NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3552 8.2493 123.5840 52.3838 19.9530 174.3824 6 Q 4.3170 8.5738 111.3721 56.3455 30.3998 170.1904 7 V 4.6473 7.5607 117.7628 60.5637 36.0553 174.8940 8 R 4.5573 9.3571 128.0182 53.8144 32.2516 172.5186 9 P 4.7998 0.0000 0.0000 61.4923 32.5039 174.6742 10 P 4.4407 0.0000 0.0000 62.6815 31.9647 175.9589 11 L 4.6421 7.9585 120.2260 52.1253 44.0077 174.9467 12 P 3.4724 0.0000 0.0000 61.1348 32.2093 174.1773 13 P 4.4434 0.0000 0.0000 62.8439 31.9783 176.0559 14 F 4.7560 8.6535 121.4829 57.4591 40.3203 174.7195 15 T 4.6342 8.5974 111.3835 59.7490 71.8812 175.3688 16 R 3.0468 8.5416 120.3284 59.3105 30.0148 177.7619 17 E 3.8543 7.9948 118.7248 59.3821 29.6722 178.8200 18 S 4.4159 8.3113 115.2809 60.5593 63.0108 176.3752 19 A 3.4547 7.8981 124.7820 54.9874 18.0951 179.6166 20 I 3.5829 7.6406 118.3529 64.4585 36.5611 178.6329 21 E 3.9219 8.2220 119.4700 59.1553 29.3451 179.0151 22 K 3.7986 8.2081 120.0666 59.7427 32.0517 178.8222 23 I 4.1137 7.9691 119.9555 64.4791 36.9469 178.4274 24 R 3.9052 8.1418 119.5765 59.4212 29.9343 178.5681 25 L 3.9814 8.2674 118.8152 57.6458 41.5542 179.3855 26 A 4.1051 8.0833 120.7368 55.0606 18.3196 179.1648 27 E 4.0127 8.6511 118.2162 59.7615 29.5177 178.7108 28 D 4.5221 8.3236 117.8534 57.3030 41.1540 178.8264 29 G 3.8593 8.3159 106.0355 47.9247 0.0000 175.9004 30 W 4.3514 8.8551 122.1061 59.1199 28.9702 177.7386 31 N 4.9909 8.7944 115.1795 54.5600 37.8001 176.4790 32 S 4.2555 7.8876 115.5747 57.9977 63.7798 174.0983 33 R 2.0000 6.8289 120.1394 55.9880 27.9882 176.3731 34 D 4.5496 6.8306 117.4877 51.7072 42.3185 173.2205 35 P 4.2729 0.0000 0.0000 65.7413 31.2004 177.9335 36 E 3.8431 8.0720 115.7412 59.2888 29.6113 178.1699 37 R 3.9929 8.7358 118.8955 59.5871 30.2674 178.5503 38 V 3.5600 7.9094 118.2357 66.0191 31.4722 178.0529 39 S 4.3729 8.3473 114.0612 61.4794 62.4579 176.2935 40 L 4.1511 7.5706 120.7439 56.6914 41.5323 178.2040 41 A 4.1427 7.9503 119.5429 52.0870 18.7054 176.1752 42 Y 4.7873 7.1058 115.1341 55.5646 40.5888 176.0115 43 T 4.1610 8.3596 112.3954 61.4990 69.7302 175.1961 44 L 4.0271 8.6913 122.7393 57.4204 41.8821 177.9700 45 D 5.2659 7.6461 117.3774 52.7820 39.2085 177.0302 46 T 4.2543 7.8347 113.3069 63.7820 68.2721 173.0721 47 Q 4.9282 9.1886 126.9013 54.0730 31.2806 174.6866 48 W 5.0760 9.5093 123.8073 54.7725 33.6069 174.7580 49 R 4.3864 8.6701 122.5861 54.6744 32.7227 173.4880 50 N 5.0544 8.8254 126.9991 51.3747 41.0111 175.4318 51 R 3.6213 8.9429 128.5081 57.7940 29.5405 177.2549 52 A 4.5458 8.8274 127.1791 52.5549 19.2907 176.1594 53 E 4.8336 7.9459 119.6985 55.7564 32.5768 174.9051 54 F 5.4454 8.8629 122.1607 55.6518 42.9436 174.2986 55 A 4.6505 8.9813 122.1585 50.5861 22.1570 176.4053 56 H 4.8708 9.8770 117.0996 54.3302 30.0451 173.8538 57 N 4.7709 7.3162 116.6118 50.8464 40.6714 175.0020 58 R 3.6875 8.5835 121.4174 59.4529 30.0043 178.2023 59 E 3.8124 8.0249 118.5590 59.4134 29.7434 178.6024 60 E 3.9055 9.1224 118.6422 58.9762 29.4308 179.2611 61 A 3.0916 7.3936 121.0666 54.6625 18.2650 179.5878 62 K 3.7109 8.0311 118.2615 59.4034 32.2539 178.8340 63 A 3.8961 7.9067 121.1367 54.9919 18.2768 179.3632 64 F 3.9586 8.0313 119.1067 61.4484 39.5284 177.3356 65 L 3.1497 7.6964 118.4706 57.7399 41.0645 179.7365 66 T 3.8309 7.5259 114.8683 66.6101 68.7101 176.7057 67 R 3.8991 7.6006 119.8868 58.8364 30.0574 178.6266 68 K 3.1669 7.4955 120.2035 59.3171 31.9217 177.9810 69 W 4.5876 7.3205 114.4941 57.2087 28.8887 176.9293 70 A 4.4037 7.5619 121.5391 52.5200 19.1895 178.1773 71 K 4.1931 7.7889 115.2186 57.5978 33.4186 176.1841 72 E 4.4274 8.1214 121.4931 54.9510 28.6877 175.6039 73 L 4.4824 8.7710 124.5291 54.6272 43.1473 176.8036 74 D 4.7577 8.6988 118.6319 55.5610 38.3910 173.8642 75 Y 4.7776 8.2923 119.3308 58.0229 39.9862 175.2522 76 R 4.8596 8.9714 125.3483 54.3931 33.6508 174.1000 77 L 5.4116 9.7942 126.3586 53.3641 45.2775 175.7020 78 I 4.7390 8.6200 124.2380 59.7275 40.8679 174.5367 