NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6894 8.2827 118.1523 52.2011 38.9089 174.5371 2 R 3.7077 8.3544 120.2812 58.9100 29.7346 177.2101 3 W 3.5594 8.9863 129.0455 60.4974 31.1580 177.3919 4 Q 4.0945 8.6821 118.1347 58.7991 28.0967 178.4539 5 F 4.4029 8.2962 121.8386 61.1988 39.4242 177.2368 6 K 3.4564 7.8296 118.2029 59.5255 31.6482 179.0785 7 N 4.2677 8.0411 116.7925 56.4866 38.3983 177.4447 8 M 4.0799 8.4696 120.6654 58.3992 31.9779 178.8690 9 I 3.5654 7.6337 120.3033 64.0900 36.9435 178.5998 10 S 4.2835 7.7848 114.5498 61.1481 62.9804 175.4768 11 C 4.4070 8.1963 122.0692 59.7143 43.5523 175.1357 12 T 4.0657 7.7104 109.1771 62.3929 70.1020 175.0545 13 V 4.4685 8.0404 121.2410 60.5737 31.1912 173.9993 14 P 4.4013 0.0000 0.0000 64.4047 32.2374 178.6310 15 S 4.0742 7.5629 114.7824 60.7076 63.2293 174.2123 *17 R 4.5266 7.5345 118.1680 55.9778 31.1817 174.5965 18 S 4.5618 8.1425 113.8208 57.0112 63.5528 175.0431 19 W 4.4795 8.8521 123.9090 59.7915 27.5197 178.4276 20 W 3.5298 6.9710 119.1722 59.3931 28.0676 177.9853 21 D 4.3227 7.9350 118.0990 56.3545 40.1174 177.1244 22 F 4.6637 8.2443 115.8231 57.1639 39.4458 176.3845 23 A 4.4981 8.2346 125.2320 54.1528 18.9775 177.2770 24 D 5.0803 7.6974 113.0760 53.6409 42.6854 171.8922 25 Y 4.8616 8.6288 123.8741 55.9739 42.4190 176.4087 26 G 3.9787 8.2077 116.2118 46.0997 0.0000 172.2230 27 C 4.4183 9.0685 114.0121 58.2500 40.8753 174.5618 28 Y 4.2405 8.6592 115.3852 57.9242 39.9158 175.1553 29 C 4.5695 8.4381 119.0615 57.5668 40.5191 172.5891 30 G 4.4968 9.1952 109.7276 44.1405 0.0000 173.1997 31 R 3.8310 8.5334 118.0612 57.7892 30.3356 178.3027 32 G 3.8836 8.6152 110.7709 44.9361 0.0000 172.4509 33 G 4.5681 7.7201 113.1968 45.9515 0.0000 171.7691 34 S 4.3044 7.2172 115.2059 58.5079 65.2443 176.5330 35 G 3.8372 8.5487 108.4139 45.8898 0.0000 172.0209 36 T 4.5024 8.2337 115.4952 61.2917 69.5623 173.1524 37 P 4.7111 0.0000 0.0000 63.3756 31.7616 177.0269 38 V 3.8595 9.2660 116.6815 63.4170 32.1767 175.3163 39 D 4.5372 7.3517 116.9333 51.9737 41.8961 175.5677 40 D 4.3295 8.6527 117.9190 57.7699 40.7995 178.2441 41 L 3.9473 8.0190 120.3689 58.3941 41.9659 178.4367 42 D 4.5484 8.8607 117.9424 57.3845 41.1396 178.4186 43 R 3.8432 8.0257 118.8401 59.2856 29.9421 178.1742 44 C 4.3517 8.3054 116.3677 60.4845 36.7833 175.6922 45 C 4.4689 8.2107 117.5430 59.9049 40.3641 175.8246 46 Q 3.6397 8.2805 121.5018 59.2014 28.4465 178.7059 47 V 3.5735 7.8762 119.2051 66.0361 31.4197 177.5258 48 H 3.9815 8.4799 118.4598 59.2854 29.6263 177.0081 49 D 4.2913 8.6529 121.0864 57.3937 40.6198 178.5526 50 N 4.3304 8.2665 117.0438 56.3071 38.4509 176.5977 51 C 4.2350 8.3804 120.0836 60.0187 44.9703 175.2197 52 Y 4.1637 8.1661 118.5550 61.1393 37.1562 178.2674 53 N 4.3537 8.2043 116.7090 56.6342 39.0881 176.9742 54 E 4.1044 8.4189 119.5309 59.3368 29.5866 179.2660 55 A 4.0276 8.4225 121.2054 55.0532 18.2057 179.1699 56 E 4.2502 8.1571 115.5724 58.4466 29.6000 179.0224 57 K 4.1842 7.6823 118.0013 57.5982 32.5340 177.3119 58 I 3.8615 7.3391 121.8168 60.4007 37.5386 175.3325 59 S 4.1944 8.6110 120.4099 60.0543 62.3457 174.2946 60 G 3.8285 8.9710 115.6272 45.4619 0.0000 173.2695 61 C 4.3960 8.0916 120.4152 55.7720 42.9465 172.9898 62 N 4.8594 8.3817 125.8554 50.4782 37.3090 173.2431 63 P 3.9270 0.0000 0.0000 65.3242 31.6715 179.2849 64 R 3.9690 7.7650 116.2052 57.8284 30.2501 177.7913 65 F 4.4530 7.0176 112.6256 57.4728 40.9507 175.9054 66 R 3.9942 8.1657 121.9279 56.3346 29.9959 175.7492 67 T 4.1750 8.4559 123.0439 62.8490 69.2289 173.7685 68 Y 4.8776 7.5993 124.4184 55.1563 40.8936 174.2637 69 S 5.0676 9.7247 114.8211 56.8026 64.5176 172.5223 70 Y 5.3824 8.4776 123.9603 56.0583 41.3256 173.4264 71 E 4.4066 9.4644 117.2330 54.5234 33.0923 173.8452 72 C 5.2660 8.7344 122.8846 55.4274 46.6212 173.2419 73 T 4.3402 9.0028 124.3820 62.1498 69.7666 174.3575 74 A 3.8536 9.6844 132.3548 53.1757 16.0357 177.7284 75 G 3.9726 8.3536 106.9293 46.4218 0.0000 173.6462 76 T 4.5260 7.7880 117.1968 61.8445 70.1065 173.2929 77 L 5.3690 8.3525 125.1820 53.4376 43.9811 176.0063 78 T 4.6745 8.9282 119.5857 61.9537 72.3987 172.4355 79 C 4.9759 8.8999 124.3804 56.6878 41.1699 173.8822 