NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4577 8.2893 120.3501 55.3468 33.3445 174.6169 1 V 4.3160 8.1569 124.8015 59.4465 34.2896 173.1070 2 L 4.5849 8.1292 123.9780 52.7981 44.4831 178.3209 3 S 4.4407 8.8334 117.7059 57.8855 65.1439 175.1191 4 E 4.2463 8.8948 123.2308 59.5444 29.4330 179.0943 5 G 3.7677 8.2209 105.2053 48.1623 0.0000 175.2578 6 E 3.9605 8.2446 121.0166 58.8228 29.3330 179.4941 7 W 4.3875 8.3480 119.1546 59.9305 29.0199 178.5269 8 Q 4.1288 8.5425 118.1443 58.9401 28.1356 178.9059 9 L 4.0594 7.9823 119.8844 57.7570 41.6412 179.7391 10 V 3.7673 7.9456 118.1390 66.2377 31.5778 178.1799 11 L 4.1806 8.5397 119.1281 57.8311 41.0555 179.0197 12 H 4.2134 8.6643 118.7924 59.3409 29.8919 177.8154 13 V 3.4396 7.9889 121.0139 64.4777 31.2393 178.0533 14 W 3.9102 8.6546 128.9538 60.1329 30.2570 177.6063 15 A 4.0099 8.0252 120.0120 55.2352 18.0220 179.5067 16 K 3.9225 7.3591 116.5941 59.3205 32.0910 179.5426 17 V 2.6924 7.1406 118.5254 65.8834 30.9954 177.7357 18 E 3.9486 7.6022 115.7070 58.1169 29.3745 178.2955 19 A 4.2554 7.4809 119.9697 53.2075 20.1298 177.5901 20 D 4.6693 7.7545 116.1897 52.2619 43.0583 175.5890 21 V 3.5409 7.8670 123.7968 65.7825 32.1786 176.7552 22 A 4.0811 7.9956 120.1294 55.0569 18.2737 179.6577 23 G 3.6387 8.2887 105.4943 47.6832 0.0000 175.6048 24 H 4.0867 8.2463 119.0989 58.4198 28.6686 177.9063 25 G 3.7176 8.3616 107.8513 48.0333 0.0000 175.5471 26 Q 3.9547 8.1196 120.4065 58.7863 28.7013 178.6277 27 D 4.3215 7.9603 119.7347 57.4207 40.7820 179.0657 28 I 3.6411 8.0102 120.4096 64.4718 37.2054 178.5509 29 L 3.6220 7.9649 119.8361 57.5990 41.3287 179.6547 30 I 3.7028 8.0114 120.1202 64.3647 37.0383 178.2602 31 R 3.8042 8.0880 119.6533 59.3298 29.7801 177.9985 32 L 3.7995 7.9791 120.2476 58.4844 41.8976 179.1793 33 F 4.5304 8.2703 117.6093 60.3399 38.5461 177.9168 34 K 4.0452 8.3211 118.1810 59.3108 31.9311 179.2503 35 S 4.2172 8.0546 114.9863 60.4149 64.3829 174.4832 36 H 5.3200 8.5320 117.5361 51.4969 29.1620 172.2913 37 P 4.6813 0.0000 0.0000 64.7989 31.7639 178.3198 38 E 4.1165 8.2912 117.4453 59.2475 29.3929 178.7539 39 T 4.2129 8.2336 110.8636 63.9981 69.0627 176.6315 40 L 3.9410 7.9630 122.3522 57.8475 41.5225 179.2332 41 E 4.0572 8.3040 114.3442 58.9638 29.3934 178.0384 42 K 3.9644 7.8819 117.5940 57.3572 32.6306 176.5603 43 F 4.8394 8.0082 118.7577 55.3690 40.1880 175.8905 44 D 4.4300 8.9085 126.6756 57.5024 40.7418 178.3993 45 R 4.0719 7.6950 115.7904 57.5911 30.4364 176.8080 46 F 5.1046 7.8447 115.3453 57.0465 40.9014 177.2361 47 K 4.0788 8.2099 119.1513 59.1689 32.4539 177.5204 48 H 4.3806 8.2595 114.0381 56.8744 28.9688 174.9775 49 L 4.3028 7.7262 121.9251 53.8644 41.8436 176.1678 50 K 4.3748 9.4569 124.2287 56.9801 33.9122 177.2704 51 T 4.7131 7.4800 107.4395 58.9543 72.9890 174.1683 52 E 3.8687 8.7334 121.8865 59.5611 29.4138 178.9129 53 A 3.9769 7.9745 120.0153 55.4042 18.2726 179.3200 54 E 3.9348 7.7506 115.2435 59.6924 29.9172 179.2138 55 M 4.1726 8.3734 119.0914 58.5025 31.8709 179.0458 56 K 3.9963 8.3359 117.2392 58.8358 32.2689 178.3485 57 A 4.4607 7.5269 118.5902 51.3768 19.5229 177.0828 58 S 4.2746 7.5206 113.7871 57.6494 63.0734 174.6059 59 E 4.0446 8.9297 128.5641 59.2198 29.4699 178.2332 60 D 4.4838 8.2126 118.6932 57.3543 40.9044 178.4569 61 L 3.9160 8.1894 120.6438 57.9451 42.2687 178.6514 62 K 3.8731 7.9765 119.5393 59.7305 32.1137 178.8540 63 K 4.0579 8.4429 118.9137 59.7677 31.8978 178.9473 64 H 4.4531 8.7739 118.8253 59.0079 29.7982 177.3977 65 G 3.6713 8.5285 108.1992 47.8286 0.0000 175.8372 66 V 3.6062 7.7440 119.9785 65.9486 31.5931 178.0827 67 T 3.8530 7.8492 115.5378 66.7298 68.3197 176.3633 68 V 3.5993 7.9232 120.1789 66.3809 31.5372 178.1644 69 L 4.2920 8.0213 118.3998 57.8952 41.5087 179.6514 70 T 3.9446 8.2791 115.8575 66.5613 68.4574 176.5506 71 A 3.9742 8.0882 122.6348 55.1292 18.3869 179.5175 72 L 3.6755 8.1895 119.1542 57.8142 42.1210 179.1940 73 G 3.2155 8.5767 105.9560 47.7517 0.0000 175.3763 74 A 3.9759 7.5645 122.0211 54.6885 18.6268 179.5623 75 I 3.7331 7.4101 117.6364 64.6147 37.2191 178.6260 76 L 3.9475 7.8169 120.0877 57.7743 41.1552 179.7910 77 K 3.9130 7.6451 117.1060 58.7278 32.2496 178.8335 78 