NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2303 8.1849 120.6322 53.5852 42.7965 176.4642 8 P 4.2282 0.0000 0.0000 61.2641 31.8966 172.8823 9 P 4.2586 0.0000 0.0000 65.9994 32.1778 176.1754 10 G 3.6748 9.2280 111.4764 44.5801 0.0000 171.5943 11 W 5.4886 7.5037 118.4140 55.1409 30.8511 175.6556 12 E 4.9610 9.4395 120.6064 54.4459 32.9944 174.4537 13 K 4.4217 8.7822 122.4602 56.4502 33.3853 175.4302 14 A 4.6007 8.3641 127.4767 50.5300 23.4450 173.8926 15 M 5.1421 8.2295 117.2262 53.5986 35.0639 175.1678 16 S 4.3107 9.5607 121.8377 58.8232 62.9437 175.4890 17 R 4.0115 8.9443 126.5913 58.7177 30.2327 177.7843 18 S 4.5180 8.0794 111.4095 59.1365 63.8657 174.8817 19 S 4.5260 8.1862 113.3657 57.0476 64.5388 175.3556 20 G 3.9931 8.5009 108.5469 44.9718 0.0000 173.4282 21 R 4.3158 7.7463 120.5431 55.8159 31.3619 176.1944 22 V 4.4931 8.4872 118.9265 61.9778 32.6135 174.6992 23 Y 5.0163 8.6654 121.3304 56.0618 42.2699 172.8612 24 Y 5.2444 9.4624 116.1239 56.2696 41.6370 175.0220 25 F 5.5477 9.5611 124.8805 56.4660 43.4473 172.8627 26 N 5.0239 7.8655 124.0785 50.8495 40.3192 174.2547 27 H 4.2565 8.1957 121.0356 56.5057 28.9254 176.0529 28 I 4.0048 7.6950 120.6222 63.0409 37.9593 176.7429 29 T 4.1017 7.4797 108.1288 60.7938 69.7292 175.2637 30 N 4.3847 8.0660 118.6198 53.9058 36.9509 173.6034 31 A 4.5643 7.3735 120.8270 52.0117 19.7153 177.5553 32 S 5.6070 8.5698 113.9298 57.1245 65.9180 173.1193 33 Q 4.5775 9.3872 119.0460 55.1873 31.6455 175.5446 34 W 4.6827 8.8889 120.4358 59.5482 29.6962 177.4108 35 E 4.3439 8.1492 116.2390 55.3413 29.7542 176.3623 36 R 2.5100 8.2407 122.6365 54.8930 30.3656 174.7284 37 P 4.0850 0.0000 0.0000 62.2242 32.5072 175.7771 38 S 4.6116 7.6080 122.9171 57.7145 60.9373 175.5268 *51 E 4.2078 8.6049 114.9708 54.6658 30.1000 173.7311 52 P 4.4063 0.0000 0.0000 62.9508 32.0091 176.3669 53 A 4.2573 8.6345 123.1027 54.6955 18.7571 178.1032 54 R 5.1254 7.7290 111.6927 54.6264 34.1450 175.4372 55 V 4.2558 7.9215 113.4752 59.3994 36.3925 174.3435 56 R 4.8852 7.8673 121.6523 54.0018 32.7415 174.2916 57 C 5.3635 8.6716 121.8303 58.3299 32.9610 173.0528 58 S 5.6031 9.0105 117.4860 57.5473 65.6922 172.6689 59 H 5.5418 9.4869 116.0655 54.5673 32.6758 171.8752 60 L 4.7396 9.2980 121.2760 53.2323 44.6065 174.5700 61 L 4.9880 8.7962 128.9628 53.3133 44.6702 175.0141 62 V 4.6299 8.7321 126.5010 61.1529 33.4381 175.2357 63 K 4.7109 8.9059 128.1242 56.2091 33.5363 175.5802 64 H 5.0470 8.9174 116.9475 53.8285 31.7337 174.4176 65 S 4.2128 8.9773 114.0757 61.0560 62.5763 175.1689 66 Q 4.4744 8.1259 117.5568 55.5277 28.9771 175.8855 67 S 4.3140 7.7916 115.2634 58.3335 63.4778 174.2458 68 R 3.9758 8.7041 124.9711 59.0450 29.7290 176.7006 69 R 4.4291 7.5071 117.7436 53.5868 30.9536 173.1949 70 P 4.6278 0.0000 0.0000 60.6088 30.1348 176.0700 71 S 4.9615 7.3126 111.8414 58.2407 65.7739 172.7713 72 S 4.6331 8.6099 119.6081 56.8444 65.7575 174.9696 73 W 4.3512 8.7535 116.7484 59.2917 27.8607 177.5805 74 R 3.3824 6.9877 117.9182 58.2321 29.8957 176.9478 75 Q 4.3749 7.5970 118.0217 54.8260 32.3638 174.3790 76 E 3.7938 9.0525 126.9798 58.1956 29.9487 176.1970 77 K 4.4670 7.7853 119.8949 54.4254 33.3285 174.9276 78 I 4.1557 8.6084 129.3240 60.7148 37.3975 176.1426 79 T 4.4980 8.2779 114.7539 61.1107 70.5208 174.9167 80 R 4.1703 7.7535 119.7481 56.3089 30.1390 176.3184 81 T 4.4204 8.8608 111.2035 61.1075 71.0067 175.6572 82 K 3.7150 8.4992 122.4102 59.8315 32.1207 178.6731 83 E 3.9767 8.1237 118.1926 59.5549 29.4374 179.0744 84 E 4.0772 8.3156 118.3260 59.2539 29.4409 179.1957 85 A 3.9583 8.2275 121.0492 55.1145 18.3644 179.4812 86 L 3.8489 8.1540 118.9057 58.2343 42.1738 178.9156 87 E 3.8904 8.1811 118.5875 59.3474 29.3478 179.3699 88 L 3.5124 7.7382 118.8160 57.6434 41.5796 179.5358 89 I 3.7586 7.6968 119.6882 64.6505 37.1008 178.2632 90 N 4.4163 8.4516 117.6408 56.1684 38.3015 177.7630 91 G 3.4654 8.0077 107.1547 47.9135 0.0000 175.4100 92 Y 4.3906 7.7037 119.3522 60.8753 37.8171 178.4973 93 I 3.7940 8.1480 121.0208 64.6554 37.2504 178.2486 94 Q 4.0389 8.1695 118.5232 59.2291 