NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 P 4.3855 0.0000 0.0000 62.2457 33.1223 178.2241 33 A 4.1156 7.9464 119.8914 53.4718 19.1091 177.3381 *34 Y 4.1039 8.1691 115.4988 59.3445 38.1456 181.2899 35 E 4.7323 7.8047 111.8744 56.3791 30.3124 181.0708 36 E 4.5373 7.9281 118.1423 56.5585 30.9228 176.3471 37 A 4.8601 8.3374 125.8049 51.6006 19.6336 175.3098 38 E 5.1240 8.4436 121.1439 55.4149 32.6729 176.9860 39 I 4.1998 6.6387 123.6199 60.9581 37.4769 175.7965 40 T 4.4035 8.3952 116.3588 61.5945 70.5748 174.2821 41 K 4.4711 7.2437 121.5287 55.3822 35.7344 173.8702 42 V 4.3919 8.9659 127.0894 61.0009 33.7031 174.7146 43 G 3.8154 8.5028 114.0445 44.2436 0.0000 170.7705 44 A 5.2634 8.0251 119.6452 49.9076 22.6245 174.6316 45 Y 5.1919 7.7251 116.4605 56.0190 41.7146 173.5724 46 H 4.8859 9.4888 120.0141 54.6536 32.5333 172.3929 47 R 5.2238 8.6000 124.8513 55.0865 32.1519 175.6956 48 F 4.8315 8.0968 115.2714 55.7289 41.6519 172.9545 49 Y 4.5812 8.5623 119.4042 58.3138 37.5662 176.7204 50 S 4.3312 8.8496 119.7760 59.7138 63.5240 175.5742 51 G 4.0223 8.5798 108.6258 44.9659 0.0000 172.8296 52 D 4.8762 7.9822 119.7544 53.3948 42.7785 175.6013 53 K 5.0482 8.3028 119.4894 54.3462 35.5615 175.4999 54 D 4.3945 9.2625 123.9718 54.3027 41.6035 176.4196 55 A 3.9495 9.2237 132.2061 56.2884 18.6346 179.1824 56 I 3.8820 7.8853 111.6516 63.1794 35.6007 179.3198 57 T 4.1594 7.9030 109.1482 61.4448 69.2312 176.1485 58 G 3.9319 8.4641 109.8306 45.3177 0.0000 173.4786 59 E 4.2670 7.8024 119.4308 55.8588 30.6801 176.3698 60 N 4.8959 8.7660 120.3764 53.7135 39.8027 174.3616 61 I 4.2930 8.7236 123.6514 60.1275 39.1767 174.7902 62 V 4.4397 8.2266 126.5708 60.9295 33.1069 174.7616 63 A 4.1992 7.9223 130.2895 51.0955 20.2771 175.4134 64 E 4.9104 8.4258 121.0154 54.1724 32.3855 174.8428 65 K 4.3672 9.0149 129.0837 54.3455 34.0870 174.6460 66 E 4.4822 8.6331 129.4155 56.1213 30.2689 176.2402 67 L 4.4046 8.6423 127.2255 54.1886 42.8466 176.7355 68 D 4.7844 8.5932 121.9162 54.7417 41.9872 175.6396 69 R 5.3173 8.4246 116.8714 55.0104 32.9174 174.1107 70 T 4.7234 8.6000 110.1248 60.0273 72.0780 172.4292 71 N 5.3590 8.6328 119.6384 51.5995 42.3210 173.9911 72 N 4.7636 9.3570 120.0383 52.1489 41.6202 172.7049 73 I 4.5729 8.3449 126.9930 59.7984 39.1029 175.3735 74 D 4.7912 9.5773 128.8493 52.1071 41.4750 176.3128 75 S 3.9553 8.7531 119.7415 60.7606 62.8453 176.2222 76 E 3.9807 8.0890 116.1847 58.5261 29.4719 176.8490 77 H 4.6975 7.9590 114.5047 54.8974 29.7233 174.3753 78 G 3.3578 7.8799 108.3481 45.9604 0.0000 173.4480 79 V 5.2396 7.8416 117.8224 59.5120 35.2047 174.0285 80 A 5.3184 9.6662 125.6779 50.4498 21.7598 174.9425 81 T 5.2302 9.0385 112.7715 59.9810 72.3628 173.1485 82 A 4.8381 8.6069 123.9761 50.0950 23.1931 174.9339 83 V 4.3515 7.9944 120.5238 61.0940 33.9884 174.4310 84 F 5.5308 8.8746 127.2202 56.3054 41.6387 174.8910 85 T 5.1537 8.8160 119.3010 61.6947 71.5089 173.4205 86 I 4.3276 8.8323 128.3042 60.3082 37.5364 174.6923 87 P 4.4507 0.0000 0.0000 61.8012 32.0045 176.0327 88 A 4.1553 8.4030 122.3292 51.9945 18.8471 177.6788 89 A 4.2993 8.6329 123.5025 52.0405 19.3991 177.7427 90 G 4.2678 9.5576 111.9906 46.3999 0.0000 174.0255 91 G 3.8421 8.4992 109.4707 46.7668 0.0000 175.8608 92 K 4.3087 8.8671 121.7466 57.9114 32.9519 177.5914 93 F 4.4803 8.2080 123.8422 57.1820 37.7266 174.4880 94 T 4.3534 7.2778 116.3970 60.5182 71.5148 175.0770 95 E 3.7762 8.4554 120.7832 59.0776 29.3409 178.3317 96 A 3.8962 7.7625 119.7680 55.1000 18.7380 178.7850 97 E 3.7564 7.6840 117.3965 59.2207 29.7697 178.7685 98 R 3.2914 7.6903 