NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4846 8.1633 118.1927 54.9067 32.9202 176.3394 2 D 4.1612 8.5523 120.8501 56.4420 40.8144 177.2335 3 L 3.9437 8.7038 121.7144 58.4487 42.5464 178.8073 4 I 3.6791 7.6433 119.1119 64.1713 36.6882 178.2155 5 R 3.8662 7.8545 119.2763 59.5911 29.7924 178.8676 6 S 4.1786 8.2236 114.7228 61.4003 62.8579 176.4838 7 A 3.9856 8.2466 123.7662 55.1016 18.1115 178.9310 8 D 4.3988 8.5906 116.9237 57.7423 41.2193 178.7534 9 I 3.6967 7.3935 118.7493 64.6820 37.1175 178.5417 10 Q 4.0752 7.8924 118.8279 58.8789 28.4402 178.6074 11 M 4.0343 8.5823 120.4540 58.3727 31.9214 178.8972 12 R 3.8639 8.1463 118.3205 59.0723 30.1029 178.6553 13 E 3.8921 8.1390 119.1041 59.3668 29.6617 178.9253 14 L 3.8918 8.0374 119.0280 57.6773 41.6426 179.4728 15 S 3.9638 8.2209 113.2551 61.2688 62.1361 175.9238 16 R 3.8260 7.9223 120.3739 59.7957 29.8643 178.2074 17 L 4.1824 8.0719 117.4187 56.8017 41.7078 177.8834 18 T 4.3552 7.6349 106.2689 59.9980 70.4458 174.7431 19 K 3.8062 8.3587 119.4940 57.1473 30.2495 174.9208 20 E 4.4688 7.5267 118.2519 55.2397 31.4463 175.9488 21 T 4.2474 7.9722 116.8487 63.5783 69.8021 174.1027 22 I 4.9190 8.6840 127.2499 59.7795 40.1569 174.4113 23 H 5.2729 8.8686 123.1718 53.7472 32.6498 172.4803 24 L 5.1812 8.9254 122.8576 53.3585 44.8554 175.5182 25 G 4.6954 9.2808 112.5094 44.5129 0.0000 171.1700 26 A 5.1037 8.8264 122.2656 49.4397 23.4908 174.9465 27 L 4.3743 8.4217 121.4323 55.0834 42.9280 176.5707 28 D 4.5844 8.9377 126.0941 52.4914 41.0703 174.2234 29 E 4.0300 8.3430 123.7379 55.8832 28.1455 174.0417 30 D 4.9075 8.0407 119.4932 52.7770 41.0371 175.4650 31 S 4.6778 7.8897 113.6047 58.1847 67.1623 172.5470 32 I 4.7895 8.5668 114.3731 59.5650 39.8700 174.9639 33 V 4.6596 8.5602 123.3846 59.9614 34.3184 174.2095 34 Y 4.9561 8.6751 123.6167 58.1060 37.9829 176.1442 35 I 3.9142 8.8900 119.1716 62.2846 39.2134 175.3986 36 H 5.1558 8.0792 120.9067 54.6604 33.7064 171.7943 37 K 4.8567 8.0887 122.2998 55.0009 35.5365 175.0508 38 I 4.4133 8.5706 127.2691 59.4562 39.8470 175.1816 39 D 4.6687 8.6239 127.1116 53.6852 41.5160 176.4749 40 S 4.2055 8.4320 117.0875 61.0842 62.7458 176.6298 41 M 4.7190 7.2908 116.7788 54.1015 30.9139 175.6143 *50 I 4.0803 7.9096 121.0248 60.9103 39.4436 178.2989 51 G 4.0368 9.0830 107.7527 45.1524 0.0000 174.0155 52 R 4.1597 7.6320 119.5081 56.4447 31.3233 175.6086 53 R 4.9510 8.4265 121.9821 54.7640 32.7285 174.2474 54 N 5.0356 8.5601 121.5865 50.7891 43.6033 172.4729 55 P 4.3962 0.0000 0.0000 62.5018 32.0163 177.1417 56 L 4.0670 8.2691 121.0315 57.4690 41.8325 178.5294 57 Y 4.5083 7.2436 114.6727 57.5773 38.6714 175.8744 58 S 4.6918 7.4407 113.2082 57.7680 64.2984 174.0468 59 T 4.6255 7.3270 111.8984 59.9614 72.2752 174.9050 60 A 4.0519 8.4491 124.8730 55.4806 18.5506 180.3150 61 I 3.8390 7.8601 118.0666 64.2932 37.1301 178.5421 62 G 3.8168 8.0161 107.9342 47.2239 0.0000 175.6997 63 K 4.0084 7.9754 121.0919 59.3685 31.8889 179.8499 64 V 4.1412 7.6809 110.8476 64.0530 31.6028 178.3195 65 L 4.1882 8.1046 118.0290 56.8642 41.7159 178.3827 66 L 4.4553 7.7960 118.4228 56.1665 42.1367 178.6217 67 A 3.8598 8.1443 121.1888 54.4892 18.3335 178.0826 68 W 4.5528 8.3982 112.6213 56.7717 29.6535 176.6411 69 R 4.3902 7.7159 118.1671 54.9655 30.6632 176.4186 70 D 4.3893 8.6329 118.9245 54.9556 42.4912 177.4780 71 R 4.0134 8.6715 125.7961 58.5240 30.2101 177.8700 72 D 4.4299 8.2007 118.1805 57.3329 41.2836 177.9372 73 E 3.9707 8.0526 119.2081 59.5556 29.4071 179.4440 74 V 3.5734 8.0086 118.0488 66.2497 31.4073 178.1981 75 K 3.9413 7.7895 116.7198 59.3352 32.0966 178.8636 76 Q 4.0975 8.2156 119.8182 59.3444 28.8084 178.2643 77 I 3.6988 7.8986 119.7242 64.5916 37.7280 177.9432 78 L 4.2453 8.1986 117.8200 55.7573 41.3864 178.7085 79 E 3.9817 7.7185 118.9344 59.4849 29.5292 178.8516 80 G 3.6948 7.9073 105.1764 47.1834 0.0000 174.1217 81 V 3.3917 7.3170 120.2754 62.7499 31.7639 174.9169 82 E 4.3471 