K 3.9182 7.9412 118.0714 56.1682 32.4814 176.6448 79 K 2.0000 8.2262 118.3082 56.2944 29.7342 175.7596 80 G 3.8657 7.6757 106.0808 45.6657 0.0000 173.8589 81 H 4.6634 7.0808 119.1507 55.2402 27.4577 174.8243 82 H 5.3090 7.2302 110.6014 54.3377 29.6731 176.6657 83 E 3.9792 8.3788 122.9557 60.1357 29.2426 178.2083 84 A 3.9843 7.9504 119.2710 54.9499 18.8440 178.8754 85 E 4.1387 8.0666 116.7625 59.1194 29.8013 178.7710 86 L 4.1230 8.4305 120.8782 57.7086 42.1562 178.3826 87 K 3.8365 8.3235 120.2051 59.3767 32.0397 176.8719 88 P 4.5801 0.0000 0.0000 65.2103 31.0494 177.9265 89 L 3.9022 7.4222 117.7907 57.9320 41.7706 178.4950 90 A 4.3122 8.4519 121.0507 55.5063 18.1519 178.9423 91 Q 3.9638 8.2639 116.4235 59.7370 28.6224 179.6018 92 S 4.0787 8.2244 115.0475 60.9972 63.2236 174.7612 93 H 4.5714 7.1207 116.9523 54.5711 29.5709 174.6339 *98 K 3.8645 8.1417 121.1849 56.3755 32.9467 175.1825 99 I 4.4351 7.8945 120.0742 58.8089 39.1896 174.3677 100 P 4.5763 0.0000 0.0000 61.5029 32.3981 177.1642 101 I 3.7092 8.9792 122.2107 64.8277 36.9378 178.8449 102 K 3.9088 7.8946 118.7347 60.1523 32.2119 178.6559 103 Y 3.9594 7.8122 117.7418 60.8380 37.7379 178.3355 104 L 4.1747 7.9456 119.5485 57.7326 41.7471 179.1877 105 E 4.0223 8.2790 118.6201 59.4631 29.4116 179.3193 106 F 4.5384 8.0421 117.8640 60.8740 38.9105 177.6587 107 I 3.7994 8.2130 118.2504 63.9353 37.7738 177.8950 108 S 4.2334 8.4115 116.3258 61.8627 62.7372 176.6501 109 E 4.0576 8.4041 120.8099 59.4151 29.1856 179.3277 110 A 4.0477 8.1422 120.8661 55.0272 18.3243 179.7153 111 I 3.6548 8.1639 118.6730 64.6476 37.2805 178.5300 112 I 3.9305 7.9210 120.5125 64.7785 36.9179 177.8662 113 H 4.1311 8.3859 118.7630 59.3678 29.7196 177.3750 114 V 3.5283 7.9668 119.9574 66.0687 31.2827 177.9594 115 L 3.7880 7.9897 118.8893 57.9148 41.0547 179.0303 116 H 4.4335 8.1208 117.3248 59.2607 29.8937 177.0045 117 S 4.1019 8.0268 114.3168 61.3951 62.3442 175.9235 118 R 4.0661 8.0491 119.5023 57.6483 31.2428 176.4908 119 H 5.0296 8.3054 115.5242 53.8772 29.8878 172.8076 120 P 4.3610 0.0000 0.0000 65.8245 31.8924 179.3777 121 G 3.6478 8.2637 106.8685 48.1709 0.0000 173.6184 122 D 4.8343 7.9338 116.6260 53.9913 41.5828 176.6835 123 F 4.9181 7.8864 120.0310 56.1126 39.6306 174.2303 124 G 3.9588 7.5075 110.0763 44.1182 0.0000 171.3170 125 A 3.8779 8.4758 120.5487 55.3660 18.3067 179.9423 126 D 4.1572 7.8684 116.5367 57.4577 41.1010 178.7074 127 A 3.9018 7.6940 120.7662 55.0511 18.4089 179.4831 128 Q 3.3225 7.6718 116.9036 58.7712 28.7233 179.2934 129 G 3.5244 8.0358 106.4853 47.6243 0.0000 175.5651 130 A 3.7965 7.9780 123.3779 55.0377 18.3725 179.3690 131 M 3.9792 8.4963 117.0735 58.7119 32.2519 177.6498 132 N 4.2806 8.5598 117.6200 56.8381 39.0417 176.8733 133 K 3.8633 8.1009 119.3474 59.3963 32.1607 179.1582 134 A 3.8854 7.9703 121.1030 55.2567 18.2218 179.7479 135 L 4.1620 8.2678 117.6707 57.6911 41.6331 179.3043 136 E 3.9377 8.5575 119.7897 59.0425 29.5738 178.5803 137 L 3.9485 8.3881 120.8510 58.0773 42.1410 178.4570 138 F 4.1670 8.3678 120.5210 61.6335 39.2255 177.2638 139 R 3.3495 8.1267 117.4773 58.8996 29.7955 178.9728 140 K 3.8152 8.1187 119.4423 59.6690 32.1960 178.6509 141 D 4.2708 8.1068 119.1613 57.3001 40.6950 178.6205 142 I 3.3702 7.7479 119.3850 63.6061 37.7419 177.6770 143 A 3.7144 7.9102 121.9016 54.9474 18.1633 179.3488 144 A 3.8973 8.0031 119.1990 55.4290 18.2598 180.0227 145 K 3.9668 7.6755 115.5319 59.6814 32.3614 179.0059 146 Y 4.6123 8.2181 117.3803 61.3748 37.8914 178.8550 147 K 4.0393 8.4884 119.5784 59.2723 31.8521 178.8087 148 E 3.9848 8.0725 119.1135 58.7875 29.5154 178.0487 149 L 4.6219 7.8979 115.4911 54.0815 42.2559 177.5573 150 G 3.8864 8.0149 108.0931 45.2662 0.0000 173.3670 151 Y 4.2957 7.7220 121.3062 57.7496 38.5154 175.8351 152 Q 4.1014 8.7768 125.3688 55.6001 29.0919 176.7073 153 G 3.3067 5.6620 113.9772 45.6180 0.0000 173.5508 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 0 M 8.29 4.46 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 1 V 8.16 4.32 2.10 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 0.79 0.00 0.00 0.98 0.00 0.00 2 L 8.13 4.58 0.00 0.45 0.75 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.83 