118.7896 59.2525 29.7493 178.1435 99 A 4.0614 7.6721 118.9578 54.1788 18.4042 178.9007 100 K 4.1859 7.5415 115.7147 56.5778 32.5798 177.2888 101 V 3.8018 6.9989 119.9893 62.3848 32.1542 175.1109 102 S 4.6970 8.3006 120.2122 56.2784 65.6564 174.2426 103 L 4.1599 8.6846 127.5830 58.2905 42.1339 179.1955 104 S 4.5180 8.2510 114.3531 60.7659 63.3286 173.5479 105 N 5.2966 7.9135 119.1795 52.4354 37.8405 173.8391 106 L 4.6480 8.6187 121.5447 53.6714 45.2325 175.8255 107 V 4.5898 8.0296 125.2088 61.0683 32.8080 174.4653 108 V 4.6361 8.4302 128.0170 61.2395 34.4707 173.6711 109 Y 5.1539 8.7394 123.7141 55.5838 41.9646 173.9350 110 V 4.5489 7.8838 111.6330 59.6068 35.9429 174.6094 111 N 5.0606 8.4770 118.7733 51.7991 41.5270 174.4144 112 V 4.8094 7.9284 113.6857 59.1080 36.2647 175.2582 113 S 4.2978 8.5117 117.2836 58.8506 64.0192 174.8519 114 T 3.8141 8.4979 118.0872 65.5842 68.4182 174.1807 115 A 3.6755 8.8474 126.9552 52.5021 16.2983 177.0626 116 A 4.5160 8.0463 121.3408 53.0015 19.4168 178.5389 117 R 4.7748 8.4459 118.1296 55.0267 34.0829 175.2349 118 V 4.8882 8.5647 121.4522 61.1634 34.0411 174.7950 119 T 4.8181 9.0463 124.1974 60.9319 71.5942 171.8269 120 P 4.2937 0.0000 0.0000 62.5023 32.4341 175.9986 121 L 4.1953 8.6814 126.8791 55.6339 42.8371 176.6774 122 D 4.3716 8.1045 121.2994 53.4070 40.0614 171.9071 123 G 4.2527 9.0072 114.9298 45.3314 0.0000 174.6407 124 S 3.8718 7.4099 114.8542 57.1404 63.2519 172.5390 125 P 4.4022 0.0000 0.0000 61.9055 32.0455 176.3519 126 K 4.2339 8.1615 118.5292 56.1943 32.6741 177.2878 127 F 4.7025 8.3400 120.0915 58.9046 39.4838 176.2162 128 G 4.1277 9.6798 112.4426 45.5761 0.0000 173.4889 129 V 4.6612 7.2993 111.5080 58.3668 36.2356 173.1055 130 P 4.8145 0.0000 0.0000 62.8519 31.7923 175.6716 131 A 4.7210 9.1934 125.3424 50.0283 23.5663 174.5885 132 D 4.9217 8.4831 118.8051 53.0516 41.0390 175.4733 133 W 4.9392 9.2350 127.0176 56.7580 30.2687 178.1040 134 T 4.1929 8.5829 109.3797 62.7607 68.5548 174.3808 135 R 4.7309 7.2579 120.3628 54.0944 34.1298 174.6452 136 E 4.6059 8.5001 117.8481 57.0266 30.7253 175.6091 137 H 5.0355 9.4494 117.0877 54.2271 33.7420 172.4563 138 K 5.3873 8.3254 119.0718 55.1846 35.2337 175.0151 139 Y 5.0989 9.2314 119.6063 56.4732 43.0755 174.0369 140 S 5.1950 9.5837 117.3886 57.0977 64.7286 173.7924 141 V 4.7851 9.0588 128.2686 60.7298 34.5987 173.9406 *143 A 4.5722 8.2839 121.1071 51.5446 19.6219 177.6586 144 A 4.1223 8.7896 120.6070 54.9690 18.6972 178.5822 145 D 4.4899 8.1009 112.1717 53.6943 39.8277 177.2755 146 G 4.0185 8.1826 109.6728 45.6657 0.0000 174.3985 147 T 4.2431 7.7298 109.1292 61.3862 69.5856 173.3652 148 K 5.0961 8.1625 120.5372 54.8790 36.7643 175.5123 149 K 4.5944 8.9682 121.4985 55.2858 35.8446 174.7681 150 I 4.7627 8.3661 128.1750 60.4822 38.3397 175.0685 151 W 4.9485 9.5660 126.8219 55.2399 32.4338 174.6574 152 T 5.0294 9.4445 121.2983 62.4750 70.0709 173.8100 153 V 5.1263 9.7444 126.6962 61.0944 34.4019 174.0788 154 K 5.1561 9.1181 128.7327 54.8640 35.2052 175.1962 155 V 5.1524 8.7517 119.0871 59.9442 35.9118 174.3609 156 T 4.8919 8.4201 111.7290 60.1704 72.9213 172.2752 157 L 5.3338 8.4077 122.6050 53.6537 45.1913 174.8785 158 N 5.3480 9.6462 123.1250 51.3219 42.8228 174.9132 159 K 4.1803 8.3484 119.2526 57.3094 32.8193 176.0435 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 32 P 0.00 4.39 0.00 2.01 2.12 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 33 A 7.95 4.12 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 *34 Y 8.17 4.10 0.00 2.25 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 0.00 0.00 0.00 35 E 7.80 4.73 0.00 1.96 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 0.00 2.20 2.14 0.00 36 E 7.93 4.54 0.00 1.98 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 2.31 2.47 0.00 37 A 8.34 4.86 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 38 E 8.44 5.12 0.00 1.93 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 2.38 2.52 0.00 39 I 6.64 4.20 0.