NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0461 8.0549 120.3902 61.8387 32.5023 175.3057 4 P 4.3183 0.0000 0.0000 62.3315 31.9616 174.1874 5 M 4.8419 8.8663 120.6630 53.2258 36.5611 175.1899 6 D 4.5472 8.4017 121.2403 54.3855 41.9504 176.5166 7 T 4.0795 8.0565 118.8080 63.9825 69.5331 173.3865 8 I 4.6538 8.2921 126.8398 60.2089 38.7776 175.1821 9 S 4.4457 8.6741 122.8030 57.2570 65.4056 175.0325 10 G 2.1703 8.0001 110.4150 44.7970 0.0000 172.0589 11 P 3.9699 0.0000 0.0000 62.2440 32.1154 175.5200 12 W 4.6255 8.2977 120.7023 56.0275 31.7529 175.1153 13 G 2.8921 7.9802 105.1949 43.7159 0.0000 172.6950 14 N 4.8151 8.5571 122.6208 51.6197 40.1300 174.0598 15 N 4.6123 8.6533 114.6986 53.0417 37.5781 175.0747 16 G 3.7008 8.1715 108.9215 46.1807 0.0000 174.4253 17 G 3.9582 8.4142 108.7071 44.7407 0.0000 172.2459 18 N 5.1955 8.4573 115.2631 50.9851 41.5512 174.8101 19 F 4.9578 8.9369 124.3331 58.4273 40.3907 174.1452 20 W 5.1643 7.8930 121.0510 55.1874 31.9716 173.6533 21 S 5.0069 8.6067 114.0648 57.4249 65.2571 173.7193 22 F 4.7674 9.8818 129.8623 57.6934 42.0125 173.0907 23 R 4.3552 8.1492 126.9524 53.4516 30.5553 172.8400 24 P 4.3006 0.0000 0.0000 61.3694 32.5772 177.1830 25 V 3.5619 8.1175 118.8309 65.1662 31.6425 175.8362 26 N 4.7979 7.6113 115.8475 50.7857 40.4936 174.1391 27 K 4.0239 8.2511 120.4705 56.4238 32.6768 176.3007 28 I 4.1939 8.4268 127.0776 61.7150 37.0345 175.2668 29 N 5.0697 8.8821 122.2263 52.6162 39.1074 173.9448 30 Q 5.0330 7.8414 120.5713 54.9735 33.1968 173.0390 31 I 4.8450 8.6173 125.6256 59.4036 41.4374 174.1915 32 V 4.4637 8.3255 126.8331 61.0559 34.0103 174.1053 33 I 4.3441 8.3044 129.4137 59.9382 38.9401 174.7395 34 S 4.9147 8.4655 123.5961 57.1524 64.9091 173.0279 35 Y 5.3378 8.9547 122.0177 56.4284 40.6360 174.8072 36 G 4.5296 8.1053 107.9509 43.8045 0.0000 173.4692 37 G 4.0783 9.3546 105.6235 45.3342 0.0000 174.1535 38 G 3.9472 8.2830 105.2764 45.8599 0.0000 173.8179 39 G 4.0492 7.5143 106.9502 44.1078 0.0000 172.8129 40 N 3.6137 8.1508 114.9133 51.9709 37.6344 175.7823 41 N 4.7863 7.3963 116.6452 50.9670 40.3864 174.7969 42 P 4.9392 0.0000 0.0000 62.8092 31.4610 176.5002 43 I 4.8052 9.1776 116.9251 61.1976 40.5049 175.0450 44 A 4.9353 7.6360 122.4397 50.4579 22.9163 174.8503 45 L 4.7262 8.5956 118.9464 52.9979 45.7767 175.8272 46 T 4.5382 8.1952 119.9101 61.6038 71.4024 172.9546 47 F 5.3256 8.3904 125.5260 55.6875 41.8759 175.0371 48 S 5.3838 9.1380 116.7114 56.8695 67.1859 172.8181 49 S 5.2137 9.1752 115.4754 56.9710 65.4082 172.9784 50 T 4.6198 8.6909 124.4364 63.3577 69.0568 175.3123 51 K 4.3308 9.3382 126.4037 54.8816 33.6039 177.6817 52 A 3.9887 8.5983 122.8080 55.5961 18.1132 178.2842 53 D 4.5673 8.0443 112.0375 53.4961 39.6268 177.3636 54 G 3.9309 8.2173 109.0582 45.4127 0.0000 174.0495 55 S 4.6098 8.3379 115.1310 57.7460 65.1545 173.1558 56 K 5.1342 8.3207 118.8399 54.7170 34.9241 175.9251 57 D 4.8755 9.0562 124.9024 54.4328 42.3146 175.4252 58 T 4.8826 8.3107 115.4390 61.0007 70.6229 172.3157 59 I 4.5328 7.8691 126.2972 59.4443 42.0526 173.7875 60 T 4.8764 8.2044 122.6467 61.7209 71.5894 173.7180 61 V 4.0350 8.3215 118.9114 60.4867 35.4674 176.7609 62 G 4.2209 8.6260 110.5566 45.4981 0.0000 173.4521 63 G 3.8198 8.1571 103.8967 45.7224 0.0000 174.5508 64 G 3.9428 8.7772 106.1460 44.9146 0.0000 173.9417 65 G 2.6551 6.9619 109.6091 42.7870 0.0000 172.3940 66 P 4.2325 0.0000 0.0000 65.1877 31.4566 175.8560 67 D 4.7649 7.5216 120.3115 53.7361 41.8801 175.7080 68 S 4.6633 8.5883 120.1396 57.0643 65.8086 173.1720 69 I 