4.44 0.00 4.03 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 4 E 8.89 4.25 0.00 2.20 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 2.43 2.52 0.00 5 G 8.22 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 6 E 8.24 3.96 0.00 1.97 1.76 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 2.23 2.27 0.00 7 W 8.35 4.39 0.00 3.52 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 8 Q 8.54 4.13 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 9 L 7.98 4.06 0.00 1.94 1.77 0.89 0.79 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 10 V 7.95 3.77 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 1.20 0.00 0.00 0.95 0.00 0.00 11 L 8.54 4.18 0.00 1.83 1.80 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.66 4.21 0.00 3.43 3.54 0.00 5.78 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 13 V 7.99 3.44 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.76 0.00 0.00 14 W 8.65 3.91 0.00 3.62 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.03 4.01 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 16 K 7.36 3.92 0.00 1.49 1.56 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.78 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.30 1.42 7.81 17 V 7.14 2.69 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 0.00 0.00 0.02 0.00 0.00 0.10 0.00 0.00 18 E 7.60 3.95 0.00 2.06 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 2.31 2.30 0.00 19 A 7.48 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.75 4.67 0.00 2.71 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 21 V 7.87 3.54 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.89 0.00 0.00 22 A 8.00 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.29 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 24 H 8.25 4.09 0.00 3.17 3.19 0.00 5.64 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 25 G 8.36 3.72 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 0.00 26 Q 8.12 3.95 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 27 D 7.96 4.32 0.00 2.83 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 28 I 8.01 3.64 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.88 0.00 0.00 29 L 7.96 3.62 0.00 1.57 1.51 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.01 3.70 1.93 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 1.41 0.76 0.90 0.00 0.00 31 R 8.09 3.80 0.00 1.90 2.12 0.00 3.05 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 32 L 7.98 3.80 0.00 1.60 1.42 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.27 4.53 0.00 3.08 2.94 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 0.00 0.00 0.00 34 K 8.32 4.05 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 35 S 8.05 4.22 0.00 3.79 3.63 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 36 H 8.53 5.32 0.00 3.00 3.05 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.68 0.00 2.27 2.33 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.87 0.00 38 E 8.29 4.12 0.00 2.25 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 0.00 2.48 2.44 0.00 39 T 8.23 4.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 40 L 7.96 3.94 0.00 1.94 1.75 -0.26 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.30 4.06 0.00 2.08 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 2.42 2.38 0.00 42 K 7.88 3.96 0.00 1.30 1.58 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.72 7.81 43 F 8.01 4.84 0.00 3.21 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 44 D 8.91 4.43 0.00 2.64 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 45 R 7.70 4.07 0.00 1.05 1.61 0.00 3.40 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 46 F 7.84 5.10 0.00 2.98 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 47 K 8.21 4.08 0.00 1.89 2.24 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.46 7.81 48 H 8.26 4.38 0.00 3.28 3.47 0.00 5.71 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 49 L 7.73 4.30 0.00 1.53 1.53 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.46 4.37 0.00 1.73 1.82 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.33 7.81 51 T 7.48 4.71 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 1.20 0.00 0.00 52 E 8.73 3.87 0.00 2.04 