8.4044 128.2589 54.5534 29.7042 174.9764 83 Y 3.7984 8.3140 124.9790 57.6570 38.6327 175.4203 84 K 4.5276 8.6724 123.0138 54.4994 35.1864 176.4095 85 R 4.3029 8.5588 123.9947 55.6022 29.3093 175.9492 86 S 4.3618 8.7494 122.7660 60.9154 63.5178 174.3786 87 T 4.7680 8.0700 108.5187 59.4833 71.9430 174.1204 88 E 3.9406 8.9380 120.3731 59.5153 29.2886 178.7896 89 R 4.3529 7.6371 114.2344 56.4266 30.8166 177.0019 90 T 3.9907 7.4694 115.4007 63.7941 68.8946 173.6976 91 I 4.1804 8.4269 127.2076 61.0658 37.8010 175.8505 92 T 4.4130 8.1636 116.0908 60.1620 69.5022 173.9870 93 S 3.3194 6.9711 114.8226 56.6301 67.2173 174.0238 94 T 3.9724 7.8138 120.5746 66.2881 67.9814 176.7742 95 E 3.9110 7.9016 118.9936 59.3767 29.0404 178.8518 96 A 4.0519 7.9818 120.7216 54.7284 18.2782 179.4073 97 L 4.2413 7.7524 119.1917 57.9189 42.1699 178.9391 98 L 3.9604 7.9231 119.1016 57.4835 41.5793 177.7940 99 P 4.4194 0.0000 0.0000 65.3922 31.1506 178.8507 100 V 3.5522 7.2150 117.7190 65.9735 31.4115 178.0895 101 L 3.8701 8.2507 119.0746 57.6375 41.3356 179.1769 102 D 4.2029 7.9767 118.9709 57.4836 40.7243 178.7085 103 Q 3.8301 7.7521 119.4627 58.8983 28.9965 178.1984 104 V 3.5476 7.7632 120.9194 65.3266 31.3237 177.8217 105 R 2.6486 7.2273 116.7477 59.0675 29.8437 177.5970 106 E 4.0286 7.8529 117.8898 59.0636 29.7477 178.1425 107 Q 4.3548 8.1460 115.4772 56.2290 29.2593 176.8072 108 G 4.4151 9.7436 108.9347 45.5065 0.0000 172.2043 109 Y 5.2046 7.3215 116.1889 55.8130 41.4547 173.6502 110 G 4.3312 9.5329 107.4359 44.6934 0.0000 171.6919 111 E 5.3391 8.6818 118.5530 54.4973 34.2726 175.0869 112 D 4.7307 9.0821 121.0727 52.9599 43.3850 173.7603 113 N 4.7710 9.5845 126.9400 52.2177 37.9070 174.1828 114 E 4.1252 8.3735 127.4023 56.8985 28.1801 176.1672 115 E 4.3038 8.9042 118.7135 58.0887 30.4812 178.2392 116 Q 4.3275 8.2313 116.3505 57.2667 30.0646 175.8320 117 E 4.6469 7.7195 117.4610 54.2094 32.7247 173.8423 118 E 4.0928 8.7862 125.6744 58.2423 30.0020 177.6404 119 G 3.9512 10.1194 111.0197 45.2007 0.0000 172.1254 120 L 5.0620 7.7689 122.2950 52.2785 44.3838 175.0970 121 R 5.1490 8.8062 125.5450 54.8597 33.2826 173.9261 122 C 5.2878 9.0856 121.5525 58.1881 33.0564 173.0116 123 I 5.1293 8.7691 121.3020 59.7203 40.7491 174.4535 124 A 5.2772 9.3861 126.6249 50.6817 23.2094 175.2481 125 V 4.9843 8.6680 111.7653 58.6539 36.1854 173.7252 126 P 4.2667 0.0000 0.0000 62.6197 32.1980 175.5186 127 V 4.1298 8.0869 121.9717 61.1292 33.8298 174.2608 128 F 5.1007 8.8120 127.1270 55.8051 41.2370 175.8467 129 D 4.7470 8.7465 122.4759 51.9939 41.1571 177.1792 130 R 4.1264 8.4049 114.5649 58.5510 29.2354 177.0722 131 F 4.7298 8.4514 116.2037 57.1552 39.3401 176.5379 132 G 3.6508 8.5353 109.1552 45.3516 0.0000 173.6343 133 V 4.0432 7.7170 119.5407 61.2350 32.4864 175.2995 134 V 3.6763 8.4305 127.0139 63.1241 31.1905 175.1993 135 I 4.3616 8.2275 121.3897 61.5915 38.9398 175.1618 136 A 4.6881 7.6006 123.1792 50.9619 22.9027 174.8441 137 G 4.3271 8.8314 106.0261 44.2838 0.0000 172.0960 138 L 5.3638 8.7449 125.1051 53.0060 44.5577 175.4114 139 S 5.3478 9.2874 120.4771 56.6288 67.0885 172.4733 140 I 5.0884 8.5946 120.2867 58.4243 41.9402 175.9590 141 S 4.8212 8.9840 117.3737 56.8797 62.2606 174.1938 142 F 4.8673 8.1013 120.2067 57.2587 40.7545 173.3652 143 P 4.6638 0.0000 0.0000 65.7556 31.5246 178.4056 144 T 4.1891 8.0766 110.9561 65.3085 67.5789 175.3976 145 L 4.2249 8.0411 119.4836 57.8725 41.9460 177.6846 146 R 3.9677 8.0085 119.0238 56.0524 30.6790 176.5466 147 F 4.3728 8.1784 119.5403 58.0235 40.5671 174.5940 148 S 4.3618 7.1667 120.6087 55.5377 65.9269 174.3297 149 E 3.6870 8.5593 128.9664 59.1943 29.4743 178.7728 150 E 3.8535 7.8773 118.3438 59.2058 29.5323 179.0592 151 R 3.5351 7.7846 118.8862 59.0384 30.0052 178.0372 152 L 3.8447 7.4180 120.0456 58.5225 42.0156 179.0913 153 Q 3.9124 8.2026 118.0342 58.8463 28.5195 178.4434 154 E 3.9646 8.2497 120.3778 59.5241 29.6028 178.5138 155 Y 