NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3512 0.0000 0.0000 62.6605 32.7769 176.4141 6 T 4.1228 7.9669 110.6474 60.4258 71.1936 174.3823 7 I 3.6269 8.3336 121.9009 64.6711 37.5334 179.1438 8 N 4.2363 8.2034 117.1542 56.9065 38.6875 176.3452 9 Q 3.9854 8.4238 119.6019 59.1768 28.8738 179.0035 10 L 3.9742 7.8646 119.6647 58.0665 41.4799 179.9024 11 V 3.6620 7.7040 116.7485 65.7657 31.5000 177.1397 12 R 3.9390 8.5014 117.9724 57.2607 29.4807 177.7454 13 K 3.8200 6.6332 123.2998 59.8513 33.0333 178.9026 14 G 4.0226 7.7803 102.0332 45.1654 0.0000 172.7791 15 R 4.3069 8.1033 117.2875 54.9101 31.2845 176.0577 16 E 4.4497 8.3729 121.9065 53.9794 30.4318 175.6586 17 K 4.0600 8.4822 128.1662 56.0787 32.2604 176.0962 18 V 3.3001 7.6575 118.9043 60.2302 31.9943 172.2354 19 R 4.0745 8.0933 127.9181 55.9347 31.2568 175.9491 20 K 4.6112 8.2951 122.9730 54.6220 35.3651 175.8721 21 K 4.0473 8.4064 120.1530 55.4230 32.1980 176.2409 22 S 4.0120 8.7204 120.0682 58.2082 61.6946 174.6554 23 K 3.9490 8.4430 128.9898 58.1250 32.0183 177.1299 24 V 4.0626 7.3523 117.7631 61.9058 32.6574 172.6683 25 P 4.5331 0.0000 0.0000 62.0164 29.5220 175.8481 26 A 4.1276 7.8745 122.3382 52.5326 18.9597 178.0411 27 L 3.3699 6.9891 121.7780 55.9348 41.0030 175.6199 28 K 4.1818 9.2871 116.1522 61.6979 29.4704 176.1366 29 G 3.7123 7.6828 106.6276 46.4378 0.0000 174.5714 30 A 4.4310 7.8310 123.8606 50.3516 20.5075 176.4225 31 P 4.0268 0.0000 0.0000 65.3135 31.5067 176.9043 32 F 5.0943 7.6352 112.7396 56.1211 43.2593 173.7062 33 R 4.7402 8.6678 120.7663 54.6081 33.2450 174.5252 34 R 4.8826 8.5643 125.0785 55.9623 32.2191 175.0179 35 G 4.4564 8.7633 110.7263 45.6851 0.0000 171.6888 36 V 4.9667 8.5335 119.5613 60.7000 34.5506 174.7314 37 C 4.6110 8.9560 125.4925 60.7722 28.2494 172.3872 38 T 4.3871 9.2756 116.1754 63.3092 68.7696 174.0619 39 V 4.4684 7.6663 119.8203 61.2867 35.2015 174.3617 40 V 4.6812 8.2419 124.1941 61.4869 32.5257 173.4191 41 R 4.9128 8.4371 127.7190 54.1937 33.9774 172.9440 42 T 5.0347 8.3449 112.6743 60.9536 69.9139 174.5171 43 V 4.5319 8.6916 122.4520 60.1834 34.6972 174.7501 44 T 4.8819 8.1343 111.5915 59.4397 70.8762 172.6497 45 P 4.6913 0.0000 0.0000 61.7319 32.2265 177.0990 46 K 4.4794 8.1880 122.6140 55.6056 30.3749 176.9835 47 K 3.5454 8.3972 112.7796 58.9523 31.8475 173.8847 48 P 4.7621 0.0000 0.0000 62.5539 32.2735 175.1608 49 N 5.0109 7.0992 115.5903 52.5484 41.2613 173.6964 50 S 4.4399 7.4753 109.2928 57.6973 65.0887 174.5758 51 A 4.3644 7.7564 127.0941 52.7359 22.6915 175.8493 52 L 4.9720 8.2189 111.7446 53.0838 42.3141 175.9675 53 R 4.2343 9.0593 121.4707 55.9954 31.9015 175.9077 54 K 4.6089 8.6074 123.1515 55.9978 33.2591 176.3831 55 V 5.0004 8.6674 117.2616 59.7411 37.0355 174.3771 56 A 4.8893 8.9202 122.8066 50.4939 22.6551 175.7803 57 K 4.5560 8.6903 123.3124 56.2519 33.6296 176.3213 58 V 4.7344 9.0204 125.1755 60.9051 34.5967 174.2842 59 R 4.5062 9.1514 129.2336 55.6675 30.8132 176.0634 60 L 4.7273 8.0374 126.1246 54.3965 42.2958 177.7208 61 T 4.0600 8.2839 110.1520 64.3567 69.0942 174.9328 62 S 4.5771 8.0044 117.2370 58.5292 63.6336 176.7924 63 G 3.4421 8.4296 108.4447 48.2609 0.0000 174.7842 64 Y 4.1647 8.6581 117.6906 59.8151 38.2397 173.7291 65 E 5.6987 8.1848 116.0075 57.1467 32.5312 176.9557 66 V 4.8075 7.8528 119.2036 59.6051 35.7145 174.7907 67 T 4.6742 8.5831 112.9946 61.9663 70.2764 173.1681 68 A 5.1345 9.0291 124.4504 50.7488 23.3331 174.4920 69 Y 4.5972 8.8723 120.9618 56.9078 40.8419 174.8499 70 I 4.3209 7.0658 126.9685 58.8643 