NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5672 8.4244 118.1105 52.2731 38.7288 173.5732 3 I 3.6172 8.3557 117.6122 63.7933 38.4805 176.4130 4 F 4.1153 9.2042 120.1017 60.6961 40.1082 177.7482 5 E 4.3385 8.4423 119.3790 56.5441 28.5991 178.9547 *7 L 4.2199 8.0055 121.0588 54.7869 43.9465 179.4324 8 R 3.7099 7.9747 118.0748 59.1064 29.6346 178.7474 9 I 3.7303 7.5045 118.7938 64.6512 37.3118 177.9460 10 D 4.5797 8.2351 117.6847 56.6570 40.7901 176.9964 11 E 4.3801 8.3307 117.3604 55.2812 31.2369 177.1838 12 G 3.7931 8.2114 107.8114 44.3553 0.0000 171.3765 13 L 4.8694 8.0565 119.2210 53.3642 44.7943 176.1315 14 R 4.6237 8.8297 124.2537 54.5854 34.0857 175.5866 15 L 4.5830 8.7558 122.2403 54.8675 42.8604 175.8317 16 K 5.0803 7.8382 119.8023 54.0066 35.3067 175.6177 17 I 4.1566 7.9934 126.1721 62.6861 37.7300 174.7655 18 Y 5.0418 9.2622 123.4850 55.7299 42.2051 173.5300 19 K 4.7910 8.6856 119.4343 55.0114 33.7060 177.2327 20 D 4.9043 8.7792 125.5498 52.5836 41.0865 176.8583 21 T 3.8615 8.4886 108.1987 64.8073 68.5715 174.7615 22 E 3.9502 8.1548 119.1201 56.3781 29.8435 176.7778 23 G 3.6293 8.1691 107.4452 45.9235 0.0000 172.7063 24 Y 4.7786 7.8334 116.9561 56.1151 40.1614 175.0318 25 Y 4.6973 7.8618 120.9083 58.8739 39.1591 175.4696 26 T 4.9980 9.1822 119.4355 62.6249 74.1151 172.1132 27 I 4.5524 8.5096 122.3909 60.0466 42.3165 175.4530 28 G 3.8813 9.3543 112.7303 47.3032 0.0000 176.4394 29 I 4.8819 7.7758 117.3563 59.0353 35.6684 175.2377 30 G 4.0235 8.4305 107.5837 46.2928 0.0000 171.0350 31 H 4.3952 8.2780 120.7293 54.2981 29.3394 174.3547 32 L 4.3245 8.0555 129.7348 55.0402 42.6852 176.3697 33 L 4.3032 8.6439 126.6086 56.7120 42.5048 176.9380 34 T 4.1680 7.1876 108.9438 61.5917 69.6723 173.2619 35 K 3.7134 8.4116 124.9629 56.4094 32.7458 177.4134 36 S 4.4856 7.8802 114.4926 57.1836 63.6659 172.7233 37 P 4.5677 0.0000 0.0000 63.9689 31.9570 176.8056 38 S 4.3695 7.8742 115.4144 57.9548 63.5053 174.3581 39 L 3.2106 8.4850 130.2050 57.6033 41.8301 178.6833 40 N 4.2451 7.9878 116.2211 55.8287 38.5716 176.6785 41 A 3.9357 8.0113 121.5954 55.2506 18.3951 179.2355 42 A 3.8666 7.5756 118.7222 55.4664 18.4611 180.0571 43 K 3.9268 8.1084 117.0727 59.4681 31.9697 179.6596 44 S 4.0639 8.2766 113.8987 61.4222 62.4590 176.0268 45 E 3.9382 8.5105 121.7579 59.2504 29.1927 179.0302 46 L 3.9638 8.5140 120.6790 58.4250 42.0710 178.9016 47 D 4.5516 8.1520 120.0959 56.5576 40.4888 178.5835 48 K 3.8775 8.0817 119.4410 59.4640 32.2512 178.3700 49 A 4.1776 7.6789 119.8334 54.7203 18.5301 179.1176 50 I 4.0335 7.8363 117.4318 61.6488 37.4747 176.6432 51 G 3.8075 9.8362 107.4928 45.6166 0.0000 172.7962 52 R 4.2649 7.4667 114.4980 55.4688 31.6761 172.8605 53 N 4.6087 8.5435 117.3154 52.5675 38.2141 174.0846 54 T 4.0953 9.4303 117.7508 61.6697 69.6361 175.4355 55 N 3.9985 9.0168 118.5105 54.5334 37.2866 174.6872 56 G 3.9557 8.3058 103.3832 44.7991 0.0000 173.6661 57 V 4.9519 7.6355 119.0089 60.8579 34.1310 174.5152 58 I 4.9209 8.3754 120.1456 59.1765 41.1793 174.6562 59 T 4.3473 8.9800 113.6893 60.4635 70.6374 175.9863 60 K 3.9923 8.6386 121.6940 59.7084 32.0956 178.3098 61 D 4.3941 8.0579 118.7975 57.2948 40.7384 178.3423 62 E 3.9671 8.1909 118.6684 59.3406 29.4003 179.1595 63 A 4.0457 8.0734 120.7088 55.4871 18.4771 179.6441 64 E 4.1640 8.4693 116.9694 59.1523 29.5699 179.5871 65 K 3.9926 8.2408 119.9628 59.5723 32.2913 178.7653 66 L 4.0275 8.2093 119.4888 57.8219 41.4339 179.2643 67 F 4.6835 8.7305 120.7718 61.6208 39.2762 176.8043 68 N 4.5162 8.5286 116.0052 56.6484 38.3961 177.3821 69 Q 4.0368 8.1113 118.9835 59.1850 28.8112 178.6882 70 D 4.4132 8.6929 