4.5872 8.2775 122.8511 61.7515 37.0519 175.8607 70 T 4.5179 8.7074 117.1143 61.1106 69.9847 174.0608 71 G 4.3366 7.5895 108.0109 46.3975 0.0000 172.4434 72 T 5.1622 8.5931 109.6553 59.9663 72.2585 172.8064 73 E 4.8667 8.6878 120.9338 54.9110 34.0820 174.5511 74 M 5.0150 8.5368 120.6350 53.4964 35.5514 175.0760 75 V 4.3021 8.7142 123.0732 61.2213 33.8621 173.8807 76 N 5.3532 8.7760 125.1863 51.5900 40.7352 173.8712 77 I 4.4463 8.6406 125.8025 59.7754 38.9474 176.5932 78 G 3.9838 8.9785 116.7563 44.4372 0.0000 174.1402 79 T 3.8638 8.6471 115.2694 66.9334 68.2023 175.2534 80 D 4.8466 8.0722 116.7535 53.9381 41.1288 175.6030 81 E 4.8865 7.9654 120.7141 54.8085 31.5947 174.5783 82 Y 5.0639 8.5144 122.1032 55.2638 42.0280 174.0912 83 L 4.7340 8.9520 121.7292 55.7863 42.2767 177.6804 84 T 4.5610 9.2241 112.6426 62.2549 71.1398 173.9865 85 G 4.4709 7.9254 107.0382 45.1970 0.0000 171.9769 86 I 5.4644 8.7341 113.5968 59.2950 41.6156 174.2041 87 S 4.1167 7.9306 116.3522 57.0506 66.9312 173.7935 88 G 3.2975 6.1255 105.7696 46.0263 0.0000 171.7421 89 T 5.3321 7.6468 108.1100 60.2125 72.7169 173.0338 90 F 5.1868 8.9669 121.3977 55.9780 42.7431 174.8073 91 G 4.2653 8.5596 107.6750 45.9819 0.0000 172.2161 92 I 4.6828 8.5110 121.0426 61.3370 38.1303 175.9343 93 Y 4.5316 9.0347 127.3155 57.2735 41.7765 174.9391 94 L 3.3104 8.9717 128.6403 56.0393 39.2437 174.8155 95 D 4.7045 8.1845 112.6747 54.5737 38.6742 174.0826 96 N 5.1524 7.9755 116.3066 51.3797 42.7344 173.4493 97 N 5.1860 8.9409 121.5569 53.1873 39.3779 173.9774 98 V 5.0767 9.0709 119.5766 59.3806 37.2547 174.3678 99 L 3.4709 9.0031 124.7383 55.6838 41.6609 176.7056 100 R 4.5733 9.0761 125.2090 57.0599 32.9380 176.1333 101 S 5.2034 7.6038 112.0441 57.2078 66.9105 173.2316 102 I 4.9268 8.6450 120.1081 60.1908 41.7502 173.3834 103 T 4.9589 8.7921 124.5033 61.7184 72.2747 172.9357 104 F 4.9634 9.4036 124.9477 56.3434 41.2216 174.6365 105 T 5.0779 9.1051 122.1726 62.4920 69.0010 174.5223 106 T 5.0289 8.7893 115.8306 59.2795 71.9929 174.5768 107 N 4.3809 7.9751 118.5022 55.7104 37.2564 176.4160 108 L 4.0546 7.3089 119.6853 56.9088 42.4690 176.1376 109 K 4.2240 7.6153 114.8210 56.0683 35.4211 173.4873 110 A 4.5158 8.4160 122.5505 51.6488 19.4222 176.5593 111 H 4.7373 10.5021 121.2818 55.9057 29.8299 174.3735 112 G 2.6487 8.1304 113.1317 43.0689 0.0000 170.5619 113 P 4.3364 0.0000 0.0000 61.9313 32.4023 174.9801 114 Y 4.7145 8.5183 118.7010 57.6720 39.8939 173.7728 115 G 4.6319 8.8589 111.0601 44.2329 0.0000 171.9141 116 Q 4.4661 8.3921 121.2341 54.3227 30.4141 177.1513 117 K 4.3302 8.3064 125.2828 55.0370 30.6688 176.3933 118 V 4.4725 7.3451 112.2786 60.3812 36.6024 175.5622 119 G 3.9001 8.7525 106.2111 44.4607 0.0000 172.2588 120 T 4.6673 8.8623 117.8977 61.5618 70.0128 173.2363 121 P 5.1774 0.0000 0.0000 62.5983 32.8479 175.3554 122 F 5.0028 8.6762 115.4216 55.6431 41.8012 173.2849 123 S 4.7086 7.8092 113.1421 56.7104 65.0991 173.9668 124 S 4.4456 8.4285 121.5668 57.7176 63.9411 173.8774 125 A 4.0661 8.7859 126.9098 53.2023 19.2111 179.2708 126 N 4.7260 8.5874 124.9213 51.6238 36.7907 173.8539 127 V 3.9904 7.4752 122.2019 60.3685 33.2066 178.6441 128 V 3.9131 8.3860 122.1591 61.8872 31.7445 174.0366 129 G 4.0515 9.1057 112.6711 44.3637 0.0000 172.5210 130 N 4.8717 8.0130 118.3811 53.2470 39.8063 173.6547 131 E 5.0591 8.9565 125.1434 54.4066 32.9983 174.5195 132 I 4.5126 8.6969 128.5618 61.4217 37.5010 176.2529 133 V 4.2721 8.4248 119.5702 60.5159 33.0647 175.1787 134 G 4.0361 6.9700 107.2366 46.1570 0.0000 172.0777 135 F 5.5826 