4.2911 8.4345 117.2963 61.0990 37.8326 178.7236 156 V 3.4719 8.1981 119.3139 65.8123 31.6349 177.9820 157 A 4.0637 8.2042 120.6185 55.5685 18.2758 179.6057 158 M 4.0852 8.4314 117.4843 58.2579 32.0120 178.8925 159 L 3.9752 8.2016 119.5131 58.2166 41.7514 179.2799 160 H 4.3086 8.4674 116.2104 59.1718 28.7233 177.8053 161 T 3.8780 8.0573 117.2076 66.6777 68.3707 176.2702 162 A 4.1080 8.0580 122.0696 55.3299 18.3805 179.5244 163 A 3.9713 8.5790 119.4790 55.4344 18.4161 180.0746 164 R 4.0117 8.4484 116.9057 59.2326 30.0201 179.4922 165 K 3.9819 8.0615 118.1522 59.5086 32.0634 179.3347 166 I 3.6973 7.8180 119.9656 64.5495 36.9629 178.6156 167 S 4.2865 8.4886 115.9331 61.6796 62.7519 176.4443 168 A 4.1957 8.4810 123.7741 55.6140 17.9140 179.5532 169 Q 4.1284 8.2324 114.4618 58.2931 28.9072 177.8137 170 M 4.3261 7.6194 118.3302 55.7960 32.3473 177.0206 171 G 3.9656 7.7281 107.2047 45.1108 0.0000 173.0756 172 Y 4.3235 8.0869 126.0609 57.7162 38.7200 175.1352 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 4.48 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 2 D 8.55 4.16 0.00 2.79 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 3 L 8.70 3.94 0.00 1.74 1.66 0.91 1.02 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 4 I 7.64 3.68 1.83 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 1.50 0.35 0.74 0.00 0.00 5 R 7.85 3.87 0.00 2.04 1.91 0.00 3.08 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 6 S 8.22 4.18 0.00 3.92 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 7 A 8.25 3.99 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 8 D 8.59 4.40 0.00 2.73 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 9 I 7.39 3.70 2.02 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 1.52 0.51 0.91 0.00 0.00 10 Q 7.89 4.08 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 11 M 8.58 4.03 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 12 R 8.15 3.86 0.00 1.84 1.96 0.00 3.32 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 13 E 8.14 3.89 0.00 2.08 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 2.29 2.38 0.00 14 L 8.04 3.89 0.00 1.81 1.58 0.87 0.56 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 15 S 8.22 3.96 0.00 3.80 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 16 R 7.92 3.83 0.00 1.90 2.12 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 17 L 8.07 4.18 0.00 1.59 1.69 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.63 4.36 3.85 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 0.95 0.00 0.00 19 K 8.36 3.81 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.51 7.81 20 E 7.53 4.47 0.00 1.68 1.77 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 2.31 1.97 0.00 21 T 7.97 4.25 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 22 I 8.68 4.92 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.15 0.87 0.00 0.00 23 H 8.87 5.27 0.00 3.03 3.01 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.93 5.18 0.00 1.77 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.28 4.70 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 26 A 8.83 5.10 1.18 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 0.00 0.00 27 L 8.42 4.37 0.00 1.64 1.57 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.94 4.58 0.00 2.67 2.43 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 29 E 8.34 4.03 0.00 2.15 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 2.18 2.27 0.00 30 D 8.04 4.91 0.00 2.69 2.65 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 31 S 7.89 4.68 0.00 3.89 3.89 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 32 I 8.57 4.79 1.66 0.00 0.00 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 1.18 0.20 0.83 0.00 0.00 33 V 8.56 4.66 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 0.85 0.00 0.00 0.92 0.00 0.00 34 Y 8.68 4.96 0.00 2.98 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 35 I 8.89 3.91 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 