80 T 4.3654 8.5480 114.6714 60.7065 69.5174 175.3861 81 G 3.7161 8.7455 110.4574 47.6761 0.0000 174.0216 82 R 4.4451 7.7166 117.2132 56.4349 29.7391 176.0954 83 N 5.0240 7.7441 114.3751 52.0126 41.7484 175.6897 84 N 4.6883 8.4809 120.0986 52.0362 40.1398 175.6448 85 A 3.9508 8.4521 120.9228 55.5919 18.2499 180.1938 86 C 4.1464 8.2060 116.0726 59.8471 41.5699 175.4016 87 A 4.0087 8.8186 122.5567 55.1714 17.9704 179.4846 88 A 3.9055 8.3722 119.6057 55.3723 18.4700 180.1177 89 S 4.0085 8.0714 113.6939 61.6839 62.8919 177.1730 90 V 3.5233 8.0390 121.3138 65.8941 31.1979 177.0513 91 C 2.7185 8.1386 118.6765 59.3779 44.0362 175.1265 92 D 4.0874 7.8261 119.3266 57.3562 40.7593 177.3596 93 C 4.1082 8.0339 116.9787 60.3101 41.3819 175.9912 94 D 3.6352 7.9271 120.1753 56.9962 40.3375 178.8841 95 R 3.7208 7.9840 119.4734 59.4868 30.0543 178.6513 96 L 3.9228 7.9905 118.7015 57.5693 41.5395 179.4441 97 A 3.6892 7.9495 120.6345 54.9472 18.2948 179.5894 98 A 3.4556 7.8526 119.3377 54.9710 18.1236 180.0411 99 I 3.6123 7.3911 117.7513 64.5021 37.4826 177.3606 100 C 4.4064 8.2963 119.5826 59.8529 38.7716 175.6375 101 F 4.3240 8.6180 119.4747 60.6850 38.2730 177.4958 102 A 4.2775 8.0477 118.9811 54.2478 18.2203 178.9296 103 G 3.8001 7.9205 102.3818 44.4160 0.0000 173.6688 104 A 4.6829 7.1644 123.8522 49.8686 20.4394 175.3008 105 P 4.3977 0.0000 0.0000 62.5693 32.0696 175.3362 106 Y 4.2359 8.5525 123.7408 55.8901 39.8248 174.0544 107 N 4.8796 8.5455 126.5547 51.6939 40.0709 174.9411 108 D 4.5417 8.8571 126.7082 57.5372 41.0809 178.0415 109 N 4.6349 8.3456 114.2299 54.4011 38.7646 175.1516 110 N 4.4677 7.9905 115.7146 52.6687 39.3293 173.4359 111 Y 4.3527 7.5233 120.3241 57.8058 39.9903 174.7785 112 N 3.7020 8.1978 126.1638 54.3827 37.5668 172.8762 113 I 3.8963 6.9557 111.0428 59.8864 39.5783 176.4259 114 D 4.4529 8.2031 119.2217 53.6396 40.5410 176.0698 115 L 3.9275 8.1990 127.8808 57.5288 41.5987 178.8566 116 Q 3.8955 8.0394 117.8573 59.3002 29.1106 177.9134 117 A 4.1431 8.1943 120.4333 54.1211 18.5709 178.2105 118 R 4.4735 7.9155 113.7368 56.3712 31.8784 176.0020 119 C 4.9697 8.3213 116.2004 56.6350 41.0455 173.8695 120 N 4.5345 8.2631 122.5924 53.4523 38.3967 175.0610 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 N 8.28 4.69 0.00 2.99 2.92 0.00 0.00 5.73 6.77 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 2 R 8.35 3.71 0.00 1.80 1.85 0.00 3.08 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 3 W 8.99 3.56 0.00 3.38 3.23 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 4 Q 8.68 4.09 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 5 F 8.30 4.40 0.00 3.20 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 6 K 7.83 3.46 0.00 1.10 1.02 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.84 7.81 7 N 8.04 4.27 0.00 2.97 2.99 0.00 0.00 7.09 8.22 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 8 M 8.47 4.08 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 9 I 7.63 3.57 1.73 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.02 0.57 0.00 0.00 10 S 7.78 4.28 0.00 4.04 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 11 C 8.20 4.41 0.00 3.15 3.42 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 12 T 7.71 4.07 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 1.21 0.00 0.00 13 V 8.04 4.47 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 1.13 0.00 0.00 0.94 0.00 0.00 14 P 0.00 4.40 0.00 2.22 2.28 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 15 S 7.56 4.07 0.00 4.13 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 0.00 *17 R 7.53 4.53 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.40 0.00 18 S 8.14 4.56 0.00 3.81 3.61 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 19 W 8.85 4.48 0.00 3.40 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 20 W 6.97 3.53 0.00 2.99 2.92 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 21 D 7.93 4.32 0.00 2.11 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 0.00 0.00 0.00 22 F 8.24 4.66 0.00 3.11 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.23 4.50 1.56 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 24 D 7.70 5.08 0.00 2.69 2.33 