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.48 0.00 0.00 40 T 8.40 4.40 4.16 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 1.14 0.00 0.00 41 K 7.24 4.47 0.00 1.70 1.48 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.29 7.81 42 V 8.97 4.39 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 0.62 0.00 0.00 0.69 0.00 0.00 43 G 8.50 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 44 A 8.03 5.26 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.73 5.19 0.00 3.00 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 46 H 9.49 4.89 0.00 3.24 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.60 5.22 0.00 1.78 1.74 0.00 3.39 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 48 F 8.10 4.83 0.00 3.12 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 49 Y 8.56 4.58 0.00 3.04 3.01 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 50 S 8.85 4.33 0.00 4.04 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 51 G 8.58 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 52 D 7.98 4.88 0.00 2.65 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 53 K 8.30 5.05 0.00 1.60 1.68 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.39 7.81 54 D 9.26 4.39 0.00 2.75 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 55 A 9.22 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.89 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.91 0.00 0.00 57 T 7.90 4.16 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 1.25 0.00 0.00 58 G 8.46 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 0.00 0.00 0.00 59 E 7.80 4.27 0.00 1.98 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 2.33 2.29 0.00 60 N 8.77 4.90 0.00 2.77 2.99 0.00 0.00 6.94 7.45 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 61 I 8.72 4.29 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 0.85 0.00 0.00 62 V 8.23 4.44 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 0.52 0.00 0.00 0.42 0.00 0.00 63 A 7.92 4.20 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.91 0.00 1.78 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.19 0.00 65 K 9.01 4.37 0.00 1.71 1.41 0.00 1.36 0.00 0.00 1.17 0.00 0.00 2.67 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.96 7.81 66 E 8.63 4.48 0.00 1.98 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 2.32 2.45 0.00 67 L 8.64 4.40 0.00 1.42 1.74 0.76 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.59 4.78 0.00 2.80 2.62 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 0.00 0.00 0.00 69 R 8.42 5.32 0.00 1.75 2.15 0.00 3.03 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 70 T 8.60 4.72 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 1.17 0.00 0.00 71 N 8.63 5.36 0.00 2.50 2.63 0.00 0.00 6.65 8.00 0.00 0.00 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 N 9.36 4.76 0.00 2.71 2.63 0.00 0.00 7.20 7.79 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 73 I 8.34 4.57 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.97 0.00 0.00 74 D 9.58 4.79 0.00 2.79 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 75 S 8.75 3.96 0.00 4.24 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 76 E 8.09 3.98 0.00 2.00 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 2.24 1.85 0.00 77 H 7.96 4.70 0.00 3.24 3.30 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.88 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 5.