28.7236 179.4407 95 K 4.0833 8.1729 119.2487 59.3799 31.9453 179.6585 96 I 4.2419 8.0211 121.6460 63.9941 36.8752 178.6995 97 K 4.1268 8.3037 118.7602 59.2751 31.9623 179.2498 98 S 4.3659 8.2149 113.4859 59.3658 63.2271 175.4929 99 G 4.0227 7.7540 109.8909 45.3467 0.0000 174.2512 100 E 4.1608 8.0196 119.3619 58.6725 29.7663 177.1871 101 E 4.8211 8.1590 116.1769 53.8017 33.8013 174.4216 102 D 4.8357 8.3759 120.8306 53.2946 43.3978 177.4204 103 F 4.0145 8.9245 124.9478 61.8690 39.3783 177.5641 104 E 4.0562 8.3829 117.4240 59.3583 29.3995 179.2120 105 S 4.0130 7.9271 112.7038 61.3984 62.5988 176.0842 106 L 3.9235 7.8579 121.4967 57.4883 41.2740 179.3127 107 A 3.7127 7.8420 121.1583 55.2442 17.7723 179.8434 108 S 4.2400 7.9590 113.5761 61.8038 62.6198 176.8848 109 Q 3.9282 7.4457 119.1007 57.4489 28.6482 176.7045 110 F 4.9751 7.8042 114.4054 56.5615 41.0407 175.1005 111 S 4.4412 8.0536 116.8366 58.2806 62.7837 173.9949 112 D 4.6159 9.0464 130.7912 53.7965 40.6222 176.0343 113 C 4.9058 7.8663 117.9120 56.7782 35.1963 174.4804 114 S 4.1361 8.8734 120.9503 61.0051 62.6107 176.3898 115 S 4.2485 8.2024 117.1701 60.2734 62.6201 175.5701 116 A 3.9913 8.0950 125.4650 55.5984 17.8403 179.5352 117 K 3.9094 7.8514 114.8932 57.9381 32.3351 177.5735 118 A 4.6473 7.8552 122.8588 51.8204 19.4190 176.8741 119 R 3.9016 8.2160 114.9420 57.9990 28.2753 178.2222 120 G 4.1746 8.2543 105.3057 46.3590 0.0000 173.7660 121 D 4.7774 7.8678 119.4627 53.9819 41.5059 175.7887 122 L 4.4793 8.8190 125.4195 53.8448 42.7998 177.8626 123 G 3.8203 8.4114 108.2574 44.4890 0.0000 172.2735 124 A 4.7064 8.3024 119.8802 51.4665 20.2723 177.0698 125 F 5.1868 8.5173 114.2732 56.0992 41.8628 173.0511 126 S 5.3644 9.2535 114.8641 56.1796 65.8069 173.9941 127 R 4.0457 8.2450 118.8525 57.8328 30.0867 177.3278 128 G 4.1043 9.5730 110.0937 45.5023 0.0000 173.6982 129 Q 4.4041 8.0340 116.8067 57.2187 31.0615 176.0219 130 M 4.2587 7.6555 114.8205 53.6410 33.6319 176.4220 131 Q 4.0403 8.2837 119.1070 56.3552 30.4794 178.1461 132 K 3.9433 8.6906 124.7430 59.4636 32.4072 177.4812 133 P 4.3010 0.0000 0.0000 65.3124 31.1511 178.4976 134 F 3.9207 8.2003 119.3106 61.0335 39.4055 176.4353 135 E 4.3370 8.6634 119.2533 59.8223 29.4824 178.5847 136 D 4.4265 8.5753 118.7561 57.3077 40.8850 178.6990 137 A 3.9048 7.9833 121.1882 55.3130 18.1682 179.8207 138 S 3.9309 7.9601 112.4744 61.8024 63.0416 176.6888 139 F 4.0589 8.4701 118.3679 59.2560 38.8433 176.9649 140 A 4.3233 7.5503 118.8526 52.4960 19.2804 177.7889 141 L 4.2216 7.1452 117.3361 54.8434 42.4585 177.3704 142 R 4.3082 8.9043 121.2840 55.2827 31.1116 176.3990 143 T 3.9525 8.1585 116.7379 65.4560 68.6108 175.0729 144 G 3.9071 9.0380 115.9925 44.9206 0.0000 173.1099 145 E 4.3454 8.0309 121.0142 55.9023 31.1705 174.7560 146 M 5.2331 8.3672 123.8605 53.6005 34.8836 175.4491 147 S 4.3714 8.9567 120.8892 58.0797 64.7311 173.7616 148 G 4.3374 8.1287 107.2888 44.2600 0.0000 171.1376 149 P 4.5786 0.0000 0.0000 62.7739 32.0272 176.2163 150 V 4.5051 8.7683 124.9593 61.1081 34.0898 174.0028 151 F 5.4286 9.2418 126.6812 56.3364 40.7770 175.1458 152 T 4.8723 8.9825 112.5212 59.8564 72.1451 174.3472 153 D 4.5518 8.6320 119.7359 57.0858 40.9721 179.2561 154 S 4.2343 8.1540 115.3434 59.3378 63.9659 175.2433 155 G 3.8750 6.4152 108.7027 45.6378 0.0000 171.1704 156 I 4.7937 8.0949 123.9194 59.7216 40.3494 174.6479 157 H 5.5768 9.3488 123.4360 54.1412 32.3758 172.9107 158 I 4.7643 8.7978 122.3803 59.7785 39.5916 174.5905 159 I 4.9020 8.8108 128.1494 59.3003 40.0449 174.2714 160 L 4.8068 8.8006 128.8956 53.0150 44.5519 175.0154 161 R 4.5831 8.6762 128.1301 56.1893 30.4700 176.5132 162 T 4.3056 8.8620 117.0685 62.2639 70.7128 174.7397 163 E 4.1481 7.7099 125.7297 56.7088 30.5933 174.6199 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 7 L 8.18 4.23 0.00 1.79 1.72 1.11 0.59 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 8 P 0.00 4.23 0.00 2.57 2.09 0.00 3.36 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 9 P 0.00 4.26 0.00 2.04 2.07 0.00 3.73 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 