NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2257 8.0093 121.4417 61.7305 37.6981 175.1346 5 N 4.8942 8.3150 122.9360 50.1590 38.1381 172.5318 6 T 4.6320 8.5274 110.3101 60.5993 73.3344 175.8882 7 F 4.2651 8.3721 121.1277 61.2033 39.0494 177.8225 8 D 4.5669 8.3302 118.0034 57.1173 40.7599 178.7750 9 G 3.6899 7.9605 105.9531 48.0062 0.0000 175.9527 10 V 3.6570 8.1360 121.0994 65.3015 31.6038 177.7367 11 A 4.0729 8.1557 120.5919 55.4465 18.0915 179.4412 12 D 4.1960 8.1251 117.0827 57.6062 40.9469 177.9722 13 Y 4.0360 7.9770 120.0370 60.9296 38.7322 178.1713 14 L 3.8234 8.3880 119.8037 58.1575 41.5866 179.5804 15 Q 3.5937 7.5149 115.9996 58.9766 28.6514 179.0257 16 T 3.5865 6.8925 115.1739 66.1634 68.7119 176.3245 17 Y 4.1930 7.6955 117.1184 57.6489 37.9075 176.1981 18 H 3.5524 7.7872 115.9929 55.6129 26.9402 174.2040 19 K 4.6966 7.2951 116.5022 55.8677 35.3649 175.1776 20 L 4.1592 8.2050 119.5354 53.3230 42.3988 175.3914 21 P 3.7349 0.0000 0.0000 62.2238 31.7460 177.4641 22 D 4.4230 8.3363 119.4516 56.8263 40.9144 177.1727 23 N 4.6092 8.0194 116.0188 52.9306 37.5558 173.2994 24 Y 5.1834 7.4383 116.7064 56.5135 40.1327 175.2106 25 I 4.9968 8.5169 116.2376 59.2050 41.7444 175.0205 26 T 4.6993 9.1972 114.7505 61.0401 70.1956 175.7670 27 K 3.9818 9.0743 121.5018 59.6391 31.9298 179.9161 28 S 4.1980 8.1107 114.9541 61.7013 62.6406 176.4111 29 E 3.9850 7.8387 119.1361 59.3182 29.5374 178.8994 30 A 4.1639 8.0926 120.7113 55.3457 18.4597 179.5099 31 Q 4.1461 8.5995 116.3984 59.4085 28.6760 179.2628 32 A 4.1089 8.0136 119.9129 54.7029 18.4267 178.8083 33 L 4.3963 7.7310 115.7374 54.7291 42.0935 177.5269 34 G 4.1711 7.8329 107.6007 44.9013 0.0000 173.5622 35 W 4.3748 8.2550 129.9447 57.0080 31.1737 175.3711 36 V 3.7597 9.1542 126.0316 60.5588 32.4693 175.5770 37 A 3.5741 7.5877 130.9137 55.3769 18.1590 179.4819 38 S 4.4897 7.8561 109.1333 60.6551 63.0320 175.3162 39 K 4.1578 7.8374 118.7777 55.5871 33.3632 176.4927 40 G 3.1542 7.4596 107.3162 46.7930 0.0000 174.1278 41 N 4.9259 7.7954 111.5617 52.2525 38.4984 176.2767 42 L 3.9694 8.5293 122.5227 59.0591 41.7605 178.8446 43 A 4.3341 8.1137 118.5589 54.9564 18.3784 178.9216 44 D 4.4472 7.8917 116.6872 57.5371 41.1684 178.6676 45 V 4.0075 7.7277 111.4775 62.5907 33.3509 176.6380 46 A 4.6390 8.4561 121.3374 48.5052 18.7497 172.4003 47 P 4.3883 0.0000 0.0000 64.0016 31.7646 178.1739 48 G 3.8676 8.8851 109.5642 45.2859 0.0000 173.0786 49 K 4.6791 7.7021 118.5645 55.2369 34.0798 176.1490 50 S 4.5686 8.4455 117.5259 56.6156 67.6043 173.2731 51 I 4.4100 7.8639 122.9709 61.0734 38.1128 175.2764 52 G 4.2561 9.1587 111.7017 47.0433 0.0000 173.7032 53 G 4.3726 9.8386 110.2288 44.5893 0.0000 174.1639 54 D 4.7224 8.0708 119.7179 53.8178 42.4322 175.8007 55 I 4.2735 8.3391 122.4499 61.5274 37.9272 175.0571 56 F 4.7952 8.7215 129.8776 56.4790 40.0229 175.7908 57 S 3.9345 8.1216 121.3747 60.0660 63.3318 174.2679 58 N 3.7057 6.4690 120.0857 54.3987 36.8038 176.8043 *59 R 3.9534 7.8945 116.1764 59.2328 29.5745 180.1938 60 E 4.0746 8.0688 115.8736 56.6913 29.6861 176.8867 61 G 3.8360 7.8246 109.5441 47.1126 0.0000 175.3191 62 K 4.2400 8.1275 119.3902 54.7102 32.5302 178.8988 63 L 4.0026 7.1218 117.3953 52.0514 43.9525 174.3210 64 P 4.1989 0.0000 0.0000 63.3250 31.0697 176.2494 65 G 4.0345 8.4329 112.2678 44.8591 0.0000 171.7675 66 K 4.3276 7.8569 119.4846 55.1765 34.8966 174.3502 67 S 4.4200 8.5746 118.3178 59.1300 63.5109 174.6362 68 G 3.7943 8.9508 113.0170 45.1748 0.0000 172.3956 69 R 4.1762 7.3227 119.9653 54.7416 31.2305 175.4243 70 T 4.6361 8.4470 115.6771 59.6330 71.8855 172.9189 71 W 5.0478 8.5949 122.9672 55.3117 32.0501 175.0970 72 R 5.2455 8.6645 121.2949 54.4865 34.5057 