37.6976 174.0565 71 P 4.5612 0.0000 0.0000 63.2472 31.8533 177.2709 72 G 4.1820 8.9307 108.8967 45.2139 0.0000 172.3435 73 E 4.3731 8.6645 118.1648 55.6440 30.3610 176.4932 74 G 4.1683 9.8406 112.0923 46.0285 0.0000 172.3663 75 H 4.7455 7.9327 113.4011 55.4712 30.9492 172.9246 76 N 5.0299 8.4923 112.1301 52.6105 37.0541 174.2994 77 L 4.7403 7.9786 116.8088 53.7508 45.2050 176.4961 78 Q 4.7913 9.0587 122.4184 53.6354 32.0047 175.6223 79 E 4.1667 8.8314 118.3504 59.3172 29.5486 176.8321 80 H 4.9854 7.9608 113.1344 55.9083 31.2083 173.0448 81 S 4.7238 8.1230 116.1200 57.7461 63.9615 174.0449 82 V 4.2692 8.7800 126.3087 63.0948 32.5357 175.2162 83 V 4.9256 9.4102 126.2113 60.4281 35.3519 173.0915 84 L 4.9987 8.4694 123.4514 53.9407 44.2018 174.8828 85 I 4.8735 8.6730 125.8712 60.0272 39.5505 175.7967 86 R 4.3305 10.1780 128.2939 57.8269 31.3376 175.1962 87 G 3.7764 10.4825 110.7201 45.7736 0.0000 171.7317 88 G 3.9234 7.7202 112.2469 44.1567 0.0000 172.7819 89 R 3.9954 8.2761 122.7181 56.0136 30.3201 176.4112 90 V 4.0411 7.8412 116.7604 61.3547 32.6517 174.5560 91 K 4.6248 8.3657 131.3601 54.6307 29.9489 174.5253 92 D 4.5941 7.2281 129.5161 54.1501 43.9390 174.8894 93 L 4.5569 7.2500 120.6385 51.5783 41.2532 172.9900 94 P 4.3653 0.0000 0.0000 64.1695 31.9617 175.2296 95 G 4.3015 9.1691 114.3227 46.2523 0.0000 174.4213 96 V 3.8802 7.4462 119.3501 62.0824 31.7245 175.6823 97 R 4.5933 8.4911 123.2377 55.9129 33.5867 174.0323 98 Y 5.0415 7.9342 116.1451 56.7333 42.6390 173.7249 99 H 5.3723 9.0115 118.0999 54.2411 32.2984 173.5430 100 I 4.7078 8.5083 122.6108 60.5310 38.2747 176.3149 101 V 3.6801 8.8204 127.8793 62.6530 31.4254 175.0959 102 R 3.7440 8.3001 127.8246 58.2252 30.0228 177.5812 103 G 4.1343 8.7914 110.4372 44.1418 0.0000 172.9442 104 V 4.0267 6.9327 118.3806 61.7890 34.2820 176.3688 105 Y 3.7028 8.2628 123.6321 58.5847 36.0630 170.5926 106 D 4.4388 8.3714 121.3703 57.1996 41.1135 176.4832 107 A 4.0382 7.9752 123.3474 51.3315 18.2775 177.6367 108 A 4.3012 8.7091 127.1580 52.4803 19.7426 176.2714 109 G 4.1203 8.1901 107.0107 46.1393 0.0000 173.6302 110 V 4.4449 8.8515 123.8159 60.5770 33.7085 176.4846 111 K 3.8994 8.6972 129.9555 57.7610 32.4058 176.0411 112 D 4.5279 8.8458 125.7365 55.0276 37.9615 173.2613 113 R 4.3666 7.6281 119.5619 55.1454 30.7207 176.1563 114 K 4.6018 8.3981 122.9940 56.5014 35.3814 178.2204 115 K 4.5355 7.5805 124.8523 55.3965 31.0491 178.3979 116 S 4.1848 8.7650 124.1443 60.5386 62.8176 174.1189 117 R 4.8645 8.3731 121.2628 54.4922 32.1670 176.3146 118 S 4.1224 7.9962 112.8224 61.2221 62.7812 173.8942 119 K 3.9982 7.7974 119.1987 58.3715 32.4807 177.7027 120 Y 3.6822 8.2876 118.0206 57.6564 35.6954 169.8743 121 G 4.2964 7.5757 106.2383 45.3103 0.0000 173.4987 122 T 4.2730 7.4799 116.7038 61.7560 69.2378 175.6296 123 K 4.0947 8.4983 125.8167 55.9955 32.7899 176.4710 124 K 4.0993 8.3627 121.5306 55.8934 32.6467 174.2563 125 P 4.8739 0.0000 0.0000 60.8891 33.9153 173.5645 126 K 4.5599 8.1836 118.4700 54.9375 33.6588 175.8754 127 E 4.0169 8.7951 123.7844 56.7363 30.5472 176.3528 128 A 3.4788 7.7736 119.6919 52.8574 15.5525 176.6824 *129 A 4.1172 7.6563 126.2635 51.8360 18.9464 177.0477 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 5 P 0.00 4.35 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 7.97 4.12 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 7 I 8.33 3.63 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 1.52 0.81 0.91 0.00 0.00 8 N 8.20 4.24 0.00 2.75 2.82 0.00 0.00 7.09 7.12 