NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4077 8.0333 110.9427 60.5825 70.3758 174.5667 3 P 4.0856 0.0000 0.0000 64.9024 31.0590 177.5806 4 A 3.9673 7.8679 119.9143 55.1315 18.7838 179.5501 5 V 3.1194 7.4852 116.3245 66.0096 31.5447 178.3188 6 K 3.9721 8.1421 118.2634 59.3552 31.8321 179.0758 7 L 3.9357 7.9746 120.5777 58.1042 42.0342 179.0748 8 L 3.9572 7.5744 118.5479 57.8134 41.5877 179.3848 9 E 4.1466 8.3120 118.5956 59.3010 29.1906 179.2752 10 K 4.0127 8.2720 119.1533 59.1894 32.3132 177.6168 11 N 4.6858 7.9624 113.8908 51.8578 39.2151 174.9939 12 K 3.8800 7.7229 118.4854 57.6914 30.2361 175.2844 13 I 4.5244 7.7052 117.8590 59.6177 39.2589 176.5087 14 S 4.4383 8.5442 121.0177 58.4396 63.5728 173.0836 15 F 4.9450 7.4233 117.4134 56.3520 40.9260 172.6921 16 Q 4.3944 9.1515 119.6407 54.3926 31.7748 174.1358 17 I 4.7712 8.5455 127.1651 61.3430 38.6994 174.9740 18 H 5.0998 9.4568 122.6184 54.3023 32.0124 172.7781 19 T 5.2972 8.7380 113.1837 60.4009 71.4340 172.8538 20 Y 4.9633 7.8691 119.5054 55.8459 41.1742 174.1464 21 E 4.2119 8.8918 122.0551 56.2054 30.5784 175.4389 22 H 4.9659 8.2355 118.9045 53.7340 32.0335 172.4205 23 D 4.6065 8.3639 119.8376 52.0839 40.9246 175.2133 24 P 4.3109 0.0000 0.0000 65.3819 31.5777 178.0837 25 A 4.1046 8.1157 120.5855 54.4768 18.5068 177.7264 26 E 4.3744 7.7878 114.5270 55.9436 30.6151 176.0345 27 T 4.1763 8.0147 117.8089 62.2138 69.5342 173.9323 28 N 4.5905 8.1726 123.7031 52.0818 40.0247 174.7791 29 F 4.7378 8.5243 123.5164 57.0207 39.5848 175.6981 30 G 3.9463 8.3572 111.3591 46.0562 0.0000 175.3720 31 D 4.6275 8.2541 118.6702 53.4129 39.7923 177.5314 32 E 3.9023 8.2496 122.4457 59.8121 29.5995 179.0041 33 V 2.7502 7.4753 118.3934 64.0246 31.4614 178.3789 34 V 3.3215 7.3333 118.6162 65.7621 31.2240 178.0147 35 K 3.8947 7.4541 116.1480 59.4902 32.0142 179.3091 36 K 4.1084 7.7107 117.3820 58.5211 32.0479 178.4657 37 L 4.5329 7.6878 115.9672 53.0065 42.8114 176.2849 38 G 3.7848 7.8570 106.8029 46.5133 0.0000 173.9565 39 L 4.2403 7.3540 117.2356 52.6477 43.6049 176.4937 40 N 4.4467 8.2743 119.2214 52.5737 38.8873 174.0991 41 P 4.1751 0.0000 0.0000 65.2898 31.4989 177.1963 42 D 4.3768 8.3856 118.3977 56.1723 41.1475 176.7072 43 Q 3.6390 8.0095 119.1539 55.5031 29.7205 174.2325 44 V 4.9404 7.2390 117.9846 62.1240 33.8046 173.6694 45 Y 5.1835 9.4255 125.8558 56.0357 41.1142 175.0538 46 K 4.7550 9.0577 123.0174 56.0467 35.4827 175.4260 47 T 5.0949 8.4524 118.1552 62.0030 70.5436 173.5493 48 L 4.8479 9.0750 127.0482 52.8236 44.8983 175.6498 49 L 5.0138 8.5893 123.2876 53.8179 43.1640 176.3846 50 V 4.7989 8.7934 115.8937 59.5008 35.6851 174.3051 51 A 4.9514 8.9958 125.7028 50.7641 20.9661 176.3383 52 V 4.1702 9.0162 123.1731 62.1875 33.3134 175.8921 53 N 4.2104 9.8226 125.4909 54.5132 36.6049 175.3793 54 G 3.8661 8.3488 102.5991 45.4708 0.0000 173.1599 55 D 4.8124 7.7221 120.2486 52.3031 43.4473 176.3965 *57 K 4.1535 8.3358 116.7869 56.0229 33.9503 175.2117 58 H 4.8293 8.1953 120.0296 54.7291 30.5736 173.2306 59 L 5.4484 8.5234 124.7307 53.0148 44.8167 175.4248 60 A 4.8148 8.8556 121.9659 50.5722 23.6890 174.8349 61 V 4.8459 8.9928 118.3302 61.1016 34.7767 174.1100 62 A 5.2044 9.1624 129.1621 50.0713 22.0704 174.9328 63 V 4.8793 8.8442 122.7363 61.4900 33.7644 174.4001 64 T 5.2169 8.9702 121.8555 59.6160 71.6793 171.2220 65 P 4.2039 0.0000 0.0000 62.5499 32.0228 178.1446 66 V 3.6577 8.4269 116.3487 63.6842 31.6309 177.6082 67 A 4.1309 7.8192 121.6448 53.9748 18.5514 176.6275 68 G 4.0767 7.5883 100.7592 45.6440 0.0000 171.7724 69 Q 4.7534 9.1963 119.6205 54.1369 32.1554 174.3535 70 L 4.6146 8.2714 121.8542 54.2390 43.7330 175.6691 71 D 4.6274 9.0755 126.6877 52.9954 41.1879 176.7316 72 L 4.0567 8.5657 127.6245 57.7442 41.6801 179.5655 73 K 4.0043 8.0936 118.0384 59.2966 32.0666 