NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4373 8.1633 120.3494 54.7299 34.4104 176.6905 2 N 4.2182 8.4050 121.0182 55.8842 39.6135 174.3658 3 R 4.6124 7.8566 116.1070 52.6528 32.0166 175.2426 4 G 3.8166 8.4014 108.2371 47.4279 0.0000 171.3429 5 A 4.0714 7.8394 122.5806 54.3777 18.9940 178.7646 6 L 3.9164 7.9395 118.0436 58.4533 42.2628 179.1590 7 I 3.7998 8.0772 120.0638 64.0818 36.9871 178.0036 8 K 4.6152 7.5481 120.2494 59.2521 31.8858 179.1545 9 L 4.0091 7.7866 117.2884 57.8410 41.6037 179.8914 10 V 3.6896 8.2986 118.4283 66.1318 31.6609 177.8404 11 E 4.0723 7.9656 117.7304 58.7211 30.2009 177.9131 12 S 4.1978 7.4833 116.4009 57.9471 61.3121 174.1064 13 R 4.2413 7.7221 116.3912 56.4601 30.4777 175.7681 14 Y 4.5999 7.6006 112.8908 57.3813 38.3861 176.0384 15 V 4.5964 7.3596 118.3777 59.9074 34.0108 176.6820 16 R 4.2959 8.1994 124.4804 58.4100 31.7415 175.1138 17 T 4.6205 7.2349 121.9240 63.8770 69.8989 174.8571 18 D 4.4795 8.1852 120.4386 55.9377 39.7285 177.0590 19 L 4.1821 7.6527 118.8848 53.4700 42.2730 175.0153 20 P 4.3342 0.0000 0.0000 62.8515 31.9076 175.4996 21 E 4.1007 8.5421 122.8309 55.2010 30.4297 175.2470 22 F 5.0164 7.2668 119.5505 55.8342 41.2027 172.8823 23 R 4.7186 8.7652 115.1907 55.3995 31.7669 175.1179 24 P 5.0095 0.0000 0.0000 64.0656 30.8302 176.0567 25 G 3.4624 12.0000 109.5877 47.6123 0.0000 175.3703 26 D 4.8846 8.9484 120.1518 52.7224 43.6442 176.3015 27 T 4.3327 7.9349 128.0068 59.7288 69.4934 175.8544 28 V 3.9923 8.9795 124.4591 63.3335 31.0481 168.7750 29 R 4.3515 8.8092 130.1069 57.4394 33.4621 173.3436 30 V 3.4974 7.9931 114.1489 61.6294 34.8580 175.0430 31 S 4.6671 7.5834 122.5097 58.0694 65.1043 173.6647 32 Y 4.7912 8.4368 117.2561 56.0373 45.1097 170.5813 33 K 3.5977 7.1622 125.9536 54.8004 32.2453 174.8711 34 V 4.5030 8.4689 120.7395 59.4473 34.0734 175.1685 35 K 3.9995 8.6706 123.4309 58.8956 35.9134 174.3384 36 E 3.5804 9.9769 119.8491 57.0298 28.3225 175.7761 37 G 4.0162 8.3653 105.8426 45.3602 0.0000 173.1818 38 N 4.7720 7.2731 116.1239 51.4512 36.5923 175.3672 39 R 3.1565 7.8289 118.8925 57.7614 31.4323 175.8261 40 T 3.9041 6.5504 107.6464 57.8756 70.0231 174.1375 41 R 5.5649 7.1681 135.0000 56.4960 32.0477 171.7459 42 I 3.8642 7.7866 113.0473 60.9865 38.2849 175.8832 43 Q 4.5330 8.6575 129.0163 55.1267 30.8843 174.2117 44 D 5.1792 8.5352 123.6337 53.1746 43.5496 176.5401 45 F 4.4516 8.4436 122.4141 56.7758 41.4773 172.0187 46 E 4.4246 8.3598 126.4191 55.2073 30.3838 175.3939 47 G 4.0975 8.0985 112.3126 45.8560 0.0000 172.5379 48 I 4.2354 7.8119 121.7831 60.7988 38.7707 176.2748 49 V 4.4836 7.9171 124.5052 61.1809 31.5489 176.6975 50 I 3.8183 8.5797 128.6773 63.8697 38.6360 176.7130 51 R 4.5698 7.6576 119.4372 55.2804 33.8651 173.8270 52 I 4.9944 8.5670 127.3521 59.6420 39.4614 174.9929 53 R 4.5218 9.4223 128.7867 54.3869 31.8281 175.4359 54 R 4.3216 8.6358 125.5552 56.3186 30.8658 175.6440 55 N 4.4751 8.7578 116.2216 53.4778 41.0324 175.9907 56 G 3.9181 8.4965 105.3120 45.6509 0.0000 176.0269 57 F 4.6385 8.4676 121.0042 56.8000 41.5861 174.5338 58 N 3.5451 6.6726 115.7760 52.9621 36.1261 173.8056 59 T 4.3372 7.5416 110.4927 62.4372 69.9224 173.9614 60 T 5.1813 8.3422 115.2598 60.3066 72.4575 172.5734 61 F 6.2128 9.2340 114.8128 56.5468 41.5726 173.3787 62 T 4.7430 8.5827 110.3287 59.8241 72.0233 172.6877 63 V 4.8583 8.1535 123.0729 61.1552 34.9597 173.9231 64 R 5.0815 9.1875 128.2102 54.6397 32.0252 174.6595 65 K 4.8013 9.6054 126.6116 54.9082 36.6398 175.0078 66 V 4.8476 7.9540 122.6293 59.8035 31.0036 173.3824 67 S 4.2994 8.2600 115.5840 58.4970 62.9543 174.9723 68 Y 3.5548 8.7618 130.0004 59.1932 36.1713 171.7377 69 G 3.6524 9.5089 116.1965 49.1028 0.0000 173.8872 70 V 4.0994 7.6426 119.7308 61.7363 33.7775 174.6217 71 G 4.4469 8.4783 108.9639 44.4977 0.0000 172.9409 72 V 4.7449 10.2006 121.1119 60.8724 35.6354 173.8644 73 E 5.7846 8.7274 124.4982 53.7240 32.3642 175.2905 74 R 4.1672 8.1595 122.7036 