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.11 0.00 0.00 80 A 9.67 5.32 1.23 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 0.00 0.00 0.00 81 T 9.04 5.23 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 1.26 0.00 0.00 82 A 8.61 4.84 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 83 V 7.99 4.35 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 0.91 0.00 0.00 0.84 0.00 0.00 84 F 8.87 5.53 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.82 5.15 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 1.25 0.00 0.00 86 I 8.83 4.33 1.96 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 1.30 0.73 1.13 0.00 0.00 87 P 0.00 4.45 0.00 2.04 2.01 0.00 3.64 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 1.99 2.07 0.00 88 A 8.40 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.63 4.30 1.21 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 0.00 0.00 90 G 9.56 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 0.00 0.00 0.00 0.00 91 G 8.50 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.87 4.31 0.00 1.99 2.19 0.00 2.02 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.43 7.81 93 F 8.21 4.48 0.00 3.24 3.22 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 94 T 7.28 4.35 4.16 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 1.27 0.00 0.00 95 E 8.46 3.78 0.00 2.01 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 2.31 2.34 0.00 96 A 7.76 3.90 1.23 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 0.00 0.00 0.00 97 E 7.68 3.76 0.00 1.74 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 98 R 7.69 3.29 0.00 1.00 1.71 0.00 3.10 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 99 A 7.67 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.54 4.19 0.00 1.82 1.88 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.58 7.81 101 V 7.00 3.80 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 0.73 0.00 0.00 0.85 0.00 0.00 102 S 8.30 4.70 0.00 3.85 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 0.00 103 L 8.68 4.16 0.00 1.85 1.74 1.15 1.05 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 0.00 104 S 8.25 4.52 0.00 3.99 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 0.00 105 N 7.91 5.30 0.00 2.72 2.74 0.00 0.00 7.02 7.81 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 0.00 106 L 8.62 4.65 0.00 2.13 1.73 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.03 4.59 1.66 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 0.49 0.00 0.00 0.79 0.00 0.00 108 V 8.43 4.64 1.68 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 0.61 0.00 0.00 -0.29 0.00 0.00 109 Y 8.74 5.15 0.00 2.90 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 0.00 110 V 7.88 4.55 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 -0.39 0.00 0.00 0.37 0.00 0.00 111 N 8.48 5.06 0.00 2.56 2.62 0.00 0.00 7.14 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 0.00 112 V 7.93 4.81 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 0.58 0.00 0.00 0.94 0.00 0.00 113 S 8.51 4.30 0.00 3.94 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 0.00 114 T 8.50 3.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 115 A 8.85 3.68 1.38 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 0.00 0.00 116 A 8.05 4.