2.08 2.16 0.00 10 G 9.23 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 11 W 7.50 5.49 0.00 3.23 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 0.00 12 E 9.44 4.96 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 13 K 8.78 4.42 0.00 1.84 1.71 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.25 1.05 7.81 14 A 8.36 4.60 0.46 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 15 M 8.23 5.14 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 16 S 9.56 4.31 0.00 4.23 4.07 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 17 R 8.94 4.01 0.00 1.86 2.00 0.00 3.26 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 18 S 8.08 4.52 0.00 4.00 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 19 S 8.19 4.53 0.00 3.99 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 20 G 8.50 3.99 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 0.00 0.00 0.00 21 R 7.75 4.32 0.00 1.89 1.82 0.00 2.78 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 22 V 8.49 4.49 1.93 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 0.77 0.00 0.00 1.00 0.00 0.00 23 Y 8.67 5.02 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.46 5.24 0.00 2.94 3.02 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 25 F 9.56 5.55 0.00 3.20 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 26 N 7.87 5.02 0.00 1.44 1.49 0.00 0.00 6.84 8.75 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 27 H 8.20 4.26 0.00 3.21 3.47 0.00 5.76 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 28 I 7.69 4.00 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.13 0.87 0.00 0.00 29 T 7.48 4.10 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 1.01 0.00 0.00 30 N 8.07 4.38 0.00 3.10 3.12 0.00 0.00 6.74 6.63 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 31 A 7.37 4.56 1.28 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 32 S 8.57 5.61 0.00 3.99 4.21 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 33 Q 9.39 4.58 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 34 W 8.89 4.68 0.00 3.39 3.30 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 35 E 8.15 4.34 0.00 1.98 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 2.37 2.40 0.00 36 R 8.24 2.51 0.00 1.48 1.56 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 0.00 37 P 0.00 4.09 0.00 1.07 0.49 0.00 2.21 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.00 38 S 7.61 4.61 0.00 3.75 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 *51 E 8.60 4.21 0.00 2.26 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 2.19 2.37 0.00 52 P 0.00 4.41 0.00 2.38 2.10 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 53 A 8.63 4.26 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 54 R 7.73 5.13 0.00 1.63 1.78 0.00 3.10 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 55 V 7.92 4.26 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 -0.09 0.00 0.00 -0.42 0.00 0.00 56 R 7.87 4.89 0.00 1.75 1.64 0.00 3.32 0.00 0.00 3.27 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 57 C 8.67 5.36 0.00 3.27 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 58 S 9.01 5.60 0.00 3.71 4.12 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 59 H 9.49 5.54 0.00 3.65 3.72 0.00 5.20 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.30 4.74 0.00 1.38 1.53 0.48 0.89 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 61 L 8.80 4.99 0.00 1.75 1.46 0.76 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 62 V 8.73 4.63 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 0.93 0.00 0.00 1.09 0.00 0.00 63 K 8.91 4.71 0.00 1.65 1.67 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.35 7.81 64 H 8.92 5.05 0.00 3.38 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.98 4.21 0.00 3.99 4.31 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 66 Q 8.13 4.47 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 67 S 7.79 4.31 0.00 3.87 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 68 R 8.70 3.98 0.00 1.75 1.99 0.00 3.20 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 69 