NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6651 8.4093 118.1233 53.4726 39.7696 173.7375 4 T 4.2405 7.6654 112.3451 59.4356 72.2921 173.5199 5 P 4.2567 0.0000 0.0000 65.0489 31.6431 179.9261 6 E 3.8948 8.0662 117.1562 59.5089 29.4323 179.4565 7 S 4.1500 8.0310 114.1324 61.4745 63.0230 176.8102 8 R 4.0161 7.7399 121.2379 58.7523 29.6635 178.8915 9 L 3.9350 8.0149 119.0709 57.6932 41.5473 179.6281 10 V 3.5277 7.7984 117.8110 66.1305 31.2961 177.9412 11 A 3.9592 8.2857 119.0190 54.7312 18.2537 178.5031 12 A 4.3451 7.8522 116.8023 51.6267 18.9829 177.5887 13 G 3.8322 8.0863 105.5215 46.3406 0.0000 173.5218 14 L 4.6268 8.1039 119.7040 52.4286 43.3521 175.7211 15 E 4.6009 8.4809 124.0606 54.0371 31.3192 175.2317 16 L 4.1661 8.3310 126.3388 53.8148 42.2919 175.3660 17 P 4.5767 0.0000 0.0000 61.8410 32.3308 175.7631 18 E 4.0555 8.3427 118.4733 56.0963 29.8866 177.3112 19 V 3.7054 8.1943 122.6899 62.3998 32.1838 175.8936 20 A 4.0120 8.3939 129.7277 51.6095 19.0433 176.7869 21 A 4.1325 8.0953 122.5183 51.2611 19.2784 177.8546 22 A 3.9875 8.1763 123.1387 52.6433 18.7047 178.0141 23 L 4.3943 8.7523 119.9865 55.1660 42.2727 177.4390 24 G 4.1085 6.8646 105.9462 45.8903 0.0000 172.8903 25 N 4.6810 8.7608 115.2461 52.2050 37.5028 173.3638 26 Y 4.9516 6.5934 115.1251 55.0771 41.2894 175.0753 27 E 4.3255 8.6188 119.9936 54.6664 30.7218 176.3148 28 P 4.5859 0.0000 0.0000 65.6034 31.7375 175.4599 29 Y 5.1426 7.0115 112.6470 55.7032 40.9813 173.5069 30 S 4.8665 8.5130 113.9860 56.6590 66.4365 172.8304 31 I 4.9486 8.2671 120.8215 59.4833 40.3944 175.4576 32 V 4.4054 8.6515 124.4117 60.5358 34.4769 176.3388 33 G 4.1056 8.5514 115.4649 46.9370 0.0000 173.8362 34 S 4.6060 8.8985 119.8656 57.6789 63.3949 172.4737 35 Q 5.1797 8.5270 122.1661 54.7450 30.5446 174.8895 36 L 5.5919 9.3232 126.6876 52.7144 45.2966 174.8718 *38 T 4.5440 8.1637 110.7969 61.7347 70.0017 173.9968 39 S 4.7000 8.6159 119.0931 57.5211 65.0681 174.0064 40 G 2.5891 8.3663 107.7627 46.3849 0.0000 173.3270 41 Q 4.8056 8.2545 123.1009 53.8945 31.8588 174.9638 42 F 4.9072 8.8499 121.4293 54.8376 42.6341 173.4877 43 P 4.9339 0.0000 0.0000 62.1763 29.7383 174.0145 44 Y 5.0860 7.9321 123.0028 57.4295 39.9608 175.2246 45 L 4.6630 8.6969 124.9931 54.5722 44.9820 176.3729 46 Q 3.4211 9.8665 125.7947 57.1450 26.2409 174.8331 47 G 3.7886 8.3315 102.8497 45.5792 0.0000 173.7279 48 K 4.5218 7.9210 120.1323 54.1197 33.8468 175.4526 49 L 4.1637 8.5229 125.6954 54.5443 41.6079 176.1456 50 L 3.9316 8.5635 129.6492 56.6119 42.5320 176.1460 51 Y 4.3805 7.6855 115.0169 54.9170 39.8772 174.5035 52 Q 5.6391 9.5134 123.4185 54.7517 31.7116 175.5516 53 G 4.0015 7.6566 113.3663 45.5227 0.0000 169.6027 54 Q 4.8209 8.5668 122.0460 53.6749 32.2035 175.4537 55 L 4.4571 9.1389 127.6747 56.5498 42.5526 177.7228 56 G 4.2020 9.7748 115.2475 45.1649 0.0000 173.5297 57 A 4.4395 7.9053 119.3994 53.5911 20.6228 177.0973 58 D 4.5357 8.2175 113.2961 54.7904 41.9881 176.8234 59 Y 4.9982 7.4311 115.7215 55.5067 41.6997 175.1709 60 T 4.2501 8.8539 114.7730 60.8844 71.3232 176.2104 61 V 3.6415 8.2821 120.2805 66.2541 31.5121 178.0218 62 S 4.1487 8.0807 113.4950 61.4090 62.7983 176.1934 63 E 4.1671 8.2259 122.5708 59.1527 29.1516 179.4109 64 G 3.4777 8.4691 106.1788 47.7814 0.0000 174.9198 65 Y 4.1456 8.3597 122.0686 60.5906 38.7735 178.2326 66 A 4.0632 8.2293 121.3164 55.0742 18.3598 179.5039 67 A 3.2582 7.5825 119.4770 55.3268 18.3252 179.7639 68 C 3.9458 8.1007 115.5369 62.5097 27.9965 176.3397 69 R 3.8277 7.8262 120.6059 59.2990 29.6827 178.3985 70 L 3.9359 8.0729 120.0123 58.1020 42.0414 178.6324 71 A 4.2713 8.1089 122.3261 55.0194 18.1182 179.8059 72 T 3.8179 7.9294 114.2578 66.4088 68.5172 176.8026 73 L 3.9864 8.2074 122.6590 58.1914 42.0813 178.7709 74 N 4.3610 8.3968 116.1753 56.3907 38.5461 177.1372 75 A 3.9933 8.2388 122.3783 55.3326 18.3327 179.7937 76 I 3.7591 8.3012 118.4874 64.3659 37.1782 178.4048 77 A 3.9937 8.1427 121.7482 55.2371 18.1684 179.4934 78 Q 3.9427 8.0557 118.0191 59.3166 29.0929 178.4742 79 L 3.8198 7.8693 120.0868 57.5874 41.5665 179.3948 80 K 3.9238 8.4123 120.0100 59.4264 31.8723 