NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1460 8.2644 123.5853 51.8718 18.8878 174.2482 *2 I 3.9004 7.7036 118.9740 60.3691 39.2023 175.1156 3 K 4.2828 8.6878 127.3427 55.6905 32.9089 177.2744 4 R 4.1305 8.5463 122.9157 55.5255 30.8556 175.6465 5 P 4.4579 0.0000 0.0000 66.0821 31.8030 177.7626 6 I 3.6905 7.9894 119.8992 65.0455 38.2285 178.7089 *7 H 4.1545 7.9901 113.7882 55.0809 27.3506 178.9043 *9 S 4.5729 8.1755 117.3697 59.7091 64.8983 175.7255 10 H 4.3611 8.3029 118.2148 58.8114 28.3153 177.6114 11 D 4.4686 8.3393 120.7200 57.1228 40.4311 178.3270 12 F 4.2777 8.3599 119.8956 61.4915 39.6199 176.8727 13 L 4.0201 8.3324 117.9764 57.9125 41.5705 179.1002 14 A 4.0075 8.3890 120.8764 55.4874 17.9914 179.1250 15 E 3.9634 8.1970 116.6720 58.6029 29.6236 177.9823 16 V 4.2546 7.3495 109.1248 60.7928 32.3988 175.4451 17 L 4.5315 7.5350 120.5463 53.8427 42.9968 175.3936 18 D 4.6517 8.2703 119.6588 52.3255 42.2494 175.4264 19 D 4.5161 8.5759 117.2286 55.1319 39.4049 176.4949 20 E 4.3938 8.4145 118.9889 56.6937 30.3185 176.2141 21 S 4.4903 7.9716 117.0674 58.2294 64.4626 173.1805 22 I 4.8211 8.3545 124.6766 60.1560 38.9416 174.7265 23 V 4.9340 8.9275 126.6960 61.0482 34.9405 174.1126 24 V 4.9019 9.0403 127.3060 61.3282 34.0188 173.7168 25 D 5.1958 9.6778 128.7450 52.5442 41.5375 176.3037 26 A 4.2024 8.7242 129.2096 54.0120 18.8609 177.3673 27 T 4.5859 7.5973 104.2445 59.8326 72.6488 175.3439 *29 G 3.9873 7.9307 110.3592 45.6152 0.0000 175.4160 30 N 4.2304 8.8347 122.7043 53.5445 37.5764 175.7395 31 G 4.0172 7.8606 108.2839 45.5705 0.0000 175.0903 32 N 4.3513 8.4119 118.6762 56.5056 38.4070 177.0523 33 D 4.5306 8.0860 119.6352 57.4921 41.0661 178.7844 34 T 3.8621 7.9348 115.5767 66.6043 68.3356 176.1625 35 A 4.0092 8.1251 121.7051 55.2004 17.3535 179.2922 36 F 4.2771 8.0089 118.8960 61.6562 39.5369 177.5318 37 L 3.9596 8.3974 118.6985 57.0669 41.3954 178.9754 38 A 4.0038 8.3649 121.6963 55.5020 18.0720 179.7398 39 G 3.7026 7.0698 102.3225 47.2442 0.0000 174.0248 40 L 4.4513 7.5463 117.9964 54.3183 42.5270 175.5982 41 S 4.9632 7.8281 112.4855 55.9349 66.4116 174.1010 42 K 4.1611 8.7021 121.7726 59.2549 32.2409 176.9443 43 K 4.6942 7.6889 118.5409 55.2439 35.8148 174.0074 44 V 4.8248 8.3366 126.2703 61.3535 34.4223 173.6118 45 Y 4.8507 9.2103 125.9974 56.7337 39.7009 174.3418 46 A 5.3054 8.9411 126.3892 50.0736 22.0886 174.7654 47 F 5.2480 9.1106 120.8462 55.8615 41.9312 174.4691 48 D 4.7140 8.6309 120.3750 53.5214 44.6899 176.1921 49 V 4.0182 8.5412 116.0058 61.9401 32.4116 175.9524 50 Q 4.5570 8.1904 123.1399 54.3999 30.6922 176.5274 51 E 3.9722 9.1307 123.1824 61.5741 29.5732 176.0181 52 Q 4.1906 8.0911 117.9397 58.9480 28.4974 178.3680 53 A 3.9444 7.8342 122.2850 54.8452 18.3661 179.5043 54 L 3.9664 7.9033 117.0202 58.0316 41.7310 179.8222 55 G 3.7084 8.2514 107.9497 48.2604 0.0000 176.4705 56 K 3.9746 8.2071 125.9930 59.9497 31.8527 181.3199 57 T 4.0420 8.1050 117.6400 66.7888 68.3871 176.3114 58 S 4.0133 8.4331 117.0782 61.7689 62.7735 176.2925 59 Q 3.9051 8.0110 121.2640 59.6580 28.7957 179.5383 60 R 3.9009 7.9167 118.4480 59.4038 30.1090 178.9932 61 L 3.9471 8.3340 118.8806 57.8378 41.6090 179.4435 62 S 4.0551 8.5501 113.2854 61.7885 62.0901 176.1475 63 D 4.3770 8.2370 120.2315 56.8801 40.6170 177.8491 64 L 4.3912 7.9033 117.1259 54.2084 41.9494 177.5739 65 G 3.8543 7.8526 107.0835 45.8675 0.0000 173.5345 66 I 4.0751 7.8293 121.1895 60.5644 37.3707 175.6665 67 E 4.6084 8.6879 123.1092 55.8078 31.6287 175.4995 68 N 4.9996 7.8051 118.0159 53.2170 37.3238 174.4933 69 T 4.9908 7.7018 107.2539 60.7984 72.8051 173.5315 70 E 4.3865 9.1663 123.9980 54.4913 32.1358 174.4514 71 L 4.7739 8.3494 127.6541 53.5628 43.2896 176.2593 72 I 4.0923 8.4440 125.1780 59.2980 40.1694 174.9781 73 L 4.7035 8.3050 129.7570 52.9078 40.7731 174.4856 74 D 4.5596 7.9165 121.8164 52.7046 44.8021 174.7585 75 G 3.8096 8.7496 110.8824 44.8152 0.0000 