54.0592 33.1188 174.7700 75 I 4.2237 7.5990 123.5391 59.3853 39.3165 174.8053 76 F 5.1750 7.9425 126.3503 55.0144 40.8222 175.3440 77 P 4.2916 0.0000 0.0000 63.7151 31.4149 177.7402 78 L 4.1916 9.1211 118.1416 55.3411 40.7983 173.2999 79 H 4.9596 7.7711 113.1360 56.3778 33.6501 172.1894 80 S 4.4514 8.7053 115.5646 56.5653 59.8944 168.5079 81 P 4.2511 0.0000 0.0000 61.7868 30.0046 176.3496 82 L 4.3741 8.0706 126.6265 57.8501 42.6544 178.6377 83 I 3.0450 6.1522 110.2192 61.5272 40.2088 176.3517 84 Q 4.8369 7.0265 120.7850 54.4226 31.5247 174.9980 85 K 4.3765 8.0421 111.6814 55.1804 33.9699 175.4217 86 I 3.8746 7.7752 118.9616 61.4659 38.6502 174.0177 87 D 4.9019 8.1929 122.5212 52.6807 42.0834 173.8363 88 I 3.8821 8.5840 124.4766 62.8901 36.9685 178.2459 89 V 4.2674 8.9557 126.2691 62.0407 33.3546 174.5257 90 Q 4.5070 8.6589 127.3168 55.4631 30.4300 174.4078 91 R 4.2233 8.3755 125.6785 54.2464 35.6689 178.7110 92 G 3.6585 9.6611 115.5632 46.4184 0.0000 175.9049 93 R 3.1546 8.5990 119.1034 56.7183 30.9266 176.7655 94 A 3.7524 8.6881 113.9396 53.4594 15.1553 176.8795 95 R 4.2985 8.2038 120.6009 57.6026 30.3792 176.8745 96 R 4.6220 7.6184 113.5097 54.2789 31.8244 173.9622 97 A 3.9272 8.0200 120.8238 54.2407 18.8998 177.2909 98 K 4.2999 7.7740 114.3007 54.7011 34.1490 177.7708 99 L 5.1151 7.7988 123.1202 54.2498 40.1753 177.0151 100 Y 4.0360 7.8660 118.9202 60.4591 38.6368 177.3103 101 F 4.3944 8.5719 116.2019 59.9141 37.0956 177.3274 102 I 3.6105 6.5461 113.4067 63.5893 37.0290 178.2086 103 R 3.9197 7.5595 119.0036 59.4705 30.2517 177.6564 104 N 4.4585 7.8764 112.6022 55.8032 38.5269 175.9139 105 L 4.6358 7.4939 120.0255 52.3181 42.3218 174.7946 106 S 4.7802 8.3732 116.5699 56.1042 66.1673 173.8794 107 D 4.5898 8.0071 126.4050 52.6087 41.4706 179.2209 108 R 4.0449 8.8236 117.2145 58.3252 30.0668 177.7471 109 E 4.1693 7.8605 117.9574 59.8703 29.7518 178.6625 110 I 3.7229 7.8023 119.2759 64.7163 36.9602 178.5020 111 R 4.0054 7.7590 117.2699 59.1312 29.8590 178.9036 112 R 4.1843 7.9711 117.5234 58.6083 30.3751 178.3236 113 K 4.3635 7.9213 115.5105 56.9463 33.7930 176.7641 114 L 5.1467 7.5490 117.9664 52.4780 43.4254 176.3260 115 R 3.6765 8.4328 115.6257 58.1678 29.3924 179.1738 116 A 4.1626 8.7120 127.9065 52.0617 20.9180 177.1061 117 D 4.5423 8.0959 123.0818 55.2630 39.8101 177.1398 118 R 3.8397 8.6788 124.0321 59.4320 30.5381 179.3434 119 K 4.2015 8.0504 117.8457 59.8572 32.2342 178.3656 120 R 4.0140 7.3923 116.3522 58.7011 30.2422 179.0184 121 I 3.9440 8.4135 120.7984 64.4487 37.4360 177.8299 122 D 4.6036 8.1034 118.2752 55.8482 40.5183 177.2702 123 Q 4.3979 7.4727 117.0482 56.4343 29.3079 175.9923 124 D 4.7648 7.9057 121.9075 56.2082 42.2263 178.5070 125 R 4.0633 7.9729 115.9513 58.0204 30.4761 177.1785 126 A 4.2518 7.5420 118.7353 53.1841 19.4854 177.2585 127 A 4.5996 7.4595 120.0571 52.3360 18.9658 177.2962 128 E 4.6133 7.7736 115.2204 56.7128 30.7156 176.4147 129 R 4.3289 7.9264 119.6991 57.5645 27.6041 175.7105 130 A 4.3350 7.7105 119.8764 52.0235 20.4222 176.8239 131 A 3.9184 7.0473 117.0754 51.3555 16.9360 178.2653 132 K 4.3768 8.3269 123.1978 57.6118 29.5061 178.1405 133 E 4.3798 8.0773 123.4365 56.1159 29.6681 175.9369 134 E 4.4339 8.5426 117.5904 55.1437 31.4370 175.1206 135 A 4.2697 8.7347 130.6295 52.8965 19.2146 178.9287 136 Q 3.9045 8.3132 114.9932 57.8171 27.7712 177.9096 137 K 4.1477 5.6600 112.9996 55.6781 31.8164 176.8995 *138 A 4.1104 7.6916 125.4413 52.5031 18.7921 176.9102 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 1 M 8.16 4.44 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 2 N 8.40 4.22 0.00 2.83 2.90 0.00 0.00 6.62 6.78 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 3 R 7.86 4.61 0.00 1.86 1.81 0.00 3.32 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 4 G 8.40 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 5 A 7.84 4.07 1.31 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 0.00 0.00 6 