768 30.1933 179.1306 91 K 3.8945 7.9225 117.4367 59.4588 32.0846 179.0234 92 L 3.9250 8.2853 120.7928 58.4252 42.0005 178.9031 93 I 3.8042 8.3968 119.9737 64.5810 36.9706 178.1467 94 E 4.1297 8.1166 118.9733 59.5187 29.3801 179.4894 95 K 3.9828 7.9799 118.1645 59.8108 32.1970 179.5432 96 I 3.9328 8.0637 119.7835 64.2385 36.7406 178.3344 97 E 4.0889 8.3041 119.3715 59.6743 29.3267 177.7621 98 D 4.2318 8.1194 118.4954 56.9592 41.2539 177.0523 99 Y 4.2757 8.6239 120.3982 59.2100 39.5422 177.7077 100 Q 3.7536 7.6965 111.3646 57.3546 26.4947 172.8297 101 P 4.7312 0.0000 0.0000 62.5806 33.3454 177.1775 102 Q 4.3077 8.6996 116.7734 58.8839 29.5250 176.9448 103 A 5.1344 8.1624 118.2347 50.3870 23.4322 174.8248 104 L 5.0464 8.9991 121.8186 53.0643 45.2790 175.0147 105 A 5.2132 8.7019 127.5018 50.2578 21.8078 174.7385 106 I 4.5190 9.2497 125.0596 59.5943 38.8074 176.7973 107 L 5.2715 7.9948 131.0915 50.9552 39.4482 177.0320 108 G 4.8213 7.6610 117.9319 44.7087 0.0000 171.2815 109 K 3.6489 8.1402 126.7052 59.5725 32.2681 178.9901 110 Q 4.6539 8.2635 118.8555 58.3975 28.7282 178.8165 111 A 4.0246 8.0222 121.4826 55.1397 18.4931 178.9660 112 Y 4.2589 7.9635 117.6772 60.8809 39.0829 177.4084 113 E 3.7829 8.6361 120.0422 60.5603 29.4323 178.7325 114 Q 4.2120 8.7492 118.9133 56.8090 28.4677 178.5147 115 G 3.4223 8.0977 110.6336 48.3420 0.0000 174.5861 116 F 4.5730 7.9705 116.0625 56.1732 39.4683 175.4709 117 S 3.6530 8.4701 116.2083 59.9066 60.7557 171.7498 118 Q 4.5726 7.8724 119.5830 55.1576 31.2689 176.1156 119 R 4.5486 8.0777 115.5324 56.2310 33.0120 173.6212 120 G 3.9215 8.8451 106.3700 46.3742 0.0000 173.9101 121 A 4.1086 7.8103 121.5849 51.8879 18.8983 178.0837 122 Q 4.4859 8.0163 119.6900 53.2466 31.4541 175.8602 123 W 4.4449 8.0901 119.8054 57.9784 30.3950 177.0320 124 G 3.9336 9.1007 105.3630 44.2572 0.0000 172.6981 125 K 2.8493 7.5496 122.3481 55.8234 32.6925 177.1773 126 Q 4.4338 7.7949 124.8562 54.4122 31.0018 175.6388 127 T 4.1218 8.0587 108.6066 63.2166 69.7812 175.5806 128 L 4.0935 7.6746 122.7622 55.4132 42.5634 175.3488 129 T 4.7488 7.9887 112.3754 60.5207 72.0637 173.7558 130 I 4.4342 7.9927 121.5123 59.8269 38.9420 176.7489 131 G 3.8827 8.2782 118.3904 46.7758 0.0000 174.1974 132 S 4.3842 8.8125 117.2117 59.8649 63.9556 175.1023 133 T 4.2765 7.6513 119.0400 64.2292 69.1755 174.0164 134 Q 4.7262 8.9031 124.8712 55.4280 31.0987 174.6644 135 I 4.9215 8.1655 121.0432 59.4438 40.2819 174.6829 136 W 5.0672 9.5729 126.5113 54.7495 33.1226 174.5075 137 V 4.5978 8.7594 124.4530 61.3945 32.7933 174.3651 138 L 5.3262 8.9846 128.4115 51.8728 45.3817 174.3429 139 P 4.6574 0.0000 0.0000 62.3998 31.8673 175.8529 140 N 4.5596 9.0281 122.5083 53.3305 39.6848 172.8426 141 P 4.4141 0.0000 0.0000 63.4419 32.5731 175.8384 142 S 4.4267 8.1285 114.5391 58.3187 62.8055 175.0873 143 G 3.8544 8.4866 112.2181 46.8734 0.0000 174.3188 144 L 4.2554 8.0927 119.0989 54.8635 42.2848 176.5465 145 S 4.4424 7.7475 115.2083 57.1698 61.9086 174.6552 146 R 4.0508 8.5958 125.4260 57.2550 29.7736 177.3514 147 V 3.7238 7.4917 119.3788 62.5601 32.2811 176.5193 148 S 4.4117 8.3362 121.3810 57.6381 65.2819 174.8172 149 L 3.8247 8.4793 124.8933 58.5513 41.5849 179.1046 150 E 3.8200 8.0223 118.3377 59.2927 29.7226 178.5280 151 K 3.8229 7.8755 119.3574 59.1958 32.0413 178.4885 152 L 3.8558 7.7798 120.6657 58.1579 42.0285 179.0623 153 V 3.4143 7.7918 118.3056 66.0096 31.4491 177.5753 154 E 3.9260 8.4797 119.0264 59.0266 29.3172 178.7609 155 A 4.0335 8.0233 120.9029 55.5407 18.5640 179.3182 156 Y 4.1152 8.7093 115.5929 60.9927 37.8476 178.3741 157 R 3.7617 8.4846 120.2147 59.5590 30.0266 178.1148 158 E 3.9452 7.9728 117.6601 59.4317 29.4665 179.0377 159 L 2.5160 7.2245 118.5181 57.8656 41.8178 178.2669 160 D 4.0702 7.6859 116.2481 57.4678 40.9838 178.1914 161 Q 4.0155 8.0051 117.1139 59.0479 28.8772 178.3001 162 A 4.1945 7.9797 120.4588 54.2880 19.6862 178.8529 163 L 4.4492 7.2166 118.9304 53.0465 38.5495 176.9779 164 V 3.9887 7.2096 121.3740 63.1186 31.6926 174.1664 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 7.95 4.38 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 1.18 0.00 0.00 0.94 0.00 0.00 3 E 8.45 4.23 0.00 2.02 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 2.23 2.31 0.00 4 D 9.19 4.56 0.00 2.64 2.59 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 5 I 8.73 4.76 1.97 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 1.50 0.92 1.01 0.00 0.00 6 L 7.80 4.99 0.00 1.02 