174.6386 76 H 3.5938 8.4134 119.4196 57.5322 28.7107 177.2505 77 E 4.0200 8.2031 118.2270 58.7200 29.7883 177.5071 78 N 4.8928 8.1190 117.1694 52.8227 39.0246 176.8766 79 L 3.9860 7.7106 122.7532 58.8061 40.3246 178.9243 80 D 4.4431 8.0639 117.1264 55.5499 39.3015 176.5964 81 H 4.4902 7.9812 115.6910 56.8555 29.2010 175.3987 82 Y 4.4857 8.1578 115.8865 57.9453 39.5469 175.7244 83 V 3.5627 7.5717 118.8660 61.2211 30.7790 175.0423 84 R 4.2996 8.0316 124.4612 56.3572 30.6821 177.0207 85 E 4.5744 7.7106 117.1526 53.9937 31.1658 174.1495 86 P 4.4075 0.0000 0.0000 62.9486 32.1153 175.9122 87 I 4.4080 8.3832 122.2822 60.0986 38.8036 176.5601 88 R 4.0788 9.1647 128.2676 58.6918 31.2519 176.0224 89 A 5.4100 7.8867 118.7776 50.3236 22.8510 174.6799 90 A 5.3324 9.4903 122.0817 50.4194 23.6158 174.9025 91 I 5.1911 8.7872 118.9074 59.3038 41.9477 173.8729 92 F 4.7897 9.4896 130.9232 56.5502 42.3913 173.1006 93 N 5.1350 9.0194 125.1057 52.0593 39.4324 174.5945 94 L 4.3673 8.7801 124.9937 54.4764 43.5119 174.5932 95 G 4.0074 8.8775 116.6781 46.4922 0.0000 172.8821 *107 K 4.1327 7.6601 126.7798 56.1308 34.6272 174.5534 108 P 4.4688 0.0000 0.0000 65.0529 31.3765 178.6109 109 H 4.1446 8.3019 113.8220 59.0462 28.3447 177.6498 110 T 3.8403 7.3695 112.0515 64.4987 68.7376 176.5135 111 T 3.8780 7.7270 118.1268 66.4264 68.5100 176.4162 112 L 3.5757 7.8560 120.7579 57.7199 41.6434 179.0937 113 E 3.8066 8.1370 118.8826 59.3795 29.5820 178.8534 114 A 3.9812 8.0295 120.6446 55.0361 18.3625 179.7917 115 I 3.5533 7.4616 118.3839 64.2892 37.0825 178.1562 116 E 3.9088 7.9204 120.1372 59.3836 29.2517 178.9500 117 K 3.9220 7.8352 117.0033 59.4925 32.4384 179.2308 118 I 3.8800 7.6833 119.6315 64.3380 37.1474 178.0795 119 L 4.0738 8.1723 120.0955 58.4025 41.3345 179.2201 120 D 4.5490 8.1297 117.1859 57.4433 41.1488 178.6586 121 R 4.4041 7.8230 115.5591 55.3793 30.6758 176.2831 122 L 4.7503 7.4156 119.7149 54.5999 42.4049 177.1517 123 E 4.2564 9.1040 122.2667 55.9334 30.9896 176.5564 124 V 3.6857 8.1905 122.0817 64.6680 31.5320 176.4372 125 G 3.9862 9.7801 117.7849 45.1722 0.0000 173.9887 126 G 3.9145 7.9583 107.3168 46.3888 0.0000 172.9926 127 R 5.3708 8.8716 119.4567 54.0060 34.2521 174.1909 128 L 5.4010 9.1279 124.5456 53.2827 44.7599 175.1743 129 A 4.9784 9.2909 128.4773 50.6854 21.3214 175.9272 130 I 5.2247 8.7334 123.7581 58.6551 41.4628 174.3466 *132 I 4.0144 8.0015 121.6577 62.0148 37.7687 176.2617 133 Y 4.1253 8.6963 123.5415 58.4635 39.2646 176.2888 *140 D 4.3939 7.7288 118.0689 54.0216 42.1480 175.3576 *142 E 4.1668 8.8631 116.2602 56.8695 31.6430 179.4205 143 K 4.1001 7.5036 123.6365 59.8511 31.6818 180.6833 144 D 4.5921 8.2386 119.7756 57.2270 40.7297 178.7940 145 A 4.0354 7.9171 120.9130 55.0056 18.5075 179.6712 146 V 3.5128 7.8455 116.8540 66.0300 31.5585 178.0239 147 L 4.0206 7.9079 119.8950 58.3151 41.9429 178.8670 148 E 3.9754 8.4027 118.5852 59.2637 29.1306 178.4787 149 Y 4.0583 7.9307 118.9666 60.8414 39.1910 178.3407 150 V 3.5154 7.8848 118.9190 66.0197 31.4514 177.9672 151 I 3.7900 7.7608 118.6624 64.4032 36.9907 178.4365 152 G 3.5897 7.9641 105.4951 46.2686 0.0000 174.2413 153 L 3.8813 6.7635 120.4427 54.5515 42.3011 176.5303 154 D 4.3717 8.7356 122.0573 54.4893 41.2780 177.1037 155 Q 4.5089 8.5623 124.4041 58.0070 28.9240 177.3805 156 R 4.1211 7.9273 116.6704 57.7469 30.8430 177.0017 157 V 4.0318 8.0903 117.6809 63.4682 33.7587 175.4648 158 F 5.4650 8.0081 117.5343 55.9168 42.8500 174.2668 159 T 4.7701 8.8465 118.7858 62.1784 70.1715 173.8839 160 A 4.9189 8.4962 126.8990 49.7778 22.6469 174.8079 *162 L 4.2186 8.2348 119.9147 55.2401 43.3074 175.4442 163 Y 4.7782 9.1541 126.7932 55.9802 41.5366 173.6393 164 Q 4.6905 8.0727 127.0729 53.5967 32.2959 172.8675 165 P 4.3002 0.0000 0.0000 62.6161 32.2925 175.9902 166 L 4.3521 8.4556 121.6415 56.1957 42.6840 177.6573 167 N 4.8838 7.9166 112.7902 52.4622 37.6181 173.9020 168 Q 4.4188 7.7960 117.5963 