L 7.94 3.92 0.00 1.65 1.74 0.92 1.01 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 7 I 8.08 3.80 1.88 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 1.81 0.86 0.97 0.00 0.00 8 K 7.55 4.62 0.00 1.88 1.92 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.53 7.81 9 L 7.79 4.01 0.00 1.81 1.76 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.30 3.69 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 1.02 0.00 0.00 0.96 0.00 0.00 11 E 7.97 4.07 0.00 2.23 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 2.37 2.45 0.00 12 S 7.48 4.20 0.00 3.87 3.32 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 13 R 7.72 4.24 0.00 1.58 1.40 0.00 3.13 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 14 Y 7.60 4.60 0.00 2.89 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 15 V 7.36 4.60 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 0.76 0.00 0.00 0.96 0.00 0.00 16 R 8.20 4.30 0.00 1.66 2.12 0.00 3.59 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 17 T 7.23 4.62 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 1.19 0.00 0.00 18 D 8.19 4.48 0.00 2.82 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 19 L 7.65 4.18 0.00 1.65 1.70 0.87 1.05 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 20 P 0.00 4.33 0.00 2.19 2.06 0.00 3.77 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 2.26 2.12 0.00 21 E 8.54 4.10 0.00 1.84 1.78 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 2.08 2.08 0.00 22 F 7.27 5.02 0.00 3.09 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 23 R 8.77 4.72 0.00 2.00 2.03 0.00 3.00 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 24 P 0.00 5.01 0.00 2.14 2.12 0.00 3.78 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 25 G 12.00 3.46 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 0.00 26 D 8.95 4.88 0.00 2.65 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 27 T 7.93 4.33 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 1.14 0.00 0.00 28 V 8.98 3.99 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 0.87 0.00 0.00 1.08 0.00 0.00 29 R 8.81 4.35 0.00 2.02 1.81 0.00 3.57 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 30 V 7.99 3.50 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 0.99 0.00 0.00 1.03 0.00 0.00 31 S 7.58 4.67 0.00 3.53 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 32 Y 8.44 4.79 0.00 3.15 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 33 K 7.16 3.60 0.00 2.04 1.75 0.00 1.55 0.00 0.00 1.28 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.10 1.39 7.81 34 V 8.47 4.50 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 0.96 0.00 0.00 0.99 0.00 0.00 35 K 8.67 4.00 0.00 1.97 1.93 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.18 7.81 36 E 9.98 3.58 0.00 2.10 2.12 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 2.35 2.28 0.00 37 G 8.37 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 38 N 7.27 4.77 0.00 2.83 2.85 0.00 0.00 6.99 6.94 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 39 R 7.83 3.16 0.00 1.94 1.86 0.00 3.18 0.00 0.00 3.42 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 40 T 6.55 3.90 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 1.23 0.00 0.00 41 R 7.17 5.56 0.00 2.15 1.92 0.00 3.42 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 42 I 7.79 3.86 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.96 0.00 0.00 43 Q 8.66 4.53 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 44 D 8.54 5.18 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.44 4.45 0.00 3.24 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.36 4.42 0.00 1.97 1.72 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 2.22 2.29 0.00 47 G 8.10 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 48 I 7.81 4.24 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.36 0.94 0.00 0.00 49 V 7.92 4.48 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 0.82 0.00 0.00 1.23 0.00 0.00 50 