120.3550 57.2169 40.8381 179.0763 71 V 3.5853 8.1896 119.1459 65.9317 31.4321 177.4164 72 D 4.3109 8.2954 117.7232 57.5280 40.9753 178.1604 73 A 3.9473 8.1877 120.8412 55.0498 18.3945 179.5298 74 A 3.8686 7.9425 119.3173 55.1910 18.4968 179.7935 75 V 3.3255 7.8126 116.7275 66.3921 31.6355 178.1719 76 R 3.9687 8.1989 117.8380 59.4321 29.6974 179.2102 77 G 3.5915 7.9405 104.4454 47.7447 0.0000 175.4405 78 I 3.7409 7.4529 122.0289 64.2525 36.9322 178.6048 79 L 3.9437 7.5246 118.0439 57.6906 41.4758 179.3860 80 R 4.1763 7.7164 116.5330 56.6772 30.3303 176.1553 81 N 4.5151 7.4754 118.1370 52.4790 39.4419 174.8385 82 A 4.1408 8.6522 128.9377 54.9811 18.7064 177.4377 83 K 4.3514 8.5924 114.6379 56.8974 32.6752 177.9682 *85 K 4.4017 8.1795 122.1399 55.9281 33.6622 175.9914 86 P 4.5746 0.0000 0.0000 65.4695 31.6157 178.3785 87 V 3.7612 7.7519 117.9472 66.0340 31.3982 177.1536 88 Y 4.0980 8.0110 117.5655 60.9250 38.8433 177.4194 89 D 4.5816 8.6883 118.7618 56.2817 40.8922 177.2618 90 S 4.5297 7.6552 114.6787 58.1148 64.4513 173.3157 *92 D 4.3022 7.7735 121.2898 53.5278 40.6931 175.8318 93 A 3.8685 8.2125 119.8672 55.1503 18.2322 179.9700 94 V 3.0933 7.5333 116.3092 66.0430 31.4272 178.4090 95 R 3.6965 7.6703 116.6658 59.0398 29.8681 178.6950 96 R 3.9019 7.7197 117.0147 59.1967 30.2378 178.4638 97 A 4.2398 7.8144 119.7106 55.0438 18.1690 180.6281 98 A 4.1940 7.2997 115.7687 52.8788 18.8431 178.5676 *100 I 4.1677 7.7598 123.5051 63.1230 39.2963 178.4318 101 N 4.4025 8.2046 116.2671 54.1693 38.4395 176.4303 *103 V 3.9600 7.8880 118.2966 62.2953 33.3035 177.1389 104 F 4.1279 8.6267 121.3737 61.2313 39.2140 175.4339 105 Q 4.2944 8.2938 118.6683 56.8956 29.1852 175.3596 *107 G 3.7678 7.6638 105.3751 45.0073 0.0000 173.5806 108 E 3.9032 8.7528 119.9932 59.6646 29.1156 179.9869 109 T 3.9432 7.8720 108.3495 64.9295 69.2282 176.2631 110 G 3.7670 7.8902 108.2068 47.1683 0.0000 175.8578 111 V 3.5751 8.1152 120.4484 65.5100 31.2793 177.6669 112 A 4.1634 8.1193 120.3410 54.9917 18.1154 178.3435 113 G 3.8640 7.7810 103.2503 46.2267 0.0000 173.8743 114 F 4.7468 8.3966 118.6309 57.2329 39.5908 178.2407 115 T 3.9918 8.4295 118.8825 67.1816 68.4238 175.3471 116 N 4.5088 8.2730 116.2965 56.6711 38.5870 178.4775 117 S 4.3253 7.5776 111.9612 58.9178 62.4535 175.4379 *119 R 4.0067 7.7867 119.1039 56.2323 30.1854 175.5558 *122 Q 4.1811 7.9514 120.4243 55.8426 30.4294 175.6881 123 Q 4.0910 7.7990 114.6617 55.4060 28.8484 176.7018 124 K 2.4800 7.2133 115.6156 57.1333 29.6521 177.9063 125 R 4.0788 6.3908 121.4289 54.1989 27.2268 176.7143 126 W 4.6136 7.4454 123.1050 60.0382 29.7188 177.4482 127 D 4.4821 8.2462 118.1615 57.5174 40.2300 178.6867 128 E 3.9846 8.1762 118.3883 59.2878 29.3664 178.9464 129 A 4.0575 8.0406 119.6704 55.2013 18.5026 179.2378 130 A 4.1942 8.0775 118.4566 55.2078 18.5061 179.8371 131 V 3.6971 7.5246 115.9845 65.7830 32.2731 179.4881 132 N 4.4048 8.5019 118.9429 53.1562 38.6915 175.9668 *134 A 3.8520 8.0250 122.0102 51.3246 20.9357 178.4819 135 K 4.3308 7.5683 117.0893 54.1940 30.8664 176.4745 136 S 4.6711 7.3709 115.2613 56.0560 67.4759 175.4598 137 R 4.0054 8.6786 122.5880 59.1359 29.8330 178.2121 138 W 4.5349 8.6231 128.0119 61.1389 30.3574 177.1766 139 Y 3.6372 8.3979 119.0497 60.7081 38.0029 177.6996 140 N 4.3731 8.0982 116.1224 56.0011 38.6760 177.0895 141 Q 4.2960 8.5318 119.5439 57.3424 30.6572 176.5366 142 T 4.5468 7.7262 109.6069 58.3636 68.7242 172.4073 143 P 3.6651 0.0000 0.0000 65.9903 31.8061 178.4204 144 N 4.1502 7.7903 115.8944 55.8333 38.4502 177.2578 145 R 3.7907 7.7469 119.3362 59.2089 30.2503 177.9750 146 A 3.1377 7.5698 120.5608 