55.4445 30.0425 175.8971 169 I 3.7762 8.5453 126.8374 65.0702 37.5018 177.0965 170 N 4.4199 7.9333 116.5727 51.8512 37.8904 176.5457 171 T 3.9366 8.5191 114.0808 60.4702 68.6321 172.3594 172 P 4.6909 0.0000 0.0000 60.1655 33.2892 173.6306 173 P 4.2588 0.0000 0.0000 62.4727 31.5237 175.5727 174 F 5.0475 7.7125 115.3315 54.9860 41.4636 173.5686 175 L 4.8856 9.1222 120.9763 53.4212 44.9814 175.6875 176 V 4.5753 8.8826 125.6326 61.0521 35.1442 173.7467 *178 L 4.7692 8.1231 120.0384 54.6483 43.3530 175.8668 179 E 5.1979 9.0922 123.8864 54.1936 33.0419 174.3699 180 K 4.3010 9.1606 128.9718 56.3803 32.7261 177.1907 181 L 4.0849 8.8483 128.5823 56.6446 42.8108 177.0644 182 Q 4.0182 7.4369 120.1682 56.4552 28.3218 174.0443 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 A 8.26 4.15 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 *2 I 7.70 3.90 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 0.93 0.00 0.00 3 K 8.69 4.28 0.00 1.86 1.81 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.48 7.81 4 R 8.55 4.13 0.00 1.87 1.84 0.00 3.15 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 5 P 0.00 4.46 0.00 1.96 2.15 0.00 3.64 0.00 0.00 3.52 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 6 I 7.99 3.69 1.83 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 0.97 1.17 0.87 0.00 0.00 *7 H 7.99 4.15 0.00 2.91 3.02 0.00 7.29 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 S 8.18 4.57 0.00 4.10 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 10 H 8.30 4.36 0.00 3.17 2.70 0.00 5.81 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 11 D 8.34 4.47 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 12 F 8.36 4.28 0.00 2.89 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.33 4.02 0.00 2.07 1.79 1.15 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.39 4.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 3.96 0.00 2.11 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 2.29 2.36 0.00 16 V 7.35 4.25 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 0.63 0.00 0.00 0.88 0.00 0.00 17 L 7.53 4.53 0.00 1.74 1.69 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.27 4.65 0.00 2.85 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 19 D 8.58 4.52 0.00 2.76 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 20 E 8.41 4.39 0.00 2.11 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 2.28 2.41 0.00 21 S 7.97 4.49 0.00 3.91 3.78 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 22 I 8.35 4.82 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 1.19 0.00 0.00 23 V 8.93 4.93 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 1.18 0.00 0.00 0.96 0.00 0.00 24 V 9.04 4.90 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 1.06 0.00 0.00 1.07 0.00 0.00 25 D 9.68 5.20 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.72 4.20 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.60 4.59 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 0.62 0.00 0.00 *29 G 7.93 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 30 N 8.83 4.23 0.00 2.81 2.93 0.00 0.00 6.16 7.00 0.00 0.00 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 7.86 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 32 N 8.41 4.35 0.00 2.82 2.94 0.00 0.00 7.02 9.28 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 33 D 8.09 4.53 0.00 2.92 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 34 T 7.93 3.86 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 1.19 0.00 0.00 35 A 8.13 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.01 4.28 0.00 3.02 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 37 L 8.40 3.96 0.00 1.72 1.67 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.36 4.00 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 39 G 7.07 3.70 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 0.00 0.00 0.00 40 L 7.55 4.45 0.00 1.52 1.54 0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.83 