173.6930 73 E 5.5705 8.9502 117.2280 55.2015 33.7845 174.1916 74 A 5.0128 8.7625 120.6012 50.6915 23.0218 175.5052 75 D 5.0260 9.3085 122.2909 54.3920 41.1281 176.0975 76 I 4.4454 8.4839 122.8049 60.0540 40.6147 175.6209 77 N 4.2207 8.9529 120.9795 54.3005 36.6143 173.4827 78 Y 4.4361 7.3410 120.0480 56.9111 39.7187 174.8463 79 T 4.1479 7.4480 115.2220 62.7337 70.9296 173.7860 80 S 4.0929 6.9255 112.6411 57.7184 65.8105 175.4608 81 G 3.8645 8.5399 107.2958 45.6804 0.0000 173.3618 82 F 4.4727 8.6638 119.0290 57.1729 39.7069 175.3271 83 R 4.2367 8.6938 121.9847 56.4611 30.6095 177.2800 84 N 4.8646 8.5809 118.5402 52.7946 39.9375 175.6123 85 C 4.7525 8.6461 116.1894 57.3490 38.1331 172.8819 86 D 5.4062 8.3580 121.3123 53.7600 41.7764 175.8787 87 R 4.9689 9.4065 122.0453 54.6135 35.4221 173.6784 88 I 5.1849 8.9891 122.3323 59.4731 40.5998 174.1476 89 L 5.5881 9.4870 129.5103 53.1716 44.1975 175.0483 90 Y 5.7000 9.2333 121.9322 55.3603 41.6678 174.9735 91 S 4.4875 8.5626 116.3288 55.3805 65.4053 175.3109 92 S 3.3397 7.8937 114.7505 60.3598 62.7200 174.7322 93 D 4.4335 7.2005 118.4019 52.0974 39.2569 175.8815 94 W 4.0000 6.6642 117.2329 58.3071 27.1792 174.2420 95 L 4.5482 8.1203 118.4193 54.6064 42.7428 176.3962 96 I 5.5059 8.8104 123.5191 59.9960 40.7698 174.2764 97 Y 5.4409 9.9870 123.6242 56.1278 42.5882 174.2766 98 K 5.3299 9.4145 119.0372 55.8799 36.7189 175.1248 99 T 4.8956 8.9792 115.0342 60.5004 70.9301 174.0141 100 T 5.0383 8.6436 115.4849 60.1124 69.6192 173.4184 101 D 4.6530 7.2235 120.0878 53.7890 40.1656 175.6543 102 C 3.4509 8.5471 112.1154 59.6471 37.8627 173.2535 103 Y 3.2205 7.1606 109.3014 59.0970 36.0973 172.0838 104 Q 4.2313 7.7185 121.5650 58.4680 29.1302 176.6396 105 T 4.6253 7.0306 104.9593 59.9865 71.8351 172.8032 106 F 5.2935 8.5399 120.5754 56.1288 42.8593 174.4491 107 T 4.7207 9.1345 118.4085 61.4437 71.7802 173.3182 108 K 3.5579 8.5678 128.2096 55.9817 32.4591 176.4002 109 I 4.5153 8.6669 118.9367 60.3967 39.2770 175.6704 110 R 4.1804 7.5797 125.6335 56.8065 31.0317 174.5549 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 4 I 8.01 4.23 1.81 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 1.50 1.06 0.95 0.00 0.00 5 N 8.32 4.89 0.00 2.85 2.83 0.00 0.00 5.82 6.34 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 6 T 8.53 4.63 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 1.20 0.00 0.00 7 F 8.37 4.27 0.00 3.15 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.33 4.57 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.96 3.69 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 0.00 0.00 0.00 10 V 8.14 3.66 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.06 0.00 0.00 11 A 8.16 4.07 1.53 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 0.00 0.00 12 D 8.13 4.20 0.00 2.84 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 13 Y 7.98 4.04 0.00 3.25 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 14 L 8.39 3.82 0.00 1.88 1.65 0.43 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.51 3.59 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 16 T 6.89 3.59 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 0.04 0.00 0.00 17 Y 7.70 4.19 0.00 2.62 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 18 H 7.79 3.55 0.00 3.25 3.56 0.00 5.70 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.30 4.70 0.00 2.06 1.88 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 1.62 7.81 20 L 8.21 4.16 0.00 1.62 1.39 0.76 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.73 0.00 2.28 1.30 0.00 3.51 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.03 0.00 22 D 8.34 4.42 0.00 2.61 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 23 N 8.02 4.61 