54.9481 18.0869 179.5817 147 K 3.8708 8.2475 117.0130 59.7708 32.2603 179.6606 148 R 3.7846 7.7142 118.0601 59.2698 29.7372 179.3599 149 V 3.8352 7.8962 116.7415 66.1377 31.6881 177.6934 150 I 4.0147 8.0646 118.8367 64.9515 37.1935 178.2802 151 T 4.1129 8.2521 116.6035 66.6682 68.1014 176.9731 152 T 4.1972 7.6799 114.5874 64.0988 67.9663 176.2395 *154 R 4.2395 7.8766 122.3720 56.4869 31.6036 176.6132 155 T 3.9274 8.0228 106.2271 61.7543 69.3729 175.7689 156 G 3.4862 7.9643 109.0742 45.7582 0.0000 172.5213 157 T 4.4322 7.4134 108.6129 59.4560 71.7578 173.5369 158 W 4.9902 8.3595 117.7710 56.7359 29.4655 178.1575 159 D 4.4929 8.1483 121.6121 57.5644 40.3051 178.6996 160 A 4.1036 8.1392 119.8640 54.1851 18.5011 177.2122 161 Y 4.4133 8.3883 112.3766 57.6164 38.7300 176.0802 162 K 4.2418 8.0103 125.2817 56.4915 32.3114 176.1584 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 2 N 8.42 4.57 0.00 2.88 2.89 0.00 0.00 6.00 6.93 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 3 I 8.36 3.62 1.87 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 1.24 0.33 0.69 0.00 0.00 4 F 9.20 4.12 0.00 3.31 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 5 E 8.44 4.34 0.00 1.82 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 2.30 2.39 0.00 *7 L 8.01 4.22 0.00 1.93 1.59 0.25 0.37 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 8 R 7.97 3.71 0.00 2.00 2.12 0.00 3.01 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 9 I 7.50 3.73 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.69 1.07 0.00 0.00 10 D 8.24 4.58 0.00 2.74 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 11 E 8.33 4.38 0.00 1.95 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 2.38 2.51 0.00 12 G 8.21 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 13 L 8.06 4.87 0.00 1.45 1.45 0.92 0.78 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 14 R 8.83 4.62 0.00 1.79 1.65 0.00 2.82 0.00 0.00 2.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.00 15 L 8.76 4.58 0.00 1.62 1.92 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.84 5.08 0.00 1.78 1.73 0.00 2.03 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.41 7.81 17 I 7.99 4.16 1.90 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 0.84 0.96 0.00 0.00 18 Y 9.26 5.04 0.00 3.10 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 19 K 8.69 4.79 0.00 1.65 1.66 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.64 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.91 1.36 7.81 20 D 8.78 4.90 0.00 2.92 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 21 T 8.49 3.86 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 22 E 8.15 3.95 0.00 1.24 1.51 0.00 0.00 0.00 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 2.29 0.00 23 G 8.17 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 0.00 0.00 0.00 24 Y 7.83 4.78 0.00 3.04 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 25 Y 7.86 4.70 0.00 3.20 2.83 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 26 T 9.18 5.00 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 1.17 0.00 0.00 27 I 8.51 4.55 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.53 0.98 0.00 0.00 28 G 9.35 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 29 I 7.78 4.88 1.44 0.00 0.00 0.51 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 1.33 0.04 0.00 0.00 30 G 8.43 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 31 H 8.28 4.40 0.00 3.36 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.06 4.32 0.00 1.55 1.40 0.90 0.86 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 33 L 8.64 4.30 0.00 1.82 