178.6623 81 Q 3.9332 7.9682 118.9423 59.0702 29.0487 177.8190 82 A 3.9805 7.8789 122.4623 53.6861 18.4297 178.3602 83 C 4.6153 8.1528 109.4938 57.4765 30.7333 174.5415 84 G 4.2759 8.6558 115.5767 45.3238 0.0000 173.5376 85 E 4.7706 7.5898 119.6448 53.5762 32.1352 177.2516 86 L 4.2030 9.3314 124.8618 57.3344 41.9280 179.5770 87 S 4.2934 8.0941 113.8545 61.2329 62.8278 175.6818 88 R 4.0608 7.8667 118.3290 58.0592 29.9867 176.7618 89 I 4.1396 7.5528 119.8090 60.7578 37.2829 175.9966 90 K 4.3799 9.0395 127.0105 59.3566 32.5849 177.7417 91 Q 4.7328 7.7937 114.7639 55.3878 31.6633 173.9629 92 I 4.5359 8.5600 124.3204 60.5979 36.4563 175.0824 93 Y 4.5007 8.3923 125.8512 58.3204 39.7264 175.4174 94 R 5.0450 7.2756 120.2868 54.8102 34.0652 172.9593 95 L 5.2410 8.8070 127.8713 53.3008 45.1333 174.6928 96 E 5.0112 9.6677 125.3890 54.5744 33.0892 175.0262 97 G 4.5788 8.7945 110.9628 44.3265 0.0000 171.3318 98 V 5.3501 9.0590 122.7820 60.9221 34.8156 174.3592 99 L 5.3363 8.8799 126.1287 52.9570 46.3189 174.8846 100 N 5.3374 8.8394 120.7985 51.8922 40.2386 173.9709 101 V 4.8484 8.1913 125.5609 61.1796 34.6757 174.5266 102 H 4.5055 9.4908 128.3604 55.7528 30.5096 176.0370 103 Q 3.9949 8.4926 122.2380 59.3601 28.2587 177.9352 104 S 4.3401 8.1159 110.1979 59.1123 63.3310 173.0847 105 C 4.8041 8.2046 122.1307 57.9108 33.2708 173.2031 106 I 4.6180 8.4972 119.5775 60.9849 37.7334 175.1668 107 E 4.5785 8.1074 118.9663 57.3419 29.6139 177.9386 108 H 4.2970 8.3346 118.8165 58.3349 28.5427 175.2396 109 P 4.1626 0.0000 0.0000 65.3882 30.8501 178.5850 110 K 4.2477 7.9392 116.5681 59.1511 32.1300 178.9439 111 A 4.2828 7.8986 120.7488 55.2149 18.4649 179.3297 112 L 3.8387 8.1850 118.5483 57.8675 42.0950 178.6313 113 D 4.5468 8.1211 118.5502 56.8910 40.5475 178.6971 114 G 2.2885 7.6531 106.6888 47.0206 0.0000 175.6691 115 A 4.0809 7.4955 124.2196 54.5748 18.6509 179.8082 116 S 4.1038 7.9318 113.0421 62.0375 62.9264 176.7104 117 D 4.4333 8.5621 121.8790 57.2288 40.4566 178.6186 118 L 3.9897 7.5978 119.5736 57.9547 41.9796 178.9277 119 L 4.1863 7.9605 119.0876 57.9429 41.5667 179.5755 120 L 4.0749 7.9701 118.5566 57.6824 41.3421 179.1159 121 E 3.9364 8.2447 118.4305 59.2639 29.6869 178.4104 122 I 3.9177 8.1626 119.5702 63.0184 37.4836 177.2840 123 F 4.5751 8.6734 116.7561 56.3704 39.8848 177.1018 124 G 3.8468 8.7222 108.6129 46.4128 0.0000 176.9901 125 E 3.9548 8.8609 120.8185 59.1232 29.6420 178.3751 126 A 4.2228 8.1500 120.9530 53.7440 18.4863 178.4769 127 G 3.9961 8.1925 104.2514 45.2185 0.0000 174.2287 128 R 4.2937 7.6956 120.7178 56.3250 30.2830 175.9006 129 H 5.2565 8.3447 118.8394 53.7831 32.1072 173.2417 130 S 4.5943 8.6970 115.4069 58.5481 64.8767 173.0681 131 R 5.3899 7.6445 113.7090 55.6665 30.9670 173.4333 *133 I 3.9347 8.0950 116.6141 61.3096 38.9800 176.1498 134 W 5.4162 9.0714 127.2380 55.1885 33.7764 173.9333 135 T 5.8219 8.6318 111.6867 59.4871 70.5003 173.2239 136 N 5.2406 8.5457 120.5923 50.9123 42.4117 173.7816 137 P 4.2605 0.0000 0.0000 64.7445 31.9866 175.9211 138 V 4.4076 7.2047 116.2984 60.2506 35.1703 172.1436 *140 P 4.1609 0.0000 0.0000 63.4904 32.1496 177.2043 141 L 3.5966 9.1616 119.8736 54.8847 39.3726 173.7757 142 N 4.2358 8.2539 114.6064 54.2346 37.4335 173.7242 143 S 4.7187 8.0328 109.6824 57.7647 63.2448 173.9649 144 L 4.6181 9.0309 128.8127 57.6589 42.8560 176.0889 145 C 5.2709 7.7139 110.7711 56.9810 32.8907 173.2091 146 L 4.5840 9.0510 121.0455 53.3372 45.4848 174.9849 147 V 4.9260 8.3512 124.7236 61.2929 35.0519 173.6644 148 Y 4.8777 9.2280 124.0496 56.1455 41.4277 174.5046 149 L 5.2279 8.3591 122.9836 52.9318 45.3046 175.9921 150 F 4.8663 8.7293 119.2917 55.6619 42.6976 173.9076 151 A 5.0291 9.2796 124.8921 50.0442 22.8032 174.0077 152 E 5.0809 9.4652 122.0214 54.7251 31.7697 176.0415 153 L 4.4445 8.8139 126.3281 54.8652 41.6206 176.3404 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 3 N 8.41 4.67 0.00 2.72 2.86 0.00 0.00 6.91 6.65 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 4 T 7.67 4.24 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 1.20 0.00 0.00 5 P 0.00 4.26 0.00 1.84 1.16 0.00 3.81 