0.56 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.21 3.92 1.15 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 0.00 0.00 8 P 0.00 4.69 0.00 2.27 2.08 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 9 G 8.84 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 0.00 0.00 0.00 10 L 7.23 4.17 0.00 1.54 1.59 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.03 4.19 0.00 1.81 2.00 0.00 3.17 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 12 V 7.47 4.65 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 -0.48 0.00 0.00 0.74 0.00 0.00 13 V 8.11 4.54 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 0.94 0.00 0.00 0.90 0.00 0.00 14 F 9.49 4.67 0.00 3.13 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 9.51 4.96 0.00 3.03 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 16 G 9.49 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.55 4.35 1.93 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 1.32 1.29 0.95 0.00 0.00 18 N 7.72 4.67 0.00 2.68 2.65 0.00 0.00 6.94 7.71 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 19 P 0.00 4.58 0.00 2.01 1.94 0.00 3.68 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 1.92 1.91 0.00 20 G 9.43 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 21 L 7.71 4.20 0.00 1.80 1.84 0.91 0.59 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 22 S 8.53 3.86 0.00 4.05 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 23 S 9.13 4.26 0.00 3.86 3.81 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 24 A 7.35 5.61 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 25 G 9.68 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 0.00 0.00 0.00 26 T 7.83 4.61 4.56 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 1.32 0.00 0.00 27 G 8.29 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 28 F 7.84 4.68 0.00 3.32 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 29 P 0.00 4.69 0.00 2.33 1.84 0.00 4.34 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 30 F 7.81 3.80 0.00 3.16 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 31 A 8.47 4.40 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 32 H 8.29 4.42 0.00 3.37 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.25 0.00 2.20 2.17 0.00 3.47 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 1.80 1.89 0.00 34 A 8.25 4.51 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 35 N 8.19 4.93 0.00 2.87 3.03 0.00 0.00 7.07 6.93 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 36 R 8.59 4.41 0.00 1.89 1.82 0.00 3.13 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 37 F 8.75 3.63 0.00 2.12 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 0.00 0.00 0.00 38 W 7.44 4.02 0.00 3.43 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 39 K 8.03 3.99 0.00 1.85 1.91 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 40 V 8.07 3.29 1.63 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 -0.27 0.00 0.00 0.65 0.00 0.00 41 I 7.47 3.84 1.60 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.39 -0.34 0.00 0.00 42 Y 7.77 4.28 0.00 3.10 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 43 Q 8.20 3.17 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.08 2.54 0.00 44 A 8.11 4.17 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 45 G 8.32 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 0.00 0.00 0.00 46 F 8.01 4.42 0.00 3.01 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 47 T 7.47 4.26 3.20 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 0.84 0.00 0.00 48 D 8.60 4.92 0.00 2.93 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 49 R 7.26 3.87 0.00 1.65 1.80 0.00 2.94 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 50 Q 7.52 3.99 0.00 1.62 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 51 L 8.22 4.25 0.00 1.59 1.27 1.16 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.23 4.19 0.00 1.44 1.58 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.15 7.81 53 P 0.00 3.52 0.00 1.85 2.20 0.00 3.25 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 54 Q 7.30 2.54 0.00 1.66 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.43 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 55 E 8.09 4.51 0.00 1.82 1.86 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 2.11 2.20 0.00 56 A 8.13 4.30 1.80 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 57 Q 8.35 4.05 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 58 H 8.46 4.51 0.00 3.37 3.57 