R 7.51 4.43 0.00 1.75 1.78 0.00 3.45 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 70 P 0.00 4.63 0.00 2.25 2.20 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 71 S 7.31 4.96 0.00 3.80 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 72 S 8.61 4.63 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.75 4.35 0.00 3.55 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 74 R 6.99 3.38 0.00 1.46 1.53 0.00 2.72 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.60 4.37 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 76 E 9.05 3.79 0.00 1.96 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 2.29 2.30 0.00 77 K 7.79 4.47 0.00 1.70 1.66 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 78 I 8.61 4.16 1.94 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 1.30 0.63 0.89 0.00 0.00 79 T 8.28 4.50 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 1.26 0.00 0.00 80 R 7.75 4.17 0.00 2.11 2.09 0.00 3.11 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 81 T 8.86 4.42 4.39 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 1.20 0.00 0.00 82 K 8.50 3.71 0.00 1.59 1.79 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.41 7.81 83 E 8.12 3.98 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 84 E 8.32 4.08 0.00 2.17 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 2.30 2.30 0.00 85 A 8.23 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.15 3.85 0.00 1.85 1.88 0.95 1.03 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 87 E 8.18 3.89 0.00 2.13 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 2.29 2.51 0.00 88 L 7.74 3.51 0.00 1.73 1.30 0.83 0.57 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 89 I 7.70 3.76 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.90 0.90 0.00 0.00 90 N 8.45 4.42 0.00 2.81 2.83 0.00 0.00 6.97 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 91 G 8.01 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.70 4.39 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 3.79 2.07 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 0.96 0.97 0.00 0.00 94 Q 8.17 4.04 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 95 K 8.17 4.08 0.00 2.06 1.94 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.67 7.81 96 I 8.02 4.24 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.58 1.06 0.00 0.00 97 K 8.30 4.13 0.00 1.83 1.93 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.64 7.81 98 S 8.21 4.37 0.00 4.07 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 99 G 7.75 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 0.00 0.00 0.00 100 E 8.02 4.16 0.00 2.06 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 2.38 2.32 0.00 101 E 8.16 4.82 0.00 2.04 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 2.28 2.49 0.00 102 D 8.38 4.84 0.00 2.72 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 0.00 103 F 8.92 4.01 0.00 3.15 3.11 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 0.00 104 E 8.38 4.06 0.00 2.15 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 2.49 2.64 0.00 105 S 7.93 4.01 0.00 3.87 4.01 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 0.00 106 L 7.86 3.92 0.00 1.48 1.33 0.99 0.75 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 0.00 107 A 7.84 3.71 0.94 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 0.00 108 S 7.96 4.24 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.45 3.93 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 110 F 7.80 4.98 0.00 2.72 2.85 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 0.00 111 S 8.05 4.44 0.00 3.80 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 0.00 112 D 9.05 4.62 0.00 2.75 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 0.00 113 C 7.87 4.91 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.87 4.14 0.00 4.03 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 0.00 115 S 8.20 4.25 0.00 4.27 4.22 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 0.00 116 A 8.09 3.99 1.60 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 0.00 0.00 117 K 7.85 3.91 