179.4247 74 K 4.0313 8.2932 118.6847 59.1809 31.9200 179.6345 75 V 3.5765 7.9382 118.4891 65.8754 31.3957 177.8639 76 A 3.9696 8.1981 120.7085 55.1349 18.1459 179.4603 77 K 3.8325 8.2538 117.8743 59.7060 32.0366 178.9107 78 A 4.0707 7.9444 119.9837 54.5975 18.3899 178.7676 79 L 4.3349 7.7992 115.4834 54.5628 42.0514 177.6911 80 G 3.8002 7.5870 106.3537 45.9936 0.0000 173.4188 81 A 4.6417 7.8320 121.7663 50.0966 20.5914 178.7437 82 K 4.1613 8.9316 120.4168 59.2810 32.4686 177.7948 83 K 4.5471 7.5269 114.6244 56.3310 35.2968 174.7722 84 V 4.8471 8.2765 113.5546 61.7349 35.5918 175.1107 85 E 4.6759 9.3231 120.0215 57.2095 33.6472 176.3211 *87 A 4.1208 9.0421 115.6217 51.1761 20.7931 177.4481 88 D 4.6000 8.2412 119.4154 53.5947 41.6442 176.9324 89 P 4.4669 0.0000 0.0000 62.8963 31.3326 178.7856 *91 V 3.9294 8.0488 119.1699 62.9689 33.4012 177.1875 92 A 4.0248 8.3075 121.6137 55.3623 18.0890 179.6827 93 Q 4.2018 8.3558 118.1769 58.4955 28.5439 178.9643 94 R 3.8368 7.8366 118.3403 59.4162 30.5950 178.0551 95 S 4.2067 8.2456 113.2773 61.5534 62.3810 176.0399 96 T 4.0273 8.1167 112.2738 62.2169 68.6274 176.4848 97 G 3.6577 8.1540 108.4333 45.4183 0.0000 171.9078 98 Y 5.0413 7.7037 117.2951 55.9806 41.1590 174.1787 99 L 4.9516 8.0740 119.1467 52.6158 44.2900 176.6392 100 V 3.7410 8.5604 122.3763 64.8735 31.7880 176.3844 101 G 4.0830 10.0269 114.8621 45.0948 0.0000 173.7291 102 G 4.1564 8.1393 107.9612 45.4100 0.0000 172.8149 103 I 4.2320 7.8883 121.8234 60.0517 37.8536 176.2827 104 S 4.6743 7.4345 122.4359 56.5244 63.1552 172.4705 105 P 4.4712 0.0000 0.0000 64.2042 31.7785 176.1672 106 L 4.5801 7.6629 119.2393 54.1671 43.3675 176.3521 107 G 3.9647 8.8404 108.9250 46.3886 0.0000 173.9374 108 Q 4.0112 7.9508 117.5946 55.0800 29.4374 176.2940 109 K 3.8426 8.4116 123.8491 58.8820 32.2767 177.1595 110 K 4.5103 7.5747 117.0664 54.3745 33.6659 176.0297 111 R 4.2531 8.4742 123.4186 55.5424 30.8627 175.8417 112 L 4.8902 8.0557 121.4609 51.6862 45.5523 174.3979 113 P 4.3998 0.0000 0.0000 63.4689 32.5631 175.4895 114 T 5.1182 8.5141 119.7464 61.7643 72.1738 172.6999 115 I 4.9530 8.8435 126.7813 59.5151 40.3244 174.5084 116 I 4.8571 8.3131 127.3796 58.9624 40.3034 174.5514 117 D 4.9175 9.1923 126.5618 55.0598 41.7065 176.7485 118 A 4.1679 9.1735 128.6183 55.3270 18.4028 177.6431 119 P 4.2834 0.0000 0.0000 64.7458 31.2224 178.2384 120 A 4.7372 8.3148 121.6494 54.7700 17.9660 179.5193 121 Q 3.7708 7.8040 115.5010 58.3504 28.7346 177.7300 122 E 4.1688 7.8601 117.6232 55.9268 30.1249 176.2450 123 F 4.7735 7.0242 117.9314 55.7775 40.7762 176.0146 124 A 4.2181 8.7980 126.5657 55.1150 18.4855 177.8479 125 T 5.0338 7.6031 102.9762 60.2118 72.3618 173.0492 126 I 4.7833 8.8504 115.3617 59.4508 41.9175 173.3407 127 Y 5.2450 8.9491 119.7929 56.4712 40.5707 175.6694 128 V 5.0767 8.8634 116.0515 59.1363 36.6505 174.8983 129 S 4.9513 8.2434 116.8337 58.3970 62.6627 174.0797 130 G 3.7691 8.8963 112.9858 46.2387 0.0000 174.5275 131 G 3.5387 9.2921 108.9866 44.3890 0.0000 173.6968 132 K 4.4858 7.3001 116.9826 55.0358 35.2016 175.4415 133 R 3.6768 8.2014 119.8074 57.8622 30.5526 177.3998 134 G 2.6688 8.6996 109.0145 44.8623 0.0000 172.2394 135 L 4.9786 7.4507 121.7796 53.4988 45.2177 174.9477 136 D 5.6728 9.4447 125.7782 52.5846 45.2922 174.9943 137 I 5.0700 8.9773 120.6274 59.6403 40.6666 174.2334 138 E 4.8310 9.3604 128.5896 54.3747 31.4652 174.5985 139 L 4.9085 8.5103 125.4939 54.3854 44.7207 174.5863 140 A 4.4681 8.5712 122.6608 51.8492 19.1068 178.7425 141 A 4.1880 8.8356 124.2460 55.2607 18.4497 180.4790 142 G 3.6971 8.1436 103.8548 47.9341 0.0000 175.6617 143 D 4.3996 7.9608 120.7842 57.0308 40.8439 178.2339 144 L 3.9053 7.9618 120.6872 58.1226 42.0115 178.9583 145 A 3.8413 8.3375 121.1900 54.9995 18.1950 179.7990 146 K 3.9302 8.1664 117.3821 