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 2.09 1.82 0.00 6 E 8.07 3.89 0.00 2.01 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 2.38 2.39 0.00 7 S 8.03 4.15 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.74 4.02 0.00 1.93 1.94 0.00 3.20 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 9 L 8.01 3.94 0.00 1.82 1.86 0.86 0.66 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 10 V 7.80 3.53 2.22 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 1.09 0.00 0.00 0.93 0.00 0.00 11 A 8.29 3.96 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 12 A 7.85 4.35 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.09 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.10 4.63 0.00 1.71 1.60 0.93 0.99 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 15 E 8.48 4.60 0.00 2.17 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 2.20 1.87 0.00 16 L 8.33 4.17 0.00 1.68 1.60 0.92 1.11 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 17 P 0.00 4.58 0.00 2.21 2.11 0.00 3.80 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 2.03 2.05 0.00 18 E 8.34 4.06 0.00 2.19 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 2.31 1.87 0.00 19 V 8.19 3.71 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 0.84 0.00 0.00 0.95 0.00 0.00 20 A 8.39 4.01 1.11 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 0.00 0.00 21 A 8.10 4.13 1.17 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 0.00 0.00 22 A 8.18 3.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.75 4.39 0.00 1.95 1.85 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 G 6.86 4.11 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 0.00 0.00 0.00 25 N 8.76 4.68 0.00 2.76 2.81 0.00 0.00 6.51 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 6.59 4.95 0.00 3.00 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 27 E 8.62 4.33 0.00 2.00 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 2.35 2.16 0.00 28 P 0.00 4.59 0.00 2.47 2.39 0.00 3.57 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 1.98 1.95 0.00 29 Y 7.01 5.14 0.00 3.15 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 30 S 8.51 4.87 0.00 4.00 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 31 I 8.27 4.95 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.91 0.98 0.00 0.00 32 V 8.65 4.41 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 1.01 0.00 0.00 0.97 0.00 0.00 33 G 8.55 4.11 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 0.00 0.00 0.00 34 S 8.90 4.61 0.00 4.03 4.10 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 35 Q 8.53 5.18 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 36 L 9.32 5.59 0.00 1.74 1.69 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *38 T 8.16 4.54 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 39 S 8.62 4.70 0.00 3.99 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 40 G 8.37 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 0.00 0.00 0.00 41 Q 8.25 4.81 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 42 F 8.85 4.91 0.00 2.60 2.44 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 0.00 43 P 0.00 4.93 0.00 2.34 2.41 0.00 3.73 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 2.14 1.99 0.00 44 Y 7.93 5.09 0.00 3.25 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 45 L 8.70 4.66 0.00 1.71 1.49 0.96 1.06 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 46 Q 9.87 3.42 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 47 G 8.33 3.79 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 0.00 0.00 0.00 48 K 7.92 4.52 0.00 2.09 1.74 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.21 7.81 49 L 8.52 4.16 0.00 1.41 1.55 0.57 0.86 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 50 L 8.56 3.93 0.00 1.69 1.19 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.69 4.38 0.00 2.77 2.22 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 52 Q 9.51 5.64 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 53 G 7.