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 25 Y 8.63 4.86 0.00 3.18 2.67 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 0.00 0.00 0.00 0.00 26 G 8.21 3.98 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 0.00 27 C 9.07 4.42 0.00 3.16 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 28 Y 8.66 4.24 0.00 3.26 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 29 C 8.44 4.57 0.00 3.46 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 30 G 9.20 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.53 3.83 0.00 1.89 1.99 0.00 3.34 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 32 G 8.62 3.88 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 0.00 0.00 0.00 33 G 7.72 4.57 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 0.00 0.00 0.00 34 S 7.22 4.30 0.00 3.88 3.72 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 35 G 8.55 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 36 T 8.23 4.50 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 1.24 0.00 0.00 37 P 0.00 4.71 0.00 2.05 2.01 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.89 0.00 38 V 9.27 3.86 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 0.71 0.00 0.00 0.84 0.00 0.00 39 D 7.35 4.54 0.00 2.88 2.79 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 40 D 8.65 4.33 0.00 2.82 2.79 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 41 L 8.02 3.95 0.00 1.64 1.69 0.60 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.86 4.55 0.00 3.18 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 43 R 8.03 3.84 0.00 2.13 1.95 0.00 3.18 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 1.60 1.80 0.00 44 C 8.31 4.35 0.00 3.46 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.47 0.00 3.33 3.47 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 46 Q 8.28 3.64 0.00 1.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.01 1.33 0.00 47 V 7.88 3.57 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 0.99 0.00 0.00 0.97 0.00 0.00 48 H 8.48 3.98 0.00 3.19 3.39 0.00 5.64 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 49 D 8.65 4.29 0.00 2.78 2.79 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 50 N 8.27 4.33 0.00 2.88 2.85 0.00 0.00 6.63 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 51 C 8.38 4.23 0.00 3.06 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 52 Y 8.17 4.16 0.00 3.03 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 53 N 8.20 4.35 0.00 2.88 2.92 0.00 0.00 7.09 8.34 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 54 E 8.42 4.10 0.00 2.14 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 2.50 2.46 0.00 55 A 8.42 4.03 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 56 E 8.16 4.25 0.00 2.11 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 2.31 2.47 0.00 57 K 7.68 4.18 0.00 1.88 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.66 7.81 58 I 7.34 3.86 1.99 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 1.17 0.63 0.90 0.00 0.00 59 S 8.61 4.19 0.00 3.82 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 60 G 8.97 3.83 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 0.00 0.00 0.00 61 C 8.09 4.40 0.00 2.96 3.19 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 0.00 62 N 8.38 4.86 0.00 2.88 2.95 0.00 0.00 7.07 8.03 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 63 P 0.00 3.93 0.00 0.99 0.52 0.00 3.42 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 64 R 7.76 3.97 0.00 1.51 1.22 0.00 3.10 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 65 F 7.02 4.45 0.00 3.01 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 66 R 8.17 3.99 0.00 1.75 1.87 0.00 3.33 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 67 T 8.46 4.18 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 1.15 0.00 0.00 68 Y 7.60 4.88 0.00 3.19 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 69 S 9.72 5.07 0.00 3.92 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 70 Y 8.48 5.38 0.00 3.18 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 71 E 9.46 4.41 0.00 1.94 1.96 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 2.28 2.24 0.00 72 C 8.73 5.27 0.00 3.18 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 