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.19 4.17 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 1.32 0.00 0.00 35 K 8.41 3.71 0.00 1.50 1.40 0.00 1.51 0.00 0.00 1.32 0.00 0.00 2.62 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.83 7.81 36 S 7.88 4.49 0.00 4.00 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 37 P 0.00 4.57 0.00 2.28 2.27 0.00 3.82 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 2.04 2.00 0.00 38 S 7.87 4.37 0.00 3.95 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 39 L 8.49 3.21 0.00 1.60 1.53 0.41 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.99 4.25 0.00 2.74 2.80 0.00 0.00 7.03 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 41 A 8.01 3.94 1.36 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 0.00 0.00 0.00 42 A 7.58 3.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.93 0.00 1.86 1.83 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.33 7.81 44 S 8.28 4.06 0.00 3.95 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 45 E 8.51 3.94 0.00 2.16 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 2.50 2.60 0.00 46 L 8.51 3.96 0.00 1.75 1.83 0.93 1.29 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 47 D 8.15 4.55 0.00 2.86 2.76 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 48 K 8.08 3.88 0.00 1.74 2.07 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 49 A 7.68 4.18 1.36 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 0.00 0.00 0.00 50 I 7.84 4.03 1.94 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 1.58 0.87 0.94 0.00 0.00 51 G 9.84 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 0.00 0.00 0.00 52 R 7.47 4.26 0.00 1.95 2.02 0.00 2.96 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 53 N 8.54 4.61 0.00 2.67 2.80 0.00 0.00 6.90 7.70 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 54 T 9.43 4.10 4.48 0.00 0.00 0.00 0.00 0.00 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 55 N 9.02 4.00 0.00 2.84 2.91 0.00 0.00 7.04 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 8.31 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 0.00 0.00 0.00 57 V 7.64 4.95 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 0.89 0.00 0.00 1.00 0.00 0.00 58 I 8.38 4.92 2.00 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 1.43 0.89 0.93 0.00 0.00 59 T 8.98 4.35 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 1.22 0.00 0.00 60 K 8.64 3.99 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.54 7.81 61 D 8.06 4.39 0.00 2.74 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 62 E 8.19 3.97 0.00 2.26 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 2.35 0.00 63 A 8.07 4.05 1.43 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 0.00 0.00 64 E 8.47 4.16 0.00 2.33 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 0.00 2.49 2.42 0.00 65 K 8.24 3.99 0.00 1.97 2.06 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.21 4.03 0.00 1.95 1.67 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.73 4.68 0.00 3.13 3.41 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 0.00 68 N 8.53 4.52 0.00 3.03 2.93 0.00 0.00 7.08 7.62 0.00 0.00 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 Q 8.11 4.04 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 70 D 8.69 4.41 0.00 3.13 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 71 V 8.19 3.59 1.66 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 0.43 0.00 0.00 0.02 0.00 0.00 72 D 8.30 4.31 0.00 3.04 2.68 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 73 A 8.19 3.95 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 74 A 7.94 3.87 1.43 