79 K 5.1409 9.3408 126.8112 54.9588 34.8448 175.4902 80 E 4.7335 9.0442 122.5550 54.4827 33.5046 174.1448 81 L 4.1974 8.6890 128.6500 55.6609 42.4425 175.0306 82 W 4.8066 9.1118 134.8428 58.4064 32.1560 175.2688 83 A 4.8139 7.8296 118.9826 51.0993 22.2167 174.1264 84 F 5.4360 8.0558 112.8742 56.2695 41.3792 174.7274 85 T 4.3920 9.6168 117.4596 63.7719 73.7692 175.1178 86 D 4.4875 9.2424 129.2310 55.7557 39.9022 174.8281 87 N 5.2111 9.4064 125.0897 53.3544 38.1119 174.0267 88 R 5.5924 8.6001 118.4942 55.0841 33.4072 175.0374 89 I 5.2262 9.0031 122.0967 59.5999 41.7506 173.9418 90 A 4.8730 9.4775 128.4008 50.1378 21.2839 175.5908 91 V 4.6467 8.4926 122.7349 61.0568 34.8490 174.5056 92 R 5.2106 8.8732 126.1610 55.0604 33.0645 174.6308 93 Y 5.4447 8.7769 119.2559 56.8159 42.2101 172.8451 94 A 5.2129 9.0438 119.8387 51.3105 23.2360 174.9877 95 Y 5.7087 8.8405 117.7387 55.8038 42.0555 173.6664 96 E 5.5298 9.3778 121.2376 54.9372 32.6674 174.9514 97 W 5.5326 8.7559 118.9773 56.3129 32.3091 172.5399 98 H 4.8629 8.6246 115.3676 53.5231 31.4930 173.4395 99 D 5.3647 8.6424 120.3336 52.2251 41.1593 176.8256 100 D 4.5101 8.7897 118.1540 57.7657 40.7225 178.6116 101 S 4.1706 8.1117 113.5646 59.9930 63.0413 175.1130 102 G 3.8245 8.6161 108.5846 44.7754 0.0000 172.8226 103 N 4.6488 8.5119 117.9618 52.0059 40.3026 174.6884 104 W 4.8117 8.3195 122.0525 55.9786 31.6470 175.1916 105 F 4.9729 8.7924 119.7285 55.9822 43.5017 173.3573 106 R 4.8888 8.5904 120.6019 54.7252 32.4488 174.5536 107 S 4.9052 8.9973 122.7083 57.0144 65.3648 172.5377 108 Y 4.7947 8.9802 122.7204 56.2572 40.0195 175.1895 109 G 3.7745 8.6911 110.4009 44.2755 0.0000 170.9617 110 N 5.5409 8.8555 117.4752 51.1177 42.3180 173.4683 111 E 5.2959 9.4746 122.0795 54.5188 33.2018 174.4010 112 N 5.3093 9.3853 120.6328 51.3856 41.3494 173.6807 113 W 5.3623 9.1773 123.8693 54.9510 32.7598 174.6001 114 E 5.2336 8.5447 122.6132 54.8395 32.3165 174.1604 115 F 5.3843 9.3102 125.7971 55.8558 42.0144 175.5573 116 D 4.8332 8.9517 121.9209 52.1200 41.0354 177.1167 117 E 4.0553 8.6290 117.6086 59.1341 29.5952 178.0951 118 Q 4.1998 8.3310 116.5077 55.8156 29.0952 177.1576 119 G 4.3909 8.2314 106.2736 46.6133 0.0000 173.9487 120 L 5.1030 7.9776 124.7517 53.7713 40.1282 179.4726 *122 A 4.5442 8.5794 129.6230 52.5107 21.2919 176.1321 123 R 4.9285 7.8784 113.4345 54.4791 34.8676 174.8117 124 R 4.7012 8.4101 122.8751 54.5376 33.4354 173.6551 125 F 5.2225 9.1896 125.3921 55.8044 41.5428 174.1165 126 A 5.2864 9.1966 126.4463 50.1272 22.1142 174.3334 127 C 5.1419 8.9672 119.4426 57.9665 31.5450 173.3861 128 I 5.0956 8.3252 122.7912 59.7170 41.0065 174.1819 129 N 5.0846 9.3030 123.2579 51.8186 42.0420 174.3306 130 D 4.8899 8.5434 122.5214 52.3230 43.5452 173.5683 *132 P 4.1911 0.0000 0.0000 62.8700 32.2694 176.4001 133 I 4.7413 7.8923 115.1153 59.2313 41.0502 174.8194 134 K 4.2457 9.6194 122.6504 55.6497 33.0776 178.0685 135 A 3.2928 8.7634 125.9213 55.3804 18.2629 179.6481 136 Q 4.0680 7.7708 110.4137 57.6121 28.8378 176.3282 137 E 4.2345 7.8559 118.0472 56.3488 30.0106 176.7495 138 R 3.8744 7.0983 119.2232 56.4795 30.3651 176.6277 139 K 4.2930 8.9009 121.1407 56.4158 33.7977 176.3804 140 F 5.0785 8.0247 118.4935 56.3113 38.9583 175.0651 141 H 4.7745 8.6787 121.6796 53.8567 30.1311 172.8309 142 W 4.4300 8.0132 118.7513 54.8351 29.7726 172.5115 143 P 4.2850 0.0000 0.0000 62.7657 31.1998 176.1635 144 L 3.8849 8.5701 121.9151 55.0050 42.4053 176.6741 145 G 3.8614 9.0479 111.8537 44.4803 0.0000 172.4724 146 R 3.8837 8.3539 123.9421 56.0903 30.6413 177.1416 147 R 2.5100 8.0145 125.6828 54.7592 30.7497 174.3898 148 P 4.2801 0.0000 0.0000 62.6485 32.1250 176.7522 149 D 4.2948 8.7699 121.0441 57.5175 40.7204 177.6068 150 D 4.6773 7.8309 114.5152 53.1271 39.8813 175.6133 151 H 4.2621 7.7830 120.7780 55.1105 30.2922 173.3000 152 P 4.3049 0.0000 0.0000 63.0689 31.7133 176.5461 153 G 3.9422 8.3269 108.7786 44.5122 0.0000 173.8232 154 L 4.0202 8.6605 119.7762 58.4734 41.9061 