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 2.37 2.39 0.00 53 A 7.97 3.98 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 54 E 7.75 3.93 0.00 2.08 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 2.35 2.35 0.00 55 M 8.37 4.17 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 56 K 8.34 4.00 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.52 7.81 57 A 7.53 4.46 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.52 4.27 0.00 4.04 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 59 E 8.93 4.04 0.00 2.15 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 2.41 2.50 0.00 60 D 8.21 4.48 0.00 2.96 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 61 L 8.19 3.92 0.00 1.65 1.65 0.89 0.34 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 62 K 7.98 3.87 0.00 1.98 1.96 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 63 K 8.44 4.06 0.00 1.98 1.91 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.72 7.81 64 H 8.77 4.45 0.00 3.64 3.61 0.00 5.79 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 65 G 8.53 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 0.00 0.00 0.00 66 V 7.74 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.94 0.00 0.00 67 T 7.85 3.85 4.37 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 1.26 0.00 0.00 68 V 7.92 3.60 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 1.06 0.00 0.00 0.87 0.00 0.00 69 L 8.02 4.29 0.00 1.79 1.80 0.86 0.95 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 70 T 8.28 3.94 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 71 A 8.09 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.19 3.68 0.00 1.67 1.63 0.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.58 3.22 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 0.00 74 A 7.56 3.98 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 75 I 7.41 3.73 1.76 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 0.87 0.00 0.00 76 L 7.82 3.95 0.00 1.24 1.52 -0.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 3.91 0.00 1.77 1.79 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.46 7.81 78 K 7.94 3.92 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.16 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.59 1.77 7.81 79 K 8.23 2.00 0.00 1.05 0.74 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.57 1.02 7.81 80 G 7.68 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 81 H 7.08 4.66 0.00 3.14 3.19 0.00 5.62 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 82 H 7.23 5.31 0.00 3.26 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.38 3.98 0.00 2.05 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 2.40 2.34 0.00 84 A 7.95 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.07 4.14 0.00 2.23 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 2.36 2.41 0.00 86 L 8.43 4.12 0.00 2.00 1.66 1.08 0.37 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 87 K 8.32 3.84 0.00 1.86 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 88 P 0.00 4.58 0.00 2.32 2.31 0.00 3.98 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.94 0.00 89 L 7.42 3.90 0.00 1.83 1.96 1.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.31 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 91 Q 8.26 3.96 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 92 S 8.22 4.08 0.00 4.05 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 93 H 7.12 4.57 0.00 3.45 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 K 8.14 3.86 0.00 1.32 0.85 0.00 1.05 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.70 7.81 99 I 7.89 4.44 1.92 0.00 0.00 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 1.48 0.82 1.12 0.00 0.00 100 P 0.00 4.58 0.00 2.05 1.98 0.00 2.61 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.63 0.00 101 I 8.98 3.71 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.84 0.00 0.00 102 K 7.89 3.91 0.00 1.58 1.92 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.38 1.47 7.81 103 Y 7.81 3.96 0.00 3.26 3.19 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 0.00 0.00 0.00 0.00 104 L 7.95 4.17 0.00 1.88 1.85 0.73 1.22 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 0.00 105 E 8.28 4.02 