60.1602 32.4248 179.5145 147 I 3.7635 7.5633 119.7808 63.2413 37.0707 177.2550 148 L 4.4256 7.3241 117.0243 53.1064 42.4622 175.5415 149 D 4.2239 7.5896 117.4953 55.0179 40.1747 173.1229 150 A 4.5015 7.8615 118.1411 51.3190 20.1665 177.9956 151 K 4.5239 8.4059 118.1993 54.6145 35.1446 175.6651 152 F 5.1497 8.6469 122.3304 56.7241 40.3593 174.9552 153 A 4.6903 8.7402 122.8274 50.8821 23.2070 175.0727 154 D 5.0970 8.7431 120.4714 54.4325 41.1638 176.4261 155 I 4.7307 9.4619 115.0224 60.0399 39.8069 175.3481 156 A 4.6170 8.3693 124.3534 51.9493 19.6676 177.3769 157 R 4.3418 8.9563 119.8155 54.5721 32.6380 175.5858 158 R 4.1534 8.4691 125.2626 56.2794 30.1557 175.9730 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 T 8.03 4.41 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 1.24 0.00 0.00 3 P 0.00 4.09 0.00 2.44 2.13 0.00 3.83 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 2.09 2.21 0.00 4 A 7.87 3.97 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 5 V 7.49 3.12 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 1.09 0.00 0.00 0.88 0.00 0.00 6 K 8.14 3.97 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.62 7.81 7 L 7.97 3.94 0.00 1.86 1.77 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.57 3.96 0.00 1.27 1.52 0.31 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.31 4.15 0.00 2.23 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 0.00 2.62 2.71 0.00 10 K 8.27 4.01 0.00 1.79 2.01 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 11 N 7.96 4.69 0.00 2.88 2.83 0.00 0.00 7.13 7.77 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 12 K 7.72 3.88 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 13 I 7.71 4.52 1.97 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 1.46 0.85 0.99 0.00 0.00 14 S 8.54 4.44 0.00 3.87 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 15 F 7.42 4.95 0.00 3.13 3.01 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 0.00 0.00 0.00 16 Q 9.15 4.39 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 17 I 8.55 4.77 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.07 0.99 0.00 0.00 18 H 9.46 5.10 0.00 3.24 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.74 5.30 4.22 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 0.00 0.00 0.00 1.22 0.00 0.00 20 Y 7.87 4.96 0.00 2.98 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 21 E 8.89 4.21 0.00 1.97 1.92 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 2.28 2.26 0.00 22 H 8.24 4.97 0.00 3.62 3.18 0.00 5.57 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.36 4.61 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 24 P 0.00 4.31 0.00 2.06 2.11 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 25 A 8.12 4.10 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 26 E 7.79 4.37 0.00 2.11 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 2.32 2.43 0.00 27 T 8.01 4.18 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 0.53 0.00 0.00 28 N 8.17 4.59 0.00 2.71 2.57 0.00 0.00 7.14 7.71 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 29 F 8.52 4.74 0.00 3.12 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 30 G 8.36 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 31 D 8.25 4.63 0.00 2.85 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 32 E 8.25 3.90 0.00 2.24 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 2.59 2.45 0.00 33 V 7.48 2.75 1.76 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 0.54 0.00 0.00 0.36 0.00 0.00 34 V 7.33 3.32 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 1.04 0.00 0.00 0.79 0.00 0.00 35 K 7.45 3.89 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.63 7.81 36 K 7.71 4.11 0.00 1.41 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.57 1.68 7.81 37 L 7.69 4.53 0.00 1.42 1.53 0.89 1.18 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 38 G 7.86 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 39 L 7.35 4.24 0.00 1.30 1.18 -0.