8.9527 117.8499 55.8155 43.7000 174.2335 136 L 3.9523 8.0021 119.7924 54.0935 44.2544 175.5518 137 G 3.3257 5.6073 104.1966 45.9264 0.0000 171.6396 138 R 5.4413 7.6009 118.1733 54.9865 34.8573 174.6945 139 S 5.3694 8.9429 114.7078 57.7754 67.0475 175.6928 140 G 4.5645 9.3533 111.5794 46.3682 0.0000 176.4473 141 Y 4.5501 8.7671 125.9282 59.5308 38.0500 174.3001 142 Y 5.7011 7.2732 115.0162 55.3098 41.9923 173.1683 143 V 4.6378 8.4773 120.6242 62.5508 32.0892 176.6306 144 D 4.9618 9.3838 129.0604 56.6446 42.3167 176.4476 145 A 4.7867 8.0926 117.6177 51.1111 22.8173 175.0947 146 I 5.0353 9.0270 120.0712 59.9488 42.4075 174.3250 147 G 4.2424 9.3992 115.0599 45.2267 0.0000 170.8201 148 T 5.0168 8.4051 108.3586 60.0001 72.4505 172.6296 149 Y 5.0477 8.2871 120.5843 57.0108 40.2985 174.5905 150 N 5.7414 9.1239 119.5067 51.8980 43.6440 173.5245 151 R 4.8669 8.9864 118.7396 55.9356 33.6018 174.2600 *152 H 4.9773 8.7243 119.4804 54.4884 29.0684 176.2607 153 K 4.1642 8.7644 123.5093 55.9738 32.4081 176.0947 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 3 V 8.05 4.05 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 0.97 0.00 0.00 0.92 0.00 0.00 4 P 0.00 4.32 0.00 2.14 1.95 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 5 M 8.87 4.84 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 6 D 8.40 4.55 0.00 2.67 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 7 T 8.06 4.08 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 1.21 0.00 0.00 8 I 8.29 4.65 1.74 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 0.86 0.51 0.63 0.00 0.00 9 S 8.67 4.45 0.00 3.83 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 10 G 8.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 3.97 0.00 1.80 1.75 0.00 3.38 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 12 W 8.30 4.63 0.00 2.73 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 13 G 7.98 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 0.00 0.00 0.00 14 N 8.56 4.82 0.00 2.71 2.68 0.00 0.00 6.88 7.55 0.00 0.00 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 N 8.65 4.61 0.00 2.83 2.92 0.00 0.00 5.89 7.00 0.00 0.00 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 G 8.17 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 17 G 8.41 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 18 N 8.46 5.20 0.00 2.70 2.81 0.00 0.00 7.09 7.75 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 19 F 8.94 4.96 0.00 2.93 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 20 W 7.89 5.16 0.00 3.33 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 21 S 8.61 5.01 0.00 3.62 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 22 F 9.88 4.77 0.00 3.30 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 23 R 8.15 4.36 0.00 1.18 1.34 0.00 3.20 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.00 24 P 0.00 4.30 0.00 2.06 1.49 0.00 3.69 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.66 0.00 25 V 8.12 3.56 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 0.78 0.00 0.00 0.86 0.00 0.00 26 N 7.61 4.80 0.00 2.75 2.75 0.00 0.00 6.84 7.61 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 27 K 8.25 4.02 0.00 1.74 1.75 0.00 2.01 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.53 7.81 28 I 8.43 4.19 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.75 1.26 0.00 0.00 29 N 8.88 5.07 0.00 2.95 3.06 0.00 0.00 5.96 6.78 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 30 Q 7.84 5.03 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.56 0.00 31 I 8.62 4.85 1.34 