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.45 4.41 0.00 2.14 2.15 1.48 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.19 4.17 0.00 1.85 1.74 0.94 1.01 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 61 D 8.23 3.77 0.00 2.35 2.33 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 62 Y 7.88 4.61 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 9.09 3.96 0.00 2.01 2.03 0.00 3.29 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 64 C 8.07 5.37 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 79 E 7.48 4.70 0.00 1.92 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 2.22 2.33 0.00 80 V 7.92 4.46 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 0.72 0.00 0.00 0.94 0.00 0.00 81 S 8.16 4.64 0.00 3.84 3.76 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 82 K 8.74 4.11 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.51 7.81 83 Q 8.03 3.99 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 84 E 8.20 4.19 0.00 2.17 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 0.00 2.40 2.41 0.00 85 L 7.85 3.99 0.00 1.68 1.65 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.35 4.14 0.00 3.12 3.29 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.48 4.04 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 88 G 7.68 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.93 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.76 3.88 0.00 2.02 1.95 0.00 3.23 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 91 K 7.92 3.89 0.00 1.82 1.87 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.65 7.81 92 L 8.29 3.92 0.00 1.77 1.78 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.40 3.80 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.65 1.01 0.00 0.00 94 E 8.12 4.13 0.00 2.22 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 2.58 0.00 95 K 7.98 3.98 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 0.00 137 V 8.76 4.60 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 0.91 0.00 0.00 0.04 0.00 0.00 138 L 8.98 5.33 0.00 1.38 1.08 0.30 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.66 0.00 1.86 1.14 0.00 3.70 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.50 0.00 140 N 9.03 4.56 0.00 3.07 2.88 0.00 0.00 7.14 7.69 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 0.00 141 P 0.00 4.41 0.00 2.49 2.10 0.00 3.59 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 1.86 2.08 0.00 142 S 8.13 4.43 0.00 3.94 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 0.00 143 G 8.49 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 0.00 0.00 0.00 144 L 8.09 4.26 0.00 1.63 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.75 4.44 0.00 3.91 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 0.00 146 R 8.60 4.05 0.00 1.87 1.98 0.00 3.28 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 147 V 7.49 3.72 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 0.65 0.00 0.00 0.90 0.00 0.00 148 S 8.34 4.41 0.00 4.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.48 3.82 0.00 1.72 1.68 0.82 0.75 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 0.00 150 E 8.02 3.82 0.00 2.03 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 2.34 2.33 0.00 151 K 7.88 3.82 0.00 1.84 1.84 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.26 1.32 7.81 152 L 7.78 3.86 0.00 1.98 1.50 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.79 3.41 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 0.90 0.00 0.00 0.83 0.00 0.00 154 E 8.48 3.93 0.00 2.16 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 2.31 2.32 0.00 155 A 8.02 4.03 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 156 Y 8.71 4.12 0.00 3.02 3.36 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 0.00 157 R 8.48 3.76 0.00 2.03 1.91 0.00 3.02 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 158 E 7.97 3.95 0.00 2.34 2.18 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 2.38 2.72 0.00 159 L 7.22 2.52 0.00 1.03 1.71 -0.36 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 160 D 7.69 4.07 0.00 1.58 2.37 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 0.00 161 Q 8.01 4.02 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 162 A 7.98 4.19 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 0.00 163 L 7.22 4.45 0.00 1.58 1.64 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.21 3.99 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 0.74 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.