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.45 4.77 0.00 1.46 1.73 0.00 3.21 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 118 V 8.56 4.89 2.30 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 1.33 0.00 0.00 0.99 0.00 0.00 119 T 9.05 4.82 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 1.25 0.00 0.00 120 P 0.00 4.29 0.00 1.84 1.79 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 121 L 8.68 4.20 0.00 1.60 1.51 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.10 4.37 0.00 2.71 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 9.01 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 0.00 0.00 0.00 0.00 124 S 7.41 3.87 0.00 3.37 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 0.00 125 P 0.00 4.40 0.00 2.06 1.80 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 126 K 8.16 4.23 0.00 1.82 1.86 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 127 F 8.34 4.70 0.00 3.15 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 0.00 128 G 9.68 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 0.00 129 V 7.30 4.66 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 1.00 0.00 0.00 1.05 0.00 0.00 130 P 0.00 4.81 0.00 2.05 2.18 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 131 A 9.19 4.72 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 0.00 132 D 8.48 4.92 0.00 2.68 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 0.00 133 W 9.23 4.94 0.00 3.58 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.58 4.19 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 1.30 0.00 0.00 135 R 7.26 4.73 0.00 1.44 1.72 0.00 3.13 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 136 E 8.50 4.61 0.00 2.21 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 2.27 2.37 0.00 137 H 9.45 5.04 0.00 3.07 2.85 0.00 5.57 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 0.00 138 K 8.33 5.39 0.00 1.64 1.68 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 139 Y 9.23 5.10 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.58 5.19 0.00 3.91 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 0.00 141 V 9.06 4.79 2.51 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 1.19 0.00 0.00 1.04 0.00 0.00 *143 A 8.28 4.57 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.79 4.12 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 0.00 145 D 8.10 4.49 0.00 2.85 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 0.00 146 G 8.18 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 0.00 147 T 7.73 4.24 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 1.23 0.00 0.00 148 K 8.16 5.10 0.00 1.65 1.79 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.57 7.81 149 K 8.97 4.59 0.00 1.84 1.92 0.00 1.59 0.00 0.00 1.98 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.19 7.81 150 I 8.37 4.76 1.84 0.00 0.00 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 1.35 0.96 1.00 0.00 0.00 151 W 9.57 4.95 0.00 3.45 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 T 9.44 5.03 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 1.38 0.00 0.00 153 V 9.74 5.13 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 1.19 0.00 0.00 1.22 0.00 0.00 154 K 9.12 5.16 0.00 1.96 1.67 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.49 7.81 155 V 8.75 5.15 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 0.54 0.00 0.00 0.99 0.00 0.00 156 T 8.42 4.89 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 1.23 0.00 0.00 157 L 8.41 5.33 0.00 1.71 1.59 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.65 5.35 0.00 2.61 2.67 0.00 0.00 6.18 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 0.00 159 K 8.35 4.18 0.00 1.82 1.73 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.