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.57 4.82 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 55 L 9.14 4.46 0.00 1.87 1.59 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.77 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.91 4.44 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 58 D 8.22 4.54 0.00 2.36 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 0.00 0.00 0.00 59 Y 7.43 5.00 0.00 3.07 2.87 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 60 T 8.85 4.25 4.29 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 1.26 0.00 0.00 61 V 8.28 3.64 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 1.27 0.00 0.00 0.97 0.00 0.00 62 S 8.08 4.15 0.00 4.07 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.23 4.17 0.00 2.43 2.32 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 2.53 2.46 0.00 64 G 8.47 3.48 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 0.00 65 Y 8.36 4.15 0.00 3.08 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 66 A 8.23 4.06 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 67 A 7.58 3.26 0.45 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 68 C 8.10 3.95 0.00 2.83 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 69 R 7.83 3.83 0.00 1.71 2.04 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 70 L 8.07 3.94 0.00 1.97 1.84 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.11 4.27 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 72 T 7.93 3.82 4.33 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 1.19 0.00 0.00 73 L 8.21 3.99 0.00 1.88 1.88 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.40 4.36 0.00 3.09 2.95 0.00 0.00 6.92 7.23 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 75 A 8.24 3.99 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 76 I 8.30 3.76 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.95 1.02 0.00 0.00 77 A 8.14 3.99 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 78 Q 8.06 3.94 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 79 L 7.87 3.82 0.00 1.92 1.66 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.41 3.92 0.00 1.82 1.95 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 81 Q 7.97 3.93 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 82 A 7.88 3.98 0.29 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 83 C 8.15 4.62 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 84 G 8.66 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 0.00 0.00 0.00 0.00 85 E 7.59 4.77 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 86 L 9.33 4.20 0.00 1.92 1.84 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.09 4.29 0.00 3.87 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 88 R 7.87 4.06 0.00 1.95 2.01 0.00 3.40 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 89 I 7.55 4.14 2.13 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 1.27 0.50 0.80 0.00 0.00 90 K 9.04 4.38 0.00 1.80 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.42 7.81 91 Q 7.79 4.73 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 92 I 8.56 4.54 1.65 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.03 0.74 0.00 0.00 93 Y 8.39 4.50 0.00 3.07 3.37 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 94 R 7.28 5.04 0.00 1.78 1.27 0.00 3.22 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.54 0.00 95 L 8.81 5.24 0.00 1.64 1.43 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.67 5.01 0.00 2.28 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 0.00 2.19 2.41 0.00 97 G 8.79 4.58 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 0.00 0.00 0.00 98 V 9.06 5.35 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 1.17 0.00 0.00 1.12 0.00 0.00 99 L 8.88 5.34 0.00 1.69 1.52 0.97 0.24 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 0.00 100 N 8.84 5.34 0.00 2.83 2.90 0.00 0.00 6.48 7.26 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 0.00 101 V 8.19 4.