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 9 Q 8.42 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 10 L 7.86 3.97 0.00 1.87 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.70 3.66 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 0.83 0.00 0.00 0.93 0.00 0.00 12 R 8.50 3.94 0.00 1.90 1.75 0.00 3.24 0.00 0.00 3.22 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 13 K 6.63 3.82 0.00 1.87 1.89 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 G 7.78 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 15 R 8.10 4.31 0.00 1.81 1.86 0.00 3.35 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 16 E 8.37 4.45 0.00 1.91 1.85 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 2.20 2.26 0.00 17 K 8.48 4.06 0.00 1.75 1.69 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.66 3.30 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.09 4.07 0.00 1.95 2.00 0.00 3.17 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 K 8.30 4.61 0.00 1.84 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.34 7.81 21 K 8.41 4.05 0.00 1.74 1.81 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 22 S 8.72 4.01 0.00 3.84 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 23 K 8.44 3.95 0.00 1.70 1.74 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.39 7.81 24 V 7.35 4.06 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 0.97 0.00 0.00 0.57 0.00 0.00 25 P 0.00 4.53 0.00 2.16 2.10 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 26 A 7.87 4.13 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 27 L 6.99 3.37 0.00 1.73 1.61 0.61 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.29 4.18 0.00 1.81 2.20 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 29 G 7.68 3.71 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 0.00 0.00 0.00 30 A 7.83 4.43 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 31 P 0.00 4.03 0.00 2.02 1.81 0.00 3.69 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 2.09 2.06 0.00 32 F 7.64 5.09 0.00 2.88 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 33 R 8.67 4.74 0.00 1.83 1.68 0.00 3.26 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 34 R 8.56 4.88 0.00 2.07 1.79 0.00 2.87 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 35 G 8.76 4.46 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 36 V 8.53 4.97 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 0.82 0.00 0.00 0.90 0.00 0.00 37 C 8.96 4.61 0.00 2.97 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 38 T 9.28 4.39 4.23 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 1.27 0.00 0.00 39 V 7.67 4.47 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 0.93 0.00 0.00 0.94 0.00 0.00 40 V 8.24 4.68 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 0.89 0.00 0.00 0.98 0.00 0.00 41 R 8.44 4.91 0.00 1.90 1.78 0.00 3.11 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 42 T 8.34 5.03 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 43 V 8.69 4.53 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 0.70 0.00 0.00 1.00 0.00 0.00 44 T 8.13 4.88 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 1.28 0.00 0.00 45 P 0.00 4.69 0.00 1.97 2.31 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 46 K 8.19 4.48 0.00 2.00 1.25 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.36 7.81 47 K 8.40 3.55 0.00 1.75 1.67 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 48 P 0.00 4.76 0.00 2.21 2.10 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 49 N 7.10 5.01 0.00 2.75 2.79 0.00 0.00 6.62 