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.27 4.45 0.00 2.80 2.80 0.00 0.00 6.63 7.71 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 41 P 0.00 4.18 0.00 2.15 2.10 0.00 3.77 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 1.95 1.95 0.00 42 D 8.39 4.38 0.00 2.99 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 43 Q 8.01 3.64 0.00 1.34 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.20 1.30 0.00 44 V 7.24 4.94 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 0.99 0.00 0.00 0.70 0.00 0.00 45 Y 9.43 5.18 0.00 2.87 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 46 K 9.06 4.75 0.00 1.86 1.96 0.00 1.31 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.45 7.81 47 T 8.45 5.09 4.45 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 1.25 0.00 0.00 48 L 9.08 4.85 0.00 1.56 1.56 0.96 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.59 5.01 0.00 1.53 1.61 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.79 4.80 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 0.72 0.00 0.00 0.96 0.00 0.00 51 A 9.00 4.95 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 9.02 4.17 1.67 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 0.78 0.00 0.00 0.85 0.00 0.00 53 N 9.82 4.21 0.00 2.85 2.85 0.00 0.00 7.06 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 54 G 8.35 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 55 D 7.72 4.81 0.00 2.72 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 *57 K 8.34 4.15 0.00 1.95 1.90 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 58 H 8.20 4.83 0.00 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0.00 1.47 1.69 7.81 75 V 7.94 3.58 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 1.02 0.00 0.00 1.02 0.00 0.00 76 A 8.20 3.97 1.41 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 0.00 0.00 77 K 8.25 3.83 0.00 1.95 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 78 A 7.94 4.07 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 79 L 7.80 4.33 0.00 1.76 1.71 0.91 0.98 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 80 G 7.59 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 81 A 7.83 4.64 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 82 K 8.93 4.16 0.00 1.92 1.88 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.38 7.81 83 K 7.53 4.55 0.00 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0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 94 R 7.84 3.84 0.00 1.80 2.09 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 95 S 8.25 4.21 0.00 3.99 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 96 T 8.12 4.03 4.32 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 1.39 0.00 0.00 97 G 8.15 3.66 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 0.00 0.00 0.00 98 Y 7.70 5.04 0.00 3.04 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 99 L 8.07 4.95 0.00 1.69 1.54 0.93 0.76 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 0.00 100 V 8.56 3.74 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 0.73 0.00 0.00 0.96 0.00 0.00 101 G 10.03 4.08 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 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110 K 7.57 4.51 0.00 1.77 1.68 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.49 7.81 111 R 8.47 4.25 0.00 1.78 1.85 0.00 3.13 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 112 L 8.06 4.89 0.00 1.58 1.53 0.93 1.14 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 0.00 113 P 0.00 4.40 0.00 2.07 1.97 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 114 T 8.51 5.12 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 0.00 115 I 8.84 4.95 1.87 