1.28 0.63 0.93 0.00 0.00 36 H 8.08 5.16 0.00 3.20 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.09 4.86 0.00 1.64 1.47 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.62 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.05 0.94 7.81 38 I 8.57 4.41 1.77 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 1.09 0.89 0.84 0.00 0.00 39 D 8.62 4.67 0.00 2.59 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 40 S 8.43 4.21 0.00 3.78 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 41 M 7.29 4.72 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 *50 I 7.91 4.08 1.95 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 1.34 0.54 0.98 0.00 0.00 51 G 9.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.63 4.16 0.00 1.98 1.97 0.00 3.14 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 53 R 8.43 4.95 0.00 1.72 1.70 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 54 N 8.56 5.04 0.00 2.38 2.45 0.00 0.00 6.77 8.06 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 55 P 0.00 4.40 0.00 1.16 0.99 0.00 3.46 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 56 L 8.27 4.07 0.00 1.74 1.74 0.89 0.75 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 57 Y 7.24 4.51 0.00 3.26 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 58 S 7.44 4.69 0.00 3.90 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 59 T 7.33 4.63 4.24 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 68 W 8.40 4.55 0.00 3.49 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 69 R 7.72 4.39 0.00 2.09 1.91 0.00 3.23 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 70 D 8.63 4.39 0.00 2.81 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 71 R 8.67 4.01 0.00 1.96 1.90 0.00 3.25 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 72 D 8.20 4.43 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 3.97 0.00 2.18 2.04 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 2.35 2.35 0.00 74 V 8.01 3.57 2.24 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 1.13 0.00 0.00 1.03 0.00 0.00 75 K 7.79 3.94 0.00 1.82 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.46 7.81 76 Q 8.22 4.10 0.00 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0.00 1.80 1.61 0.93 1.06 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 0.00 102 D 7.98 4.20 0.00 2.84 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 0.00 103 Q 7.75 3.83 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 104 V 7.76 3.55 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 1.11 0.00 0.00 0.91 0.00 0.00 105 R 7.23 2.65 0.00 1.27 1.56 0.00 3.13 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 106 E 7.85 4.03 0.00 2.04 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 0.00 2.30 2.30 0.00 107 Q 8.15 4.35 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.62 0.00 0.00 0.00 0.00 0.00 2.25 1.47 0.00 108 G 9.74 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.32 5.20 0.00 3.29 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 0.00 110 G 9.53 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 0.00 0.00 0.00 0.00 111 E 8.68 5.34 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 112 D 9.08 4.73 0.00 2.83 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 9.58 4.77 0.00 2.64 2.67 0.00 0.00 7.37 7.21 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 0.00 114 E 8.37 4.13 0.00 2.11 1.97 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 2.41 2.25 0.00 115 E 8.90 4.30 0.00 2.11 2.04 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 2.45 2.47 0.00 116 Q 8.23 4.33 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 117 E 7.72 4.65 0.00 1.96 1.75 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 2.29 2.35 0.00 118 E 8.79 4.09 0.00 1.99 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 2.33 2.40 0.00 119 G 10.12 3.95 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 0.00 0.00 0.00 120 L 7.77 5.06 0.00 1.83 