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 50 S 7.48 4.44 0.00 3.77 3.68 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 0.00 0.00 0.00 0.00 51 A 7.76 4.36 1.27 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 52 L 8.22 4.97 0.00 1.51 1.59 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.06 4.23 0.00 1.97 2.20 0.00 3.27 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 54 K 8.61 4.61 0.00 1.61 1.63 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.57 7.81 55 V 8.67 5.00 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 0.91 0.00 0.00 1.07 0.00 0.00 56 A 8.92 4.89 1.16 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 0.00 0.00 57 K 8.69 4.56 0.00 1.69 1.76 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.41 7.81 58 V 9.02 4.73 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 0.95 0.00 0.00 1.00 0.00 0.00 59 R 9.15 4.51 0.00 1.91 1.89 0.00 3.19 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 60 L 8.04 4.73 0.00 1.67 1.69 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.28 4.06 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 1.24 0.00 0.00 62 S 8.00 4.58 0.00 4.20 4.15 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 63 G 8.43 3.44 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 0.00 64 Y 8.66 4.16 0.00 2.89 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 65 E 8.18 5.70 0.00 1.93 1.79 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 2.11 2.11 0.00 66 V 7.85 4.81 2.17 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 0.76 0.00 0.00 0.60 0.00 0.00 67 T 8.58 4.67 4.31 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 1.25 0.00 0.00 68 A 9.03 5.13 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 69 Y 8.87 4.60 0.00 3.04 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 70 I 7.07 4.32 1.59 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.42 0.77 0.00 0.00 71 P 0.00 4.56 0.00 1.81 1.75 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 72 G 8.93 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 0.00 0.00 0.00 73 E 8.66 4.37 0.00 1.97 1.91 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 2.28 2.31 0.00 74 G 9.84 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 75 H 7.93 4.75 0.00 3.21 3.28 0.00 5.53 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.49 5.03 0.00 2.81 2.84 0.00 0.00 5.68 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 77 L 7.98 4.74 0.00 1.55 1.58 0.89 0.99 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 78 Q 9.06 4.79 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 79 E 8.83 4.17 0.00 1.97 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 0.00 2.34 2.60 0.00 80 H 7.96 4.99 0.00 2.96 3.23 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.12 4.72 0.00 3.83 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 82 V 8.78 4.27 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 0.69 0.00 0.00 0.85 0.00 0.00 83 V 9.41 4.93 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 0.73 0.00 0.00 0.95 0.00 0.00 84 L 8.47 5.00 0.00 1.40 1.37 0.55 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.67 4.87 2.06 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 1.06 1.27 0.94 0.00 0.00 86 R 10.18 4.33 0.00 1.88 2.17 0.00 3.38 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 87 G 10.48 3.78 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 0.00 0.00 0.00 88 G 7.72 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 89 R 8.28 4.00 0.00 1.92 1.86 0.00 2.98 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 