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 106 F 8.04 4.54 0.00 3.14 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 0.00 107 I 8.21 3.80 1.95 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 1.55 1.59 1.09 0.00 0.00 108 S 8.41 4.23 0.00 4.20 4.02 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 0.00 0.00 0.00 0.00 109 E 8.40 4.06 0.00 2.31 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 2.42 2.49 0.00 110 A 8.14 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.16 3.65 2.12 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 1.61 0.85 1.07 0.00 0.00 112 I 7.92 3.93 2.13 0.00 0.00 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 1.81 1.31 1.12 0.00 0.00 113 H 8.39 4.13 0.00 3.31 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.97 3.53 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.00 0.00 0.00 115 L 7.99 3.79 0.00 1.21 0.13 0.74 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.12 4.43 0.00 3.53 3.59 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.03 4.10 0.00 3.83 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.05 4.07 0.00 1.46 1.56 0.00 3.18 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 119 H 8.31 5.03 0.00 3.18 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.20 2.29 0.00 3.74 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 2.06 1.92 0.00 121 G 8.26 3.65 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 0.00 0.00 0.00 122 D 7.93 4.83 0.00 2.74 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 0.00 123 F 7.89 4.92 0.00 3.04 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 0.00 124 G 7.51 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 0.00 0.00 0.00 125 A 8.48 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.87 4.16 0.00 2.72 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 0.00 127 A 7.69 3.90 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 0.00 128 Q 7.67 3.32 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.85 1.55 0.00 129 G 8.04 3.52 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 0.00 130 A 7.98 3.80 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 0.00 131 M 8.50 3.98 0.00 2.37 2.49 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 132 N 8.56 4.28 0.00 2.91 2.96 0.00 0.00 7.25 7.07 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 0.00 133 K 8.10 3.86 0.00 1.81 1.67 0.00 1.68 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.55 7.81 134 A 7.97 3.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.27 4.16 0.00 1.78 1.86 1.03 0.96 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 0.00 136 E 8.56 3.94 0.00 2.16 2.10 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 2.31 2.32 0.00 137 L 8.39 3.95 0.00 1.93 1.99 1.04 1.02 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 0.00 138 F 8.37 4.17 0.00 3.15 3.35 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 0.00 139 R 8.13 3.35 0.00 1.96 1.83 0.00 3.18 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.99 0.00 140 K 8.12 3.82 0.00 1.77 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 141 D 8.11 4.27 0.00 2.77 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 0.00 142 I 7.75 3.37 1.27 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.27 0.16 0.00 0.00 143 A 7.91 3.71 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 0.00 144 A 8.00 3.90 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 0.00 145 K 7.68 3.97 0.00 1.86 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.60 7.81 146 Y 8.22 4.61 0.00 3.06 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 0.00 147 K 8.49 4.04 0.00 1.88 1.87 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.44 7.81 148 E 8.07 3.98 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 149 L 7.90 4.62 0.00 1.72 1.70 0.96 0.82 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 0.00 150 G 8.01 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 0.00 151 Y 7.72 4.30 0.00 2.82 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 0.00 152 Q 8.78 4.10 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 153 G 5.66 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 * Residues marked with a * may have inaccurate shift predictions.