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 0.00 0.00 75 V 7.81 3.33 2.15 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 0.95 0.00 0.00 0.98 0.00 0.00 76 R 8.20 3.97 0.00 1.90 1.96 0.00 3.33 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 77 G 7.94 3.59 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 0.00 0.00 0.00 78 I 7.45 3.74 1.66 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.37 0.00 0.00 79 L 7.52 3.94 0.00 1.55 1.69 0.90 0.73 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 80 R 7.72 4.18 0.00 1.77 1.96 0.00 3.13 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 81 N 7.48 4.52 0.00 2.89 2.79 0.00 0.00 7.13 7.24 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 82 A 8.65 4.14 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 83 K 8.59 4.35 0.00 1.82 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *85 K 8.18 4.40 0.00 1.99 1.87 0.00 1.94 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.48 7.81 86 P 0.00 4.57 0.00 2.29 2.19 0.00 3.91 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 87 V 7.75 3.76 2.16 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 1.10 0.00 0.00 0.97 0.00 0.00 88 Y 8.01 4.10 0.00 2.96 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 89 D 8.69 4.58 0.00 2.83 2.76 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 90 S 7.66 4.53 0.00 4.06 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 *92 D 7.77 4.30 0.00 2.85 2.84 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 93 A 8.21 3.87 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 94 V 7.53 3.09 1.80 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 -0.09 0.00 0.00 0.55 0.00 0.00 95 R 7.67 3.70 0.00 1.61 1.77 0.00 2.50 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 96 R 7.72 3.90 0.00 1.77 1.76 0.00 2.86 0.00 0.00 2.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.43 0.00 97 A 7.81 4.24 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 4.19 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 *100 I 7.76 4.17 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.89 0.00 0.00 101 N 8.20 4.40 0.00 2.87 3.03 0.00 0.00 6.81 7.53 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 *103 V 7.89 3.96 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 0.87 0.00 0.00 0.87 0.00 0.00 104 F 8.63 4.13 0.00 3.12 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 0.00 105 Q 8.29 4.29 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 *107 G 7.66 3.77 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 0.00 0.00 0.00 108 E 8.75 3.90 0.00 1.98 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 0.00 2.37 2.35 0.00 109 T 7.87 3.94 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 1.20 0.00 0.00 110 G 7.89 3.77 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 0.00 0.00 0.00 111 V 8.12 3.58 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 0.91 0.00 0.00 0.77 0.00 0.00 112 A 8.12 4.16 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 0.00 113 G 7.78 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 0.00 114 F 8.40 4.75 0.00 3.19 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 0.00 115 T 8.43 3.99 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 1.22 0.00 0.00 116 N 8.27 4.51 0.00 2.71 2.88 0.00 0.00 6.91 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 0.00 117 S 7.58 4.33 0.00 4.11 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 0.00 *119 R 7.79 4.01 0.00 2.11 1.91 0.00 3.15 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 *122 Q 7.95 4.18 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.11 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 123 Q 7.80 4.09 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 5.77 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 124 K 7.21 2.48 0.00 1.63 1.59 0.00 1.79 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.01 1.28 7.81 125 R 6.39 4.08 0.00 1.88 1.91 0.00 3.02 0.00 0.00 3.