NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 D 4.6157 8.3493 120.1910 54.4612 42.4388 174.7397 24 D 4.7371 8.2543 122.2584 52.3987 40.3783 176.0820 25 T 3.8378 8.4902 120.2662 67.1333 69.1994 177.5884 26 R 3.8465 7.8451 120.1146 59.4747 30.1783 178.6331 27 V 2.2417 7.4366 117.5227 65.4633 31.5085 177.9609 28 V 3.1984 7.6885 117.9085 65.5440 31.2655 177.7994 29 A 3.9572 7.9294 120.8919 55.4689 18.3262 179.3075 30 Y 4.3346 7.9104 116.1153 59.8520 38.0371 178.2991 31 G 3.5765 7.9534 108.2014 48.0967 0.0000 175.8389 32 T 3.9978 8.0341 118.0577 66.4799 68.4037 177.2429 33 T 4.0037 8.0895 117.9182 66.4827 68.4277 176.2470 34 D 4.3392 8.2330 120.1477 57.1883 41.3168 177.7126 35 E 3.9582 8.4978 120.1728 59.3193 29.5764 178.2340 36 L 4.0806 8.3371 120.6727 58.5844 41.9548 178.3677 37 N 4.3870 8.6115 117.1792 56.8969 38.7983 176.8737 38 S 4.0960 8.1927 115.5524 61.5545 63.0312 176.5805 39 F 4.0551 8.2976 121.4184 59.8705 38.5824 177.8381 40 V 3.6577 8.3319 118.6723 65.8577 31.1097 178.0854 41 G 3.7235 7.9545 104.2646 48.1123 0.0000 175.3876 42 S 4.2396 8.0151 117.4717 61.1968 62.8573 176.6097 43 A 4.1592 8.0682 124.8196 54.6816 18.0787 179.5786 44 I 3.5349 7.8303 118.4973 64.7353 36.9657 178.4428 45 T 4.1088 7.5435 108.0407 63.7629 68.7765 175.7375 46 Q 4.3114 7.8925 119.7807 55.5842 29.1445 175.2107 47 L 4.5511 7.1537 120.9693 52.3574 43.5946 176.4536 48 D 4.4954 8.9836 123.1883 54.5909 42.3473 176.7247 49 E 4.1016 8.9631 126.3468 59.5814 29.6024 178.9660 50 N 4.5492 8.1523 114.9946 56.5249 39.1303 177.3800 51 T 3.8196 8.3534 115.9680 65.2661 68.7634 174.8024 52 F 5.0135 8.0118 119.4261 56.3806 40.4602 177.1835 53 A 4.2113 8.4302 124.9259 55.1910 18.2111 179.3258 54 D 4.3923 8.1552 117.1463 57.0682 39.5491 178.8998 55 I 3.9808 7.9334 121.6968 63.6039 37.1921 178.4472 56 R 3.9857 8.7614 119.6349 59.2188 29.9593 179.1937 57 G 3.9103 8.2918 105.4452 48.0970 0.0000 175.5139 58 E 4.1854 8.5069 121.1368 59.1758 29.5496 179.5266 59 L 4.1375 8.4601 119.4029 57.8331 41.7371 179.5044 60 F 4.3741 8.2586 117.8019 60.3897 38.8200 177.5162 61 K 3.9087 8.3468 119.2103 59.7460 32.0301 178.7259 62 I 4.2316 8.2528 121.6305 64.0839 37.0334 178.4356 63 Q 4.5348 8.2392 120.1118 58.7217 28.5345 178.2327 64 H 4.1469 8.3345 119.1845 59.4534 29.8877 177.2462 65 E 3.9960 8.4465 120.3921 59.3375 29.1999 179.3309 66 L 4.2410 8.7860 119.5506 57.5745 41.7910 179.2084 67 F 4.0249 8.4736 120.7558 61.4589 39.3183 176.9432 68 D 4.4200 8.2821 118.4592 57.5835 40.5301 178.4477 69 C 4.1550 8.5979 117.7957 62.7824 28.1303 176.4441 70 G 3.6446 8.3334 107.4301 47.7692 0.0000 175.8900 71 G 3.4926 7.4396 106.7400 47.5037 0.0000 175.1587 72 D 4.6875 7.9912 120.2887 57.2590 40.9361 178.6094 73 L 4.1947 8.0357 118.3484 57.0464 42.9877 178.9838 74 A 4.4034 7.6207 123.7933 52.0715 14.3152 177.2209 *76 L 4.4100 7.6059 127.2202 53.3492 43.8060 179.7369 77 K 4.7557 7.6992 118.9298 51.8128 35.0679 178.1309 78 V 3.5941 8.3854 125.9336 61.1636 32.1434 176.2019 79 K 4.6045 7.9308 124.0189 53.0511 35.3950 176.4257 80 E 3.8258 8.7473 116.4931 61.1113 29.6798 180.1039 81 D 4.7116 8.0027 117.9116 54.5634 40.1747 180.4007 82 R 4.7534 7.9555 118.0780 55.2430 30.9698 177.6874 83 P 4.3902 0.0000 0.0000 61.9125 32.6555 177.0079 84 Y 4.5877 7.9903 116.7427 58.3956 38.3588 176.7077 85 K 4.1200 9.4377 122.7760 58.3294 32.8137 177.5023 86 A 4.1269 8.5556 122.8703 51.5051 18.5935 176.6660 87 K 4.7122 8.1442 121.3945 54.0494 36.0335 176.9629 88 Q 3.9733 8.7512 120.8776 59.7544 28.5854 178.3209 89 E 3.9920 8.3959 119.8285 59.5693 29.2631 178.8613 90 I 3.7899 7.9169 112.9240 63.6572 37.6264 178.5792 91 V 3.7971 7.9620 120.2826 65.9751 31.4414 177.5845 92 D 4.4138 8.2030 118.2177 57.4250 40.7003 178.4237 93 F 4.2547 8.5596 121.1230 61.3780 39.3967 177.0542 94 L 3.9235 7.8455 118.5065 57.8983 41.4693 179.3579 95 E 3.9641 8.2240 118.3423 59.5096 29.3966 179.3447 96 Q 3.8841 7.9453 117.9148 59.1814 28.7080 179.4247 97 R 3.4609 7.6774 118.8259 58.8687 29.9781 178.9579 98 I 3.7628 8.1512 120.1198 64.6772 37.1667 178.0623 99 D 4.3069 7.9407 119.0551 57.2909 40.6763 178.6665 100 A 