178.8884 155 S 4.4747 7.7624 111.3355 59.4604 62.8574 174.3884 156 E 4.5684 8.0098 119.1391 56.3118 29.6952 176.2208 157 L 4.6456 7.6901 117.6922 53.5813 41.9128 176.4129 158 G 4.1292 8.1576 106.2696 46.5187 0.0000 175.8469 159 L 4.0813 8.2285 119.3169 56.1179 42.2342 177.2135 160 E 4.2158 7.5533 124.2829 56.0782 29.5328 175.1340 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 5 A 8.25 4.36 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 6 Q 8.57 4.32 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 7 V 7.56 4.65 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 0.80 0.00 0.00 0.93 0.00 0.00 8 R 9.36 4.56 0.00 1.81 1.73 0.00 3.08 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 9 P 0.00 4.80 0.00 2.10 2.02 0.00 3.81 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 1.97 1.98 0.00 10 P 0.00 4.44 0.00 2.23 2.09 0.00 3.60 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 2.16 2.10 0.00 11 L 7.96 4.64 0.00 1.50 1.45 0.89 1.04 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 12 P 0.00 3.47 0.00 1.94 1.44 0.00 3.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 13 P 0.00 4.44 0.00 2.11 2.07 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 14 F 8.65 4.76 0.00 3.03 2.80 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 15 T 8.60 4.63 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 1.24 0.00 0.00 16 R 8.54 3.05 0.00 2.04 1.96 0.00 3.28 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 17 E 7.99 3.85 0.00 2.03 1.88 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 2.34 2.33 0.00 18 S 8.31 4.42 0.00 4.17 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 19 A 7.90 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.64 3.58 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.87 0.00 0.00 21 E 8.22 3.92 0.00 2.13 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 2.29 2.56 0.00 22 K 8.21 3.80 0.00 1.69 1.72 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.54 1.29 7.81 23 I 7.97 4.11 2.04 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 1.30 0.74 0.95 0.00 0.00 24 R 8.14 3.91 0.00 2.01 1.91 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 25 L 8.27 3.98 0.00 1.86 1.70 0.90 0.90 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 26 A 8.08 4.11 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 27 E 8.65 4.01 0.00 2.19 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 2.37 2.42 0.00 28 D 8.32 4.52 0.00 2.86 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 29 G 8.32 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 0.00 0.00 0.00 30 W 8.86 4.35 0.00 3.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.79 4.99 0.00 3.14 3.16 0.00 0.00 6.63 7.55 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 32 S 7.89 4.26 0.00 3.93 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 33 R 6.83 2.00 0.00 1.24 0.66 0.00 3.35 0.00 0.00 2.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 34 D 6.83 4.55 0.00 2.46 2.38 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 35 P 0.00 4.27 0.00 2.17 2.22 0.00 3.63 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 2.39 0.00 36 E 8.07 3.84 0.00 1.90 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 0.00 2.26 2.40 0.00 37 R 8.74 3.99 0.00 1.81 1.98 0.00 3.11 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 38 V 7.91 3.56 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 0.34 0.00 0.00 0.80 0.00 0.00 39 S 8.35 4.37 0.00 4.05 4.18 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 40 L 7.57 4.15 0.00 1.72 1.77 0.91 0.75 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 41 A 7.95 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.11 4.79 0.00 3.24 3.09 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 43 T 8.36 4.16 4.40 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 1.33 0.00 0.00 44 L 8.69 4.03 0.00 1.74 1.77 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.65 5.27 0.00 2.67 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 