4.96 0.00 4.14 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 42 K 8.70 4.16 0.00 1.92 2.09 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.37 7.81 43 K 7.69 4.69 0.00 1.74 1.49 0.00 1.51 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.96 1.15 7.81 44 V 8.34 4.82 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 0.96 0.00 0.00 0.93 0.00 0.00 45 Y 9.21 4.85 0.00 3.00 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 46 A 8.94 5.31 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 47 F 9.11 5.25 0.00 2.96 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 48 D 8.63 4.71 0.00 2.70 2.41 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 49 V 8.54 4.02 2.06 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 0.73 0.00 0.00 0.90 0.00 0.00 50 Q 8.19 4.56 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 51 E 9.13 3.97 0.00 1.97 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 2.33 1.97 0.00 52 Q 8.09 4.19 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 53 A 7.83 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.90 3.97 0.00 1.91 1.69 0.85 0.84 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 55 G 8.25 3.71 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 0.00 0.00 0.00 56 K 8.21 3.97 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 57 T 8.10 4.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 58 S 8.43 4.01 0.00 3.96 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 59 Q 8.01 3.91 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 60 R 7.92 3.90 0.00 2.18 1.96 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 61 L 8.33 3.95 0.00 1.73 1.85 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.55 4.06 0.00 3.86 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 63 D 8.24 4.38 0.00 2.86 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 64 L 7.90 4.39 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.85 -0.01 0.00 0.00 73 L 8.30 4.70 0.00 1.58 1.57 0.92 1.22 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 74 D 7.92 4.56 0.00 2.71 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 75 G 8.75 3.81 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 0.00 76 H 8.41 3.59 0.00 3.06 3.42 0.00 5.48 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.20 4.02 0.00 2.27 2.42 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 2.35 2.27 0.00 78 N 8.12 4.89 0.00 3.00 2.67 0.00 0.00 6.57 6.04 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 79 L 7.71 3.99 0.00 1.57 1.29 0.89 0.92 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 80 D 8.06 4.44 0.00 2.82 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 81 H 7.98 4.49 0.00 2.53 3.06 0.00 5.63 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 82 Y 8.16 4.49 0.00 3.04 3.04 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 83 V 7.57 3.56 1.94 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 0.60 0.00 0.00 0.41 0.00 0.00 84 R 8.03 4.30 0.00 2.00 1.96 0.00 3.23 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 85 E 7.71 4.57 0.00 2.03 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 0.00 2.35 2.45 0.00 86 P 0.00 4.41 0.00 2.07 2.01 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 87 I 8.38 4.41 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 1.07 0.00 0.00 88 R 9.16 4.08 0.00 2.10 2.07 0.00 3.24 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 89 A 7.89 5.41 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 9.49 5.33 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 91 I 8.79 5.19 2.01 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 1.21 1.73 1.05 0.00 0.00 92 F 9.49 4.79 0.00 3.16 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 93 N 9.02 5.13 0.00 2.57 2.78 0.00 0.00 7.06 7.47 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 94 L 8.78 4.37 0.00 1.72 1.65 0.81 0.89 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 