3.8486 7.6656 121.1117 55.5804 18.3544 179.3850 101 Y 4.4098 7.8904 115.3761 61.0682 37.6999 178.3948 102 I 3.7872 8.0386 120.7203 64.1934 37.2557 177.9983 103 K 4.0805 7.8658 119.6054 59.4106 32.1069 178.2278 104 E 4.0806 8.1329 118.3233 58.3619 29.9123 177.1897 105 A 4.2937 7.3211 119.9576 50.7924 19.2371 175.3632 106 P 4.4143 0.0000 0.0000 62.0237 32.0382 176.5034 107 E 3.9554 8.5209 121.6581 56.1750 30.0612 176.3392 108 L 4.1801 8.4547 127.7036 55.2041 42.6185 175.8188 109 E 4.5520 8.8188 124.9281 57.0076 32.0213 175.8228 110 R 4.5995 7.6623 115.4845 53.7056 34.6733 175.3543 111 F 4.3514 8.5693 119.3196 58.0868 40.1605 174.4994 112 I 4.8669 8.6340 122.7621 60.0552 38.6077 175.0653 113 L 4.8370 8.8033 127.3447 52.3380 43.2851 175.0018 114 P 3.8652 0.0000 0.0000 62.9835 32.5087 175.6786 115 G 3.7559 9.2007 106.9989 44.5731 0.0000 171.1807 116 G 4.0991 9.3158 112.7646 45.1548 0.0000 177.5322 117 S 4.3510 6.5233 116.7511 57.7196 65.6723 174.0473 118 E 3.8454 8.7434 123.1107 59.4500 29.3058 179.1631 119 A 3.8393 7.8520 119.9333 55.0973 18.5177 179.0707 120 A 3.7896 8.0097 119.1588 55.3484 18.3881 179.6641 121 A 3.9347 8.2119 119.4990 55.3977 18.3430 180.0569 122 S 4.0820 8.1704 112.6872 61.5345 62.8752 176.7415 123 L 3.8515 7.7553 122.6203 57.7137 41.3376 179.0441 124 H 4.1375 8.4294 116.5903 58.5403 28.5677 177.9395 125 V 3.4128 7.8205 120.1896 66.1719 31.2622 177.7609 126 C 3.7175 7.5741 116.0547 62.5433 27.8781 175.8956 127 R 4.1369 7.8709 120.6827 60.0310 29.7169 178.7227 128 T 3.9726 7.8748 109.2769 64.7944 68.7515 176.6373 129 I 3.7622 7.8990 122.4432 63.6939 37.0634 178.1181 130 A 4.0891 8.4046 122.3869 55.2722 18.2670 179.6223 131 R 3.9227 7.9650 116.8005 59.4310 30.0590 178.6987 132 R 3.8583 7.9710 118.2687 59.3388 30.1243 178.3315 133 A 4.1447 8.4690 120.9729 55.1815 18.3444 178.9125 134 E 3.9094 8.6853 118.2435 59.7798 29.6579 179.3426 135 R 3.8575 7.9900 117.7264 59.5757 30.0118 178.7369 136 Y 4.0896 7.7631 116.1113 60.9989 37.7651 178.6995 137 V 3.6349 8.0465 119.3596 65.8141 31.4821 178.1720 138 V 3.5741 8.1836 118.5196 66.0621 31.1344 177.9991 139 R 3.8846 7.8343 117.0901 59.2659 30.1510 177.8650 140 L 4.1100 8.2843 120.4569 58.2967 41.6468 178.5563 141 Q 4.1871 8.3578 121.1359 58.8221 28.6546 178.5111 142 Q 3.7879 7.8053 117.8743 58.0848 28.8181 177.4285 143 E 4.4799 8.0086 118.7179 57.9615 30.4243 175.6916 144 G 3.9381 7.3320 107.4898 45.9849 0.0000 172.4408 145 E 4.3180 8.8771 115.8465 55.5807 30.2729 171.8311 146 I 4.7023 7.9019 115.4061 57.7837 41.1384 174.4510 147 N 4.0208 7.9911 119.5745 52.1976 38.6002 173.9097 148 P 4.2831 0.0000 0.0000 65.7432 31.2473 178.2838 149 I 3.7119 7.8879 120.0982 64.2906 36.8793 178.4015 150 V 3.5929 7.7435 119.1731 65.7089 31.3326 177.7675 151 L 3.9635 7.8598 119.5554 58.2791 41.9928 178.8431 152 K 3.9495 8.0263 118.3468 59.6022 31.8359 178.6675 153 Y 4.1322 8.3828 119.9102 60.8463 38.8589 178.1364 154 L 3.9309 8.2141 119.9555 57.6166 40.1638 178.9381 155 N 4.5452 8.3239 117.0250 57.0856 38.8670 177.2579 156 R 4.2313 8.1670 119.1901 58.8548 30.0721 178.9504 157 L 3.6210 7.7980 119.5706 57.6053 41.5603 179.5589 158 S 4.3909 7.7533 112.7625 61.7196 62.8538 176.3005 159 D 4.3962 7.6215 120.8159 57.1021 40.4851 178.1336 160 Y 4.0032 8.1961 120.2234 60.8637 38.8524 178.1711 161 F 4.3565 8.6159 118.9791 60.4088 39.0688 177.3483 162 F 3.9665 8.5450 120.0639 61.2854 39.2840 177.0021 163 A 4.0260 8.2377 120.1962 55.4782 18.2700 180.1154 164 V 3.0487 7.7725 110.8799 63.8366 31.4409 178.6632 165 A 3.7977 7.7434 120.8141 55.2033 18.1440 179.9162 166 R 4.0028 7.4239 117.3376 58.7818 30.0804 179.5016 167 V 3.5655 7.3971 117.6755 65.7184 31.4578 178.2364 168 V 3.6923 8.1692 118.3873 66.0958 31.2607 177.6712 169 N 4.2924 8.1393 116.1316 56.3494 38.4200 177.0951 170 S 4.0863 8.1272 114.3719 61.8086 62.2684 176.6719 171 R 4.0190 8.3579 119.3092 58.7499 29.8478 178.1006 172 L 4.3422 7.9179 116.2989 53.9284 42.0650 176.4829 173 Q 3.5224 8.0211 116.9492 57.2336 26.9219 173.9762 174 V 4.5244 7.8266 108.9581 58.6532 35.0095 174.6460 175 P 4.4391 0.0000 0.0000 62.2948 31.5985 176.3417 