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 126 W 7.45 4.61 0.00 3.40 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 0.00 127 D 8.25 4.48 0.00 2.81 2.76 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 0.00 128 E 8.18 3.98 0.00 2.17 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 0.00 2.39 2.37 0.00 129 A 8.04 4.06 1.49 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 0.00 0.00 0.00 130 A 8.08 4.19 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.52 3.70 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 0.82 0.00 0.00 1.00 0.00 0.00 132 N 8.50 4.40 0.00 2.88 2.99 0.00 0.00 7.11 8.38 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 *134 A 8.02 3.85 0.59 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 0.00 0.00 135 K 7.57 4.33 0.00 1.92 1.76 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.29 7.81 136 S 7.37 4.67 0.00 4.27 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 0.00 137 R 8.68 4.01 0.00 1.98 2.10 0.00 3.27 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 138 W 8.62 4.53 0.00 3.52 3.57 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 0.00 139 Y 8.40 3.64 0.00 3.07 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 0.00 140 N 8.10 4.37 0.00 2.83 2.90 0.00 0.00 7.09 7.07 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 0.00 141 Q 8.53 4.30 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.20 0.00 0.00 0.00 0.00 0.00 2.71 2.56 0.00 142 T 7.73 4.55 4.20 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 1.25 0.00 0.00 143 P 0.00 3.67 0.00 1.88 1.77 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 144 N 7.79 4.15 0.00 2.65 2.80 0.00 0.00 6.76 7.66 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 0.00 145 R 7.75 3.79 0.00 1.89 1.89 0.00 3.32 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 146 A 7.57 3.14 0.20 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 0.00 147 K 8.25 3.87 0.00 1.79 1.86 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.55 7.81 148 R 7.71 3.78 0.00 1.88 1.41 0.00 2.21 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.60 0.00 149 V 7.90 3.84 2.51 0.00 0.00 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 1.28 0.00 0.00 150 I 8.06 4.01 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.94 0.99 0.00 0.00 151 T 8.25 4.11 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 152 T 7.68 4.20 4.44 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 0.87 0.00 0.00 *154 R 7.88 4.24 0.00 1.93 1.99 0.00 3.28 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.91 0.00 155 T 8.02 3.93 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 1.21 0.00 0.00 156 G 7.96 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 0.00 0.00 0.00 0.00 157 T 7.41 4.43 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 1.17 0.00 0.00 158 W 8.36 4.99 0.00 3.41 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 0.00 159 D 8.15 4.49 0.00 2.77 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 0.00 160 A 8.14 4.10 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 0.00 161 Y 8.39 4.41 0.00 3.20 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 0.00 162 K 8.01 4.24 0.00 1.82 1.75 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.69 7.81 * Residues marked with a * may have inaccurate shift predictions.