0.00 2.78 2.87 0.00 0.00 6.11 7.57 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 24 Y 7.44 5.18 0.00 3.00 2.87 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 25 I 8.52 5.00 1.85 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 1.28 0.62 0.89 0.00 0.00 26 T 9.20 4.70 4.49 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 1.31 0.00 0.00 27 K 9.07 3.98 0.00 1.98 2.19 0.00 1.85 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.60 1.77 7.81 28 S 8.11 4.20 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.84 3.98 0.00 2.06 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 2.38 2.36 0.00 30 A 8.09 4.16 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 31 Q 8.60 4.15 0.00 2.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.87 0.00 32 A 8.01 4.11 1.44 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 0.00 0.00 33 L 7.73 4.40 0.00 1.88 1.77 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.83 4.17 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 0.00 35 W 8.25 4.37 0.00 3.15 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 36 V 9.15 3.76 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 0.79 0.00 0.00 0.89 0.00 0.00 37 A 7.59 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.86 4.49 0.00 3.85 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 39 K 7.84 4.16 0.00 1.84 1.76 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.33 7.81 40 G 7.46 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.80 4.93 0.00 2.88 2.98 0.00 0.00 5.72 6.67 0.00 0.00 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 L 8.53 3.97 0.00 1.48 1.75 0.43 0.30 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 43 A 8.11 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.89 4.45 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.73 4.01 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 0.85 0.00 0.00 1.12 0.00 0.00 46 A 8.46 4.64 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 47 P 0.00 4.39 0.00 2.16 2.09 0.00 3.90 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 1.98 1.98 0.00 48 G 8.89 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 0.00 0.00 0.00 49 K 7.70 4.68 0.00 1.63 1.60 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.49 7.81 50 S 8.45 4.57 0.00 2.86 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 51 I 7.86 4.41 1.82 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.23 0.81 0.00 0.00 52 G 9.16 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 0.00 0.00 0.00 0.00 53 G 9.84 4.37 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 0.00 54 D 8.07 4.72 0.00 2.71 2.66 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 55 I 8.34 4.27 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.89 0.00 0.00 56 F 8.72 4.80 0.00 3.00 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 57 S 8.12 3.93 0.00 3.81 3.74 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 58 N 6.47 3.71 0.00 2.81 2.76 0.00 0.00 7.29 7.65 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 *59 R 7.89 3.95 0.00 1.87 1.84 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 60 E 8.07 4.07 0.00 2.22 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 2.31 1.88 0.00 61 G 7.82 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 62 K 8.13 4.24 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.02 7.81 63 L 7.12 4.00 0.00 0.66 0.13 -0.70 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.20 0.00 2.38 2.24 0.00 2.84 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 65 G 8.43 4.03 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 0.00 0.00 0.00 66 K 7.86 4.33 0.00 1.75 1.56 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.36 7.81 67 