176 D 4.4819 8.3642 120.5302 54.3217 41.7476 175.4162 177 V 4.3399 8.1336 121.3993 62.3176 32.7414 174.6074 178 E 5.2059 8.6648 126.7149 54.5152 32.9700 175.0253 179 Y 4.2316 9.0304 124.6198 56.9728 39.7488 174.9753 180 E 4.1518 8.8082 129.5285 58.4700 30.0433 178.0846 181 R 3.8908 8.8812 119.1998 56.6072 27.5370 174.2719 182 S 4.6158 7.9372 111.3764 59.2800 63.8758 173.3144 183 A 4.7165 8.0919 121.8879 50.4200 21.8222 176.3446 184 I 2.9273 7.6010 121.9196 61.5809 37.0777 176.0863 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 23 D 8.35 4.62 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.25 4.74 0.00 2.81 2.75 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 25 T 8.49 3.84 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 1.33 0.00 0.00 26 R 7.85 3.85 0.00 1.90 1.93 0.00 3.28 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 27 V 7.44 2.24 1.96 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 0.78 0.00 0.00 0.84 0.00 0.00 28 V 7.69 3.20 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 -0.22 0.00 0.00 0.83 0.00 0.00 29 A 7.93 3.96 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 30 Y 7.91 4.33 0.00 3.11 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 31 G 7.95 3.58 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 32 T 8.03 4.00 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 1.35 0.00 0.00 33 T 8.09 4.00 4.46 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 1.35 0.00 0.00 34 D 8.23 4.34 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 35 E 8.50 3.96 0.00 2.13 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 2.66 2.53 0.00 36 L 8.34 4.08 0.00 1.88 2.00 0.98 0.62 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 37 N 8.61 4.39 0.00 3.07 3.02 0.00 0.00 7.04 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.19 4.10 0.00 3.92 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 39 F 8.30 4.06 0.00 3.23 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 40 V 8.33 3.66 2.34 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 1.10 0.00 0.00 1.14 0.00 0.00 41 G 7.95 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 42 S 8.02 4.24 0.00 4.06 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 43 A 8.07 4.16 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 44 I 7.83 3.53 1.86 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.52 0.00 0.00 45 T 7.54 4.11 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 1.26 0.00 0.00 46 Q 7.89 4.31 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.66 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 47 L 7.15 4.55 0.00 1.72 1.57 0.75 0.17 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 48 D 8.98 4.50 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 4.10 0.00 2.01 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 2.39 2.57 0.00 50 N 8.15 4.55 0.00 2.80 2.85 0.00 0.00 6.93 7.54 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 51 T 8.35 3.82 3.50 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 0.36 0.00 0.00 52 F 8.01 5.01 0.00 3.26 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 53 A 8.43 4.21 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 54 D 8.16 4.39 0.00 3.16 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.93 3.98 2.01 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.89 0.00 0.00 56 R 8.76 3.99 0.00 2.02 2.11 0.00 3.47 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 57 G 8.29 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.51 4.19 0.00 2.52 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 2.86 2.79 0.00 59 L 8.46 4.14 0.00 1.69 1.68 0.92 1.40 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 60 F 8.26 4.37 0.00 3.27 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 61 K 8.35 3.91 0.00 1.93 2.05 0.00 1.24 0.00 0.00 1.21 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.32 7.81 62 I 8.25 4.23 2.11 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 1.05 0.00 0.00 63 Q 8.24 4.53 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 64 H 8.33 4.15 0.00 3.24 3.51 0.00 5.59 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 65 E 8.45 4.00 0.00 2.27 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 66 L 8.79 4.24 0.00 1.95 1.87 1.