46 T 7.83 4.25 4.68 0.00 0.00 0.00 0.00 0.00 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 47 Q 9.19 4.93 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 48 W 9.51 5.08 0.00 2.85 2.80 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 49 R 8.67 4.39 0.00 1.85 1.80 0.00 2.96 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 50 N 8.83 5.05 0.00 2.41 2.08 0.00 0.00 6.82 7.37 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 51 R 8.94 3.62 0.00 1.94 0.97 0.00 3.23 0.00 0.00 3.26 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 52 A 8.83 4.55 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 53 E 7.95 4.83 0.00 1.98 1.73 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 2.17 2.28 0.00 54 F 8.86 5.45 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.98 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.88 4.87 0.00 3.11 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.32 4.77 0.00 3.06 2.84 0.00 0.00 5.82 7.66 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 58 R 8.58 3.69 0.00 2.06 1.93 0.00 3.09 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 59 E 8.02 3.81 0.00 2.01 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 2.31 2.35 0.00 60 E 9.12 3.91 0.00 1.94 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 2.27 2.55 0.00 61 A 7.39 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.03 3.71 0.00 1.69 1.85 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.38 7.81 63 A 7.91 3.90 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 64 F 8.03 3.96 0.00 3.05 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 65 L 7.70 3.15 0.00 1.70 1.43 0.75 -0.10 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 66 T 7.53 3.83 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 1.16 0.00 0.00 67 R 7.60 3.90 0.00 1.76 1.81 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 68 K 7.50 3.17 0.00 0.79 0.80 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.78 7.81 69 W 7.32 4.59 0.00 3.39 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 70 A 7.56 4.40 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 71 K 7.79 4.19 0.00 1.60 1.78 0.00 1.67 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.14 1.42 7.81 72 E 8.12 4.43 0.00 1.77 1.62 0.00 0.00 0.00 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 1.74 0.00 73 L 8.77 4.48 0.00 1.32 1.48 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.70 4.76 0.00 2.89 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 75 Y 8.29 4.78 0.00 3.42 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 76 R 8.97 4.86 0.00 1.71 1.05 0.00 2.78 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.41 0.00 77 L 9.79 5.41 0.00 1.42 1.90 1.21 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.62 4.74 1.66 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.18 0.88 0.00 0.00 79 K 9.34 5.14 0.00 1.63 1.71 0.00 2.03 0.00 0.00 1.88 0.00 0.00 2.58 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.34 7.81 80 E 9.04 4.73 0.00 2.05 1.82 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 2.29 2.30 0.00 81 L 8.69 4.20 0.00 1.66 1.57 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 82 W 9.11 4.81 0.00 3.37 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 83 A 7.83 4.81 1.16 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 0.00 0.00 84 F 8.06 5.44 0.00 3.21 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 85 T 9.62 4.39 4.30 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 1.22 0.00 0.00 86 D 9.24 4.49 0.00 2.97 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 0.00 0.00 0.00 0.00 87 N 9.41 5.21 0.00 3.21 3.09 0.00 0.00 5.77 7.66 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 88 R 8.60 5.59 0.00 2.09 2.02 0.00 3.17 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 89 I 9.00 5.23 2.11 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.03 0.79 0.00 0.00 90 A 9.48 4.87 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 91 V 