I 8.58 3.82 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.23 0.62 0.00 0.00 51 R 7.66 4.57 0.00 1.37 1.58 0.00 3.23 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 52 I 8.57 4.99 1.90 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 0.93 0.86 0.00 0.00 53 R 9.42 4.52 0.00 1.82 1.84 0.00 3.28 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 54 R 8.64 4.32 0.00 1.85 1.84 0.00 3.31 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 55 N 8.76 4.48 0.00 2.61 2.71 0.00 0.00 6.98 7.98 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 56 G 8.50 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 0.00 0.00 0.00 57 F 8.47 4.64 0.00 2.95 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 58 N 6.67 3.55 0.00 2.59 2.16 0.00 0.00 6.02 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 59 T 7.54 4.34 4.33 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 1.32 0.00 0.00 60 T 8.34 5.18 4.36 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 1.21 0.00 0.00 61 F 9.23 6.21 0.00 3.39 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 62 T 8.58 4.74 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 1.08 0.00 0.00 63 V 8.15 4.86 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 1.25 0.00 0.00 0.91 0.00 0.00 64 R 9.19 5.08 0.00 1.88 1.73 0.00 3.29 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 65 K 9.61 4.80 0.00 1.68 1.34 0.00 1.41 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.96 1.24 7.81 66 V 7.95 4.85 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 1.27 0.00 0.00 0.92 0.00 0.00 67 S 8.26 4.30 0.00 3.77 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 68 Y 8.76 3.55 0.00 3.09 2.20 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 69 G 9.51 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.64 4.10 2.09 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 0.96 0.00 0.00 0.94 0.00 0.00 71 G 8.48 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 72 V 10.20 4.74 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 1.07 0.00 0.00 0.94 0.00 0.00 73 E 8.73 5.78 0.00 1.81 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 2.18 2.14 0.00 74 R 8.16 4.17 0.00 0.67 0.66 0.00 2.72 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 75 I 7.60 4.22 1.67 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.35 0.77 0.00 0.00 76 F 7.94 5.17 0.00 2.22 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 77 P 0.00 4.29 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 78 L 9.12 4.19 0.00 2.16 2.09 0.82 0.90 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 79 H 7.77 4.96 0.00 3.08 3.38 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.71 4.45 0.00 3.99 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 0.49 1.29 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 82 L 8.07 4.37 0.00 1.60 1.57 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 I 6.15 3.04 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.93 0.00 0.00 84 Q 7.03 4.84 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.63 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 85 K 8.04 4.38 0.00 1.74 1.84 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.36 7.81 86 I 7.78 3.87 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.98 0.00 0.00 87 D 8.19 4.90 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.58 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 1.11 0.54 0.91 0.00 0.00 89 V 8.96 4.27 2.09 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 0.81 0.00 0.00 0.93 0.00 0.00 90 Q 8.66 4.51 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 91 R 8.38 4.22 0.00 1.85 1.53 0.00 3.28 0.00 0.00 3.58 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 92 G 9.66 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.60 3.15 0.00 1.87 2.09 0.00 3.32 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 94 A 8.69 3.75 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 95 R 8.20 4.30 