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.47 4.02 0.00 3.19 3.16 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 68 D 8.28 4.42 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.60 4.15 0.00 3.18 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 70 G 8.33 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 71 G 7.44 3.49 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 0.00 72 D 7.99 4.69 0.00 2.77 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 73 L 8.04 4.19 0.00 1.87 1.89 1.00 1.14 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 74 A 7.62 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 L 7.61 4.41 0.00 1.70 1.64 0.92 0.73 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 77 K 7.70 4.76 0.00 1.71 1.55 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.95 7.81 78 V 8.39 3.59 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 0.00 0.00 0.59 0.00 0.00 0.30 0.00 0.00 79 K 7.93 4.60 0.00 1.69 1.65 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.21 7.81 80 E 8.75 3.83 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 81 D 8.00 4.71 0.00 2.69 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 82 R 7.96 4.75 0.00 1.66 1.79 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 83 P 0.00 4.39 0.00 2.16 2.05 0.00 3.71 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 1.98 1.97 0.00 84 Y 7.99 4.59 0.00 3.01 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 85 K 9.44 4.12 0.00 1.87 2.03 0.00 1.74 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 86 A 8.56 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 87 K 8.14 4.71 0.00 1.77 1.68 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 88 Q 8.75 3.97 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 89 E 8.40 3.99 0.00 2.08 1.96 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 2.41 2.44 0.00 90 I 7.92 3.79 1.88 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.50 0.85 0.00 0.00 91 V 7.96 3.80 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 1.09 0.00 0.00 1.09 0.00 0.00 92 D 8.20 4.41 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.56 4.25 0.00 3.13 3.26 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 94 L 7.85 3.92 0.00 1.90 1.68 0.52 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.22 3.96 0.00 2.18 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 2.34 2.54 0.00 96 Q 7.95 3.88 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 97 R 7.68 3.46 0.00 1.86 1.88 0.00 2.83 0.00 0.00 2.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.27 0.00 98 I 8.15 3.76 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 1.62 0.93 0.95 0.00 0.00 99 D 7.94 4.31 0.00 2.80 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 0.00 100 A 7.67 3.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.85 0.00 0.00 126 C 7.57 3.72 0.00 2.18 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.87 4.14 0.00 2.00 2.24 0.00 3.32 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 128 T 7.87 3.97 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 1.28 0.00 0.00 129 I 7.90 3.76 1.72 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.51 0.95 0.00 0.00 130 A 8.40 4.09 1.59 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 0.00 131 R 7.96 3.92 0.00 2.05 2.12 0.00 3.22 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 132 R 7.97 3.86 0.00 1.98 2.15 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 133 A 8.47 4.14 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 0.00 134 E 8.69 3.91 0.00 2.14 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 2.39 0.00 135 R 7.99 3.86 0.00 1.83 1.71 0.00 3.06 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.88 0.00 136 Y 7.76 4.09 0.00 3.19 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 0.00 137 V 8.05 3.63 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 1.07 0.00 0.00 138 V 8.18 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.97 0.00 0.00 