95 G 8.88 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 0.00 0.00 0.00 *107 K 7.66 4.13 0.00 1.80 1.75 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.11 7.81 108 P 0.00 4.47 0.00 2.16 2.12 0.00 3.62 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 2.15 0.00 109 H 8.30 4.14 0.00 3.33 3.54 0.00 5.46 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 0.00 110 T 7.37 3.84 4.38 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 1.00 0.00 0.00 111 T 7.73 3.88 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 0.77 0.00 0.00 112 L 7.86 3.58 0.00 1.66 1.46 0.72 0.78 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 0.00 113 E 8.14 3.81 0.00 2.17 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 2.28 2.32 0.00 114 A 8.03 3.98 1.47 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 0.00 115 I 7.46 3.55 1.47 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 1.07 0.12 0.76 0.00 0.00 116 E 7.92 3.91 0.00 1.83 1.83 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 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.88 3.52 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 0.95 0.00 0.00 1.04 0.00 0.00 151 I 7.76 3.79 1.91 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 1.44 0.70 0.89 0.00 0.00 152 G 7.96 3.59 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 0.00 153 L 6.76 3.88 0.00 1.70 1.70 0.59 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.74 4.37 0.00 2.69 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 0.00 155 Q 8.56 4.51 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 156 R 7.93 4.12 0.00 1.80 2.00 0.00 3.11 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 157 V 8.09 4.03 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 0.50 0.00 0.00 0.87 0.00 0.00 158 F 8.01 5.46 0.00 2.99 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 0.00 159 T 8.85 4.77 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 1.27 0.00 0.00 160 A 8.50 4.92 1.20 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 *162 L 8.23 4.22 0.00 1.67 1.61 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 9.15 4.78 0.00 2.95 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 0.00 164 Q 8.07 4.69 0.00 1.85 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.74 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 165 P 0.00 4.30 0.00 2.00 1.86 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 166 L 8.46 4.35 0.00 1.56 1.65 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 167 N 7.92 4.88 0.00 2.78 2.84 0.00 0.00 5.99 7.39 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 0.00 168 Q 7.80 4.42 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 7.10 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 169 I 8.55 3.78 1.87 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 1.27 0.46 0.91 0.00 0.00 170 N 7.93 4.42 0.00 2.74 2.62 0.00 0.00 6.67 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 0.00 171 T 8.52 3.94 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 172 P 0.00 4.69 0.00 2.14 2.08 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 173 P 0.00 4.26 0.00 1.57 0.70 0.00 3.49 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 1.68 1.56 0.00 174 F 7.71 5.05 0.00 3.07 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 0.00 175 L 9.12 4.89 0.00 1.77 1.79 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.88 4.58 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 0.94 0.00 0.00 1.08 0.00 0.00 *178 L 8.12 4.77 0.00 1.90 1.70 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 179 E 9.09 5.20 0.00 2.23 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 2.24 2.24 0.00 180 K 9.16 4.30 0.00 2.06 1.85 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.21 0.79 7.81 181 L 8.85 4.08 0.00 1.54 1.65 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 7.44 4.02 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.