1.72 0.98 0.85 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 0.00 121 R 8.81 5.15 0.00 1.80 1.67 0.00 2.54 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.60 0.00 122 C 9.09 5.29 0.00 2.88 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 0.00 123 I 8.77 5.13 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.44 0.90 0.00 0.00 124 A 9.39 5.28 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 0.00 125 V 8.67 4.98 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 0.61 0.00 0.00 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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 0.67 0.00 0.00 0.40 0.00 0.00 135 I 8.23 4.36 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 1.23 0.77 0.99 0.00 0.00 136 A 7.60 4.69 1.18 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 0.00 0.00 137 G 8.83 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 0.00 0.00 0.00 0.00 138 L 8.74 5.36 0.00 1.72 1.48 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.29 5.35 0.00 4.06 3.97 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 0.00 140 I 8.59 5.09 1.78 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 1.15 0.00 0.00 141 S 8.98 4.82 0.00 3.99 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 0.00 142 F 8.10 4.87 0.00 3.60 3.21 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 0.00 143 P 0.00 4.66 0.00 2.09 2.14 0.00 3.72 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 144 T 8.08 4.19 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 1.32 0.00 0.00 145 L 8.04 4.22 0.00 1.73 1.77 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.01 3.97 0.00 1.79 1.97 0.00 3.18 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 147 F 8.18 4.37 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 0.00 148 S 7.17 4.36 0.00 3.68 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 0.00 149 E 8.56 3.69 0.00 2.11 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 2.41 2.45 0.00 150 E 7.88 3.85 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 2.35 2.38 0.00 151 R 7.78 3.54 0.00 1.54 1.52 0.00 2.62 0.00 0.00 2.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 152 L 7.42 3.84 0.00 1.62 1.63 0.79 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.20 3.91 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 154 E 8.25 3.96 0.00 2.04 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 2.47 2.42 0.00 155 Y 8.43 4.29 0.00 3.23 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 0.00 156 V 8.20 3.47 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 1.10 0.00 0.00 0.26 0.00 0.00 157 A 8.20 4.06 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 0.00 0.00 0.00 0.00 0.00 158 M 8.43 4.09 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 159 L 8.20 3.98 0.00 1.85 1.69 0.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.47 4.31 0.00 3.45 3.38 0.00 5.63 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 0.00 161 T 8.06 3.88 4.41 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 1.23 0.00 0.00 162 A 8.06 4.11 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 0.00 163 A 8.58 3.97 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 0.00 164 R 8.45 4.01 0.00 2.01 2.05 0.00 3.40 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 165 K 8.06 3.98 0.00 2.00 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 166 I 7.82 3.70 2.00 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 1.52 1.40 0.91 0.00 0.00 167 S 8.49 4.29 0.00 4.22 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 0.00 168 A 8.48 4.20 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 0.00 169 Q 8.23 4.13 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 170 M 7.62 4.33 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.92 0.00 171 G 7.73 3.97 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 0.00 0.00 0.00 172 Y 8.09 4.32 0.00 2.97 2.90 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.