90 V 7.84 4.04 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 0.82 0.00 0.00 0.57 0.00 0.00 91 K 8.37 4.62 0.00 1.69 1.71 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.48 7.81 92 D 7.23 4.59 0.00 2.72 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 93 L 7.25 4.56 0.00 1.76 1.62 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.37 0.00 2.04 2.04 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 95 G 9.17 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 0.00 0.00 0.00 0.00 96 V 7.45 3.88 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 1.06 0.00 0.00 1.01 0.00 0.00 97 R 8.49 4.59 0.00 1.71 1.38 0.00 3.01 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.79 0.00 98 Y 7.93 5.04 0.00 2.89 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 99 H 9.01 5.37 0.00 3.20 3.23 0.00 5.80 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 0.00 100 I 8.51 4.71 2.03 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 1.13 0.52 0.89 0.00 0.00 101 V 8.82 3.68 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 0.67 0.00 0.00 0.92 0.00 0.00 102 R 8.30 3.74 0.00 1.77 1.83 0.00 3.46 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 103 G 8.79 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 0.00 104 V 6.93 4.03 1.50 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 -0.25 0.00 0.00 0.63 0.00 0.00 105 Y 8.26 3.70 0.00 3.38 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 0.00 106 D 8.37 4.44 0.00 2.83 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 0.00 107 A 7.98 4.04 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 0.00 108 A 8.71 4.30 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 0.00 109 G 8.19 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 0.00 0.00 0.00 0.00 110 V 8.85 4.44 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 0.99 0.00 0.00 1.20 0.00 0.00 111 K 8.70 3.90 0.00 1.81 1.73 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 112 D 8.85 4.53 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 0.00 113 R 7.63 4.37 0.00 1.66 1.87 0.00 2.97 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 114 K 8.40 4.60 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.39 7.81 115 K 7.58 4.54 0.00 1.66 1.43 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.36 7.81 116 S 8.77 4.18 0.00 3.89 3.91 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 0.00 117 R 8.37 4.86 0.00 1.76 2.10 0.00 3.38 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 118 S 8.00 4.12 0.00 3.87 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 0.00 119 K 7.80 4.00 0.00 2.24 1.62 0.00 1.91 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.63 7.81 120 Y 8.29 3.68 0.00 3.29 3.18 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 0.00 121 G 7.58 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 0.00 0.00 0.00 0.00 122 T 7.48 4.27 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 1.27 0.00 0.00 123 K 8.50 4.09 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.38 7.81 124 K 8.36 4.10 0.00 1.69 1.70 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 125 P 0.00 4.87 0.00 2.19 2.04 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 126 K 8.18 4.56 0.00 1.70 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.60 7.81 127 E 8.80 4.02 0.00 1.99 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 0.00 2.28 2.24 0.00 128 A 7.77 3.48 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 *129 A 7.66 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.