73 T 9.00 4.34 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 1.21 0.00 0.00 74 A 9.68 3.85 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 75 G 8.35 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 76 T 7.79 4.53 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 1.22 0.00 0.00 77 L 8.35 5.37 0.00 1.51 1.60 0.87 1.03 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 78 T 8.93 4.67 4.39 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 1.23 0.00 0.00 79 C 8.90 4.98 0.00 2.81 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 80 T 8.55 4.37 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 1.24 0.00 0.00 81 G 8.75 3.72 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 0.00 0.00 0.00 82 R 7.72 4.45 0.00 1.95 2.03 0.00 2.99 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 83 N 7.74 5.02 0.00 2.71 2.85 0.00 0.00 7.22 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 84 N 8.48 4.69 0.00 2.92 3.00 0.00 0.00 6.13 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 85 A 8.45 3.95 1.33 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 86 C 8.21 4.15 0.00 2.99 3.24 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 0.00 87 A 8.82 4.01 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 88 A 8.37 3.91 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 89 S 8.07 4.01 0.00 4.03 3.88 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 90 V 8.04 3.52 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 1.01 0.00 0.00 0.86 0.00 0.00 91 C 8.14 2.72 0.00 2.35 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 92 D 7.83 4.09 0.00 2.90 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 93 C 8.03 4.11 0.00 3.23 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 94 D 7.93 3.64 0.00 2.55 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 95 R 7.98 3.72 0.00 1.74 1.98 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 96 L 7.99 3.92 0.00 1.62 1.62 0.90 0.87 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 97 A 7.95 3.69 0.97 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 98 A 7.85 3.46 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 99 I 7.39 3.61 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.89 0.00 0.00 100 C 8.30 4.41 0.00 3.12 3.28 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 0.00 101 F 8.62 4.32 0.00 2.92 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 0.00 102 A 8.05 4.28 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 0.00 103 G 7.92 3.80 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 0.00 0.00 0.00 104 A 7.16 4.68 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 0.00 105 P 0.00 4.40 0.00 2.10 2.04 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 106 Y 8.55 4.24 0.00 2.86 2.79 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 0.00 107 N 8.55 4.88 0.00 2.78 2.65 0.00 0.00 6.76 7.88 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 0.00 108 D 8.86 4.54 0.00 2.80 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 0.00 109 N 8.35 4.63 0.00 2.84 2.81 0.00 0.00 6.87 7.93 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 0.00 110 N 7.99 4.47 0.00 2.15 1.68 0.00 0.00 6.55 7.28 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 0.00 111 Y 7.52 4.35 0.00 3.01 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 0.00 112 N 8.20 3.70 0.00 1.44 2.37 0.00 0.00 7.27 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 0.00 113 I 6.96 3.90 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.74 0.00 0.00 114 D 8.20 4.45 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.93 0.00 1.68 1.64 0.87 0.84 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 0.00 116 Q 8.04 3.90 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 117 A 8.19 4.14 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 0.00 118 R 7.92 4.47 0.00 1.90 1.91 0.00 3.06 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 119 C 8.32 4.97 0.00 2.99 3.13 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 0.00 120 N 8.26 4.53 0.00 2.69 2.70 0.00 0.00 6.98 7.56 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 * Residues marked with a * may have inaccurate shift predictions.