0.00 1.59 1.70 0.00 1.35 0.00 0.00 1.21 0.00 0.00 2.38 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.09 1.28 7.81 118 A 7.86 4.65 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 0.00 119 R 8.22 3.90 0.00 2.04 2.08 0.00 3.16 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 120 G 8.25 4.17 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 0.00 121 D 7.87 4.78 0.00 2.71 2.74 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 0.00 122 L 8.82 4.48 0.00 1.99 1.74 0.88 0.75 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 0.00 123 G 8.41 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.30 4.71 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 0.00 125 F 8.52 5.19 0.00 3.30 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 0.00 126 S 9.25 5.36 0.00 3.94 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 0.00 127 R 8.24 4.05 0.00 1.60 1.73 0.00 2.84 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 128 G 9.57 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 0.00 0.00 0.00 129 Q 8.03 4.40 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 130 M 7.66 4.26 0.00 1.77 1.95 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.76 0.00 131 Q 8.28 4.04 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 132 K 8.69 3.94 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.63 7.81 133 P 0.00 4.30 0.00 2.40 2.18 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 134 F 8.20 3.92 0.00 3.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.66 4.34 0.00 2.24 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 2.46 2.68 0.00 136 D 8.58 4.43 0.00 2.81 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 0.00 137 A 7.98 3.90 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 0.00 138 S 7.96 3.93 0.00 4.23 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 0.00 139 F 8.47 4.06 0.00 3.14 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 0.00 140 A 7.55 4.32 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 0.00 141 L 7.15 4.22 0.00 1.71 1.55 0.83 0.87 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 0.00 142 R 8.90 4.31 0.00 1.88 1.84 0.00 3.13 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 143 T 8.16 3.95 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 1.16 0.00 0.00 144 G 9.04 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 0.00 0.00 0.00 145 E 8.03 4.35 0.00 2.09 1.92 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 2.32 2.31 0.00 146 M 8.37 5.23 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 147 S 8.96 4.37 0.00 4.02 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 0.00 148 G 8.13 4.34 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 0.00 149 P 0.00 4.58 0.00 1.92 1.81 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 150 V 8.77 4.51 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 1.05 0.00 0.00 0.92 0.00 0.00 151 F 9.24 5.43 0.00 2.92 3.05 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 0.00 0.00 0.00 152 T 8.98 4.87 4.35 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 1.37 0.00 0.00 153 D 8.63 4.55 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 0.00 154 S 8.15 4.23 0.00 3.97 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 0.00 155 G 6.42 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 0.00 156 I 8.09 4.79 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.79 0.35 0.00 0.00 157 H 9.35 5.58 0.00 3.09 3.40 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.80 4.76 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 1.13 0.00 0.00 159 I 8.81 4.90 1.66 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.55 0.62 0.00 0.00 160 L 8.80 4.81 0.00 0.69 0.63 0.76 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.68 4.58 0.00 1.80 1.82 0.00 3.06 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 162 T 8.86 4.31 4.19 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 1.13 0.00 0.00 163 E 7.71 4.15 0.00 1.82 1.74 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 2.17 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.