139 R 7.83 3.88 0.00 1.99 2.13 0.00 3.39 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 140 L 8.28 4.11 0.00 1.94 1.88 0.96 1.09 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 0.00 141 Q 8.36 4.19 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 142 Q 7.81 3.79 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 143 E 8.01 4.48 0.00 2.09 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 2.30 2.54 0.00 144 G 7.33 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 0.00 0.00 0.00 145 E 8.88 4.32 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 146 I 7.90 4.70 1.83 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 1.31 1.11 0.93 0.00 0.00 147 N 7.99 4.02 0.00 1.44 2.16 0.00 0.00 6.62 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 0.00 148 P 0.00 4.28 0.00 2.30 2.30 0.00 3.72 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 2.07 2.07 0.00 149 I 7.89 3.71 1.97 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 1.53 1.05 0.90 0.00 0.00 150 V 7.74 3.59 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 1.04 0.00 0.00 0.82 0.00 0.00 151 L 7.86 3.96 0.00 1.81 1.81 0.94 0.72 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 0.00 152 K 8.03 3.95 0.00 2.06 1.90 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 153 Y 8.38 4.13 0.00 3.13 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.21 3.93 0.00 1.91 1.75 1.01 0.54 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 0.00 155 N 8.32 4.55 0.00 2.93 3.01 0.00 0.00 7.23 7.18 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 0.00 156 R 8.17 4.23 0.00 1.77 1.93 0.00 3.36 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 157 L 7.80 3.62 0.00 1.69 1.60 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 158 S 7.75 4.39 0.00 4.19 4.32 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 0.00 159 D 7.62 4.40 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 8.20 4.00 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.62 4.36 0.00 3.15 3.16 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 0.00 162 F 8.55 3.97 0.00 3.28 3.24 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 0.00 163 A 8.24 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 0.00 164 V 7.77 3.05 1.59 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 -0.44 0.00 0.00 0.69 0.00 0.00 165 A 7.74 3.80 1.14 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 0.00 166 R 7.42 4.00 0.00 1.86 1.87 0.00 2.76 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.00 167 V 7.40 3.57 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 0.99 0.00 0.00 1.00 0.00 0.00 168 V 8.17 3.69 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 0.66 0.00 0.00 0.41 0.00 0.00 169 N 8.14 4.29 0.00 2.96 3.09 0.00 0.00 6.70 7.18 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 0.00 170 S 8.13 4.09 0.00 3.99 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 0.00 171 R 8.36 4.02 0.00 1.90 1.80 0.00 3.09 0.00 0.00 3.02 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 172 L 7.92 4.34 0.00 1.89 1.76 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 8.02 3.52 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 174 V 7.83 4.52 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 0.77 0.00 0.00 0.97 0.00 0.00 175 P 0.00 4.44 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 176 D 8.36 4.48 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 4.34 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 0.83 0.00 0.00 0.91 0.00 0.00 178 E 8.66 5.21 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 179 Y 9.03 4.23 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.81 4.15 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 181 R 8.88 3.89 0.00 1.99 1.89 0.00 3.27 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 182 S 7.94 4.62 0.00 4.25 4.15 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 0.00 183 A 8.09 4.72 1.19 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 0.00 0.00 184 I 7.60 2.93 1.68 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.65 0.74 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.