S 8.57 4.42 0.00 4.00 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 0.00 68 G 8.95 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.32 4.18 0.00 1.62 1.86 0.00 3.28 0.00 0.00 2.57 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.13 0.00 70 T 8.45 4.64 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 71 W 8.59 5.05 0.00 3.53 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 5.25 0.00 0.67 0.96 0.00 2.92 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.37 0.00 73 E 8.95 5.57 0.00 2.19 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 0.00 2.45 2.40 0.00 74 A 8.76 5.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.31 5.03 0.00 2.72 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 76 I 8.48 4.45 1.34 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.85 -0.17 0.00 0.00 77 N 8.95 4.22 0.00 2.76 2.86 0.00 0.00 6.87 7.32 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 78 Y 7.34 4.44 0.00 3.07 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 79 T 7.45 4.15 4.05 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 1.08 0.00 0.00 80 S 6.93 4.09 0.00 3.83 3.63 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 81 G 8.54 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.66 4.47 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 4.24 0.00 1.97 1.93 0.00 3.13 0.00 0.00 3.55 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 84 N 8.58 4.86 0.00 2.87 2.97 0.00 0.00 6.00 7.68 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 85 C 8.65 4.75 0.00 2.87 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.36 5.41 0.00 2.94 2.56 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 87 R 9.41 4.97 0.00 1.70 1.96 0.00 3.56 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.00 88 I 8.99 5.18 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.90 1.02 0.00 0.00 89 L 9.49 5.59 0.00 1.64 1.42 1.21 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.23 5.70 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.56 4.49 0.00 3.03 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 92 S 7.89 3.34 0.00 3.64 3.69 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 93 D 7.20 4.43 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 94 W 6.66 4.00 0.00 3.57 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.12 4.55 0.00 1.53 2.01 1.25 0.95 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 96 I 8.81 5.51 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 1.19 0.00 0.00 97 Y 9.99 5.44 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.41 5.33 0.00 1.56 1.71 0.00 0.61 0.00 0.00 0.81 0.00 0.00 2.47 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.06 0.98 7.81 99 T 8.98 4.90 3.69 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 1.10 0.00 0.00 100 T 8.64 5.04 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 1.23 0.00 0.00 101 D 7.22 4.65 0.00 2.66 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 0.00 102 C 8.55 3.45 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.16 3.22 0.00 3.29 3.37 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 0.00 104 Q 7.72 4.23 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 105 T 7.03 4.63 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 106 F 8.54 5.29 0.00 2.92 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 0.00 107 T 9.13 4.72 4.17 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 1.15 0.00 0.00 108 K 8.57 3.56 0.00 1.06 1.42 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.03 0.66 7.81 109 I 8.67 4.52 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.84 0.00 0.00 110 R 7.58 4.18 0.00 1.89 1.84 0.00 3.50 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.