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 102 H 9.49 4.51 0.00 3.38 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.49 3.99 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.33 1.94 0.00 104 S 8.12 4.34 0.00 4.06 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 0.00 105 C 8.20 4.80 0.00 2.97 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 0.00 106 I 8.50 4.62 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.95 0.00 0.00 107 E 8.11 4.58 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 2.37 2.25 0.00 108 H 8.33 4.30 0.00 3.37 3.57 0.00 5.47 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 0.00 109 P 0.00 4.16 0.00 2.12 2.07 0.00 3.49 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 110 K 7.94 4.25 0.00 2.22 1.93 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.33 7.81 111 A 7.90 4.28 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 0.00 112 L 8.19 3.84 0.00 1.74 1.64 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.12 4.55 0.00 3.17 2.87 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 0.00 114 G 7.65 2.29 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 0.00 115 A 7.50 4.08 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 0.00 116 S 7.93 4.10 0.00 3.90 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 0.00 117 D 8.56 4.43 0.00 2.74 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 0.00 118 L 7.60 3.99 0.00 1.88 1.77 0.93 0.64 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 0.00 119 L 7.96 4.19 0.00 1.95 1.74 0.62 0.61 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 0.00 120 L 7.97 4.07 0.00 1.93 1.76 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.24 3.94 0.00 2.09 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 2.32 2.36 0.00 122 I 8.16 3.92 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.79 0.38 0.00 0.00 123 F 8.67 4.58 0.00 3.34 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 0.00 124 G 8.72 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 0.00 125 E 8.86 3.95 0.00 2.05 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 2.43 2.28 0.00 126 A 8.15 4.22 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 0.00 127 G 8.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.70 4.29 0.00 1.69 1.90 0.00 3.35 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 129 H 8.34 5.26 0.00 3.07 3.39 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.70 4.59 0.00 3.93 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 0.00 131 R 7.64 5.39 0.00 2.03 1.99 0.00 2.65 0.00 0.00 3.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 *133 I 8.10 3.93 1.73 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 1.38 0.82 0.77 0.00 0.00 134 W 9.07 5.42 0.00 3.33 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.63 5.82 4.24 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 1.06 0.00 0.00 136 N 8.55 5.24 0.00 2.66 2.69 0.00 0.00 6.89 8.03 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 0.00 137 P 0.00 4.26 0.00 2.19 2.19 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 138 V 7.20 4.41 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 0.89 0.00 0.00 0.95 0.00 0.00 *140 P 0.00 4.16 0.00 2.66 2.18 0.00 3.95 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 141 L 9.16 3.60 0.00 1.70 1.66 0.42 0.98 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 0.00 142 N 8.25 4.24 0.00 2.97 2.85 0.00 0.00 6.74 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.03 4.72 0.00 4.21 3.94 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 0.00 144 L 9.03 4.62 0.00 1.81 1.55 1.16 0.27 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 0.00 145 C 7.71 5.27 0.00 3.01 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 0.00 146 L 9.05 4.58 0.00 1.53 1.41 -0.44 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.35 4.93 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 0.96 0.00 0.00 0.86 0.00 0.00 148 Y 9.23 4.88 0.00 3.08 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 0.00 149 L 8.36 5.23 0.00 1.35 1.38 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.73 4.87 0.00 2.13 2.26 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 0.00 151 A 9.28 5.03 1.08 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 0.00 0.00 152 E 9.47 5.08 0.00 2.16 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 2.26 2.28 0.00 153 L 8.81 4.44 0.00 1.55 1.56 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.