0.00 1.82 1.99 0.00 3.38 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 96 R 7.62 4.62 0.00 1.86 1.87 0.00 3.17 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 97 A 8.02 3.93 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 98 K 7.77 4.30 0.00 1.87 1.75 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.60 1.31 7.81 99 L 7.80 5.12 0.00 1.61 2.10 0.87 1.23 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 0.00 100 Y 7.87 4.04 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.57 4.39 0.00 3.26 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 0.00 102 I 6.55 3.61 1.67 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 1.23 0.64 0.07 0.00 0.00 103 R 7.56 3.92 0.00 1.89 2.10 0.00 3.22 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 104 N 7.88 4.46 0.00 2.90 2.92 0.00 0.00 6.89 7.73 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 0.00 105 L 7.49 4.64 0.00 1.71 1.84 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.37 4.78 0.00 3.90 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 0.00 107 D 8.01 4.59 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.82 4.04 0.00 1.83 2.01 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 109 E 7.86 4.17 0.00 2.37 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 0.00 2.35 2.45 0.00 110 I 7.80 3.72 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 0.89 0.00 0.00 111 R 7.76 4.01 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 112 R 7.97 4.18 0.00 2.03 2.01 0.00 3.17 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 113 K 7.92 4.36 0.00 1.85 2.07 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.64 1.68 7.81 114 L 7.55 5.15 0.00 1.63 1.59 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.43 3.68 0.00 1.81 1.73 0.00 3.43 0.00 0.00 3.24 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 116 A 8.71 4.16 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 0.00 117 D 8.10 4.54 0.00 2.92 2.63 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 0.00 0.00 0.00 0.00 118 R 8.68 3.84 0.00 1.92 2.19 0.00 3.22 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 119 K 8.05 4.20 0.00 1.83 1.97 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.60 7.81 120 R 7.39 4.01 0.00 1.89 2.00 0.00 3.24 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 121 I 8.41 3.94 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.14 0.92 0.00 0.00 122 D 8.10 4.60 0.00 2.69 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 0.00 123 Q 7.47 4.40 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 124 D 7.91 4.76 0.00 3.09 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 0.00 125 R 7.97 4.06 0.00 1.80 1.99 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 126 A 7.54 4.25 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 0.00 127 A 7.46 4.60 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 0.00 128 E 7.77 4.61 0.00 2.18 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 2.27 2.42 0.00 129 R 7.93 4.33 0.00 1.77 1.93 0.00 3.27 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 130 A 7.71 4.33 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 0.00 131 A 7.05 3.92 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 0.00 132 K 8.33 4.38 0.00 1.83 1.78 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.43 7.81 133 E 8.08 4.38 0.00 1.90 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 2.29 2.35 0.00 134 E 8.54 4.43 0.00 1.90 1.81 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 2.24 2.28 0.00 135 A 8.73 4.27 1.39 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 0.00 0.00 136 Q 8.31 3.90 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.66 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 137 K 5.66 4.15 0.00 2.08 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.53 7.81 *138 A 7.69 4.11 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 * Residues marked with a * may have inaccurate shift predictions.