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 1.21 1.09 0.98 0.00 0.00 116 I 8.31 4.86 1.48 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.64 0.95 0.00 0.00 117 D 9.19 4.92 0.00 3.12 2.95 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 0.00 118 A 9.17 4.17 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 0.00 119 P 0.00 4.28 0.00 2.30 2.11 0.00 3.87 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 120 A 8.31 4.74 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 0.00 121 Q 7.80 3.77 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.29 0.00 122 E 7.86 4.17 0.00 1.72 1.76 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 2.18 2.35 0.00 123 F 7.02 4.77 0.00 3.08 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 0.00 124 A 8.80 4.22 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 0.00 125 T 7.60 5.03 4.08 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 1.18 0.00 0.00 126 I 8.85 4.78 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.88 0.00 0.00 127 Y 8.95 5.24 0.00 2.85 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 0.00 128 V 8.86 5.08 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 0.68 0.00 0.00 0.98 0.00 0.00 129 S 8.24 4.95 0.00 3.86 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 0.00 130 G 8.90 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 0.00 131 G 9.29 3.54 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 0.00 0.00 0.00 132 K 7.30 4.49 0.00 1.84 1.83 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.36 7.81 133 R 8.20 3.68 0.00 1.42 1.29 0.00 3.44 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 134 G 8.70 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 0.00 0.00 0.00 135 L 7.45 4.98 0.00 1.54 1.40 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 136 D 9.44 5.67 0.00 2.86 2.82 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 0.00 137 I 8.98 5.07 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.84 0.88 0.00 0.00 138 E 9.36 4.83 0.00 1.47 1.86 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 1.95 1.47 0.00 139 L 8.51 4.91 0.00 1.78 1.77 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.57 4.47 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 0.00 141 A 8.84 4.19 1.46 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 0.00 142 G 8.14 3.70 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 0.00 143 D 7.96 4.40 0.00 2.90 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 0.00 144 L 7.96 3.91 0.00 1.75 1.84 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.34 3.84 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 0.00 146 K 8.17 3.93 0.00 2.02 2.11 0.00 1.34 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.49 7.81 147 I 7.56 3.76 1.85 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 1.64 0.80 0.89 0.00 0.00 148 L 7.32 4.43 0.00 1.50 1.64 0.95 1.09 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 0.00 149 D 7.59 4.22 0.00 2.66 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 0.00 150 A 7.86 4.50 1.02 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 0.00 151 K 8.41 4.52 0.00 1.66 1.67 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.34 7.81 152 F 8.65 5.15 0.00 2.97 2.95 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 0.00 153 A 8.74 4.69 1.25 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 0.00 0.00 0.00 154 D 8.74 5.10 0.00 2.61 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 0.00 155 I 9.46 4.73 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 1.34 1.36 0.95 0.00 0.00 156 A 8.37 4.62 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 0.00 157 R 8.96 4.34 0.00 1.85 1.84 0.00 3.08 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 158 R 8.47 4.15 0.00 1.80 1.78 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.