8.49 4.65 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 -0.41 0.00 0.00 92 R 8.87 5.21 0.00 1.86 1.78 0.00 2.80 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.61 0.00 93 Y 8.78 5.44 0.00 3.16 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 94 A 9.04 5.21 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 95 Y 8.84 5.71 0.00 2.84 2.97 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 96 E 9.38 5.53 0.00 2.08 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 1.97 1.72 0.00 97 W 8.76 5.53 0.00 3.79 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 98 H 8.62 4.86 0.00 2.33 1.31 0.00 5.45 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 99 D 8.64 5.36 0.00 3.11 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 0.00 100 D 8.79 4.51 0.00 2.74 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 0.00 101 S 8.11 4.17 0.00 4.09 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 0.00 102 G 8.62 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 0.00 103 N 8.51 4.65 0.00 2.70 2.39 0.00 0.00 6.95 8.45 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 0.00 104 W 8.32 4.81 0.00 3.24 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 0.00 105 F 8.79 4.97 0.00 1.55 2.58 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 0.00 106 R 8.59 4.89 0.00 1.57 1.60 0.00 2.90 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.23 0.00 107 S 9.00 4.91 0.00 2.72 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 0.00 108 Y 8.98 4.79 0.00 2.82 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 0.00 109 G 8.69 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 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6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 137 E 7.86 4.23 0.00 1.97 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 2.21 2.17 0.00 138 R 7.10 3.87 0.00 1.34 1.57 0.00 2.21 0.00 0.00 2.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.93 0.00 139 K 8.90 4.29 0.00 1.26 1.89 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 140 F 8.02 5.08 0.00 2.78 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 0.00 141 H 8.68 4.77 0.00 3.28 3.27 0.00 5.58 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 0.00 142 W 8.01 4.43 0.00 3.32 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 0.00 143 P 0.00 4.28 0.00 2.20 2.15 0.00 3.96 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 2.13 2.22 0.00 144 L 8.57 3.88 0.00 1.68 1.73 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 145 G 9.05 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 0.00 0.00 0.00 146 R 8.35 3.88 0.00 1.77 1.83 0.00 3.22 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 147 R 8.01 2.51 0.00 0.67 1.33 0.00 2.83 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 148 P 0.00 4.28 0.00 2.15 1.93 0.00 3.17 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 149 D 8.77 4.29 0.00 2.61 2.71 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 0.00 0.00 0.00 0.00 150 D 7.83 4.68 0.00 2.77 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 0.00 151 H 7.78 4.26 0.00 3.05 3.02 0.00 5.77 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.30 0.00 2.27 2.08 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 153 G 8.33 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 0.00 154 L 8.66 4.02 0.00 1.81 1.96 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.76 4.47 0.00 4.15 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 0.00 156 E 8.01 4.57 0.00 2.14 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 2.30 2.43 0.00 157 L 7.69 4.65 0.00 1.94 1.81 1.40 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.16 4.13 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 0.00 0.00 0.00 159 L 8.23 4.08 0.00 1.80 1.98 1.22 1.00 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 0.00 160 E 7.55 4.22 0.00 1.91 1.82 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 2.24 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.