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 1.02 0.31 0.11 0.00 0.00 32 V 8.33 4.46 1.82 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 0.92 0.00 0.00 0.76 0.00 0.00 33 I 8.30 4.34 1.27 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.41 0.44 0.00 0.00 34 S 8.47 4.91 0.00 3.61 3.65 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 35 Y 8.95 5.34 0.00 2.92 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 36 G 8.11 4.53 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 0.00 37 G 9.35 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 0.00 0.00 0.00 0.00 38 G 8.28 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 39 G 7.51 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 0.00 0.00 0.00 0.00 40 N 8.15 3.61 0.00 2.47 2.18 0.00 0.00 6.79 6.92 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 41 N 7.40 4.79 0.00 2.39 1.58 0.00 0.00 6.99 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 42 P 0.00 4.94 0.00 1.92 1.98 0.00 3.50 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 43 I 9.18 4.81 2.14 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 1.33 0.98 1.20 0.00 0.00 44 A 7.64 4.94 1.08 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 0.00 0.00 45 L 8.60 4.73 0.00 1.08 0.61 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.20 4.54 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 1.00 0.00 0.00 47 F 8.39 5.33 0.00 2.80 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 48 S 9.14 5.38 0.00 3.94 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 49 S 9.18 5.21 0.00 4.00 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 50 T 8.69 4.62 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 51 K 9.34 4.33 0.00 1.94 1.75 0.00 2.02 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 52 A 8.60 3.99 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 53 D 8.04 4.57 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 54 G 8.22 3.93 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 0.00 0.00 0.00 55 S 8.34 4.61 0.00 3.92 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 56 K 8.32 5.13 0.00 1.63 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.44 7.81 57 D 9.06 4.88 0.00 2.84 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 58 T 8.31 4.88 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 1.16 0.00 0.00 59 I 7.87 4.53 1.22 0.00 0.00 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 1.01 1.19 0.45 0.00 0.00 60 T 8.20 4.88 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 1.02 0.00 0.00 61 V 8.32 4.04 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 -0.34 0.00 0.00 0.09 0.00 0.00 62 G 8.63 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 0.00 0.00 0.00 0.00 63 G 8.16 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 0.00 0.00 0.00 64 G 8.78 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 6.96 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 0.00 0.00 0.00 66 P 0.00 4.23 0.00 2.16 2.15 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 67 D 7.52 4.76 0.00 3.18 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 68 S 8.59 4.66 0.00 3.92 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 69 I 8.28 4.59 1.85 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 1.38 0.51 0.97 0.00 0.00 70 T 8.71 4.52 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 1.33 0.00 0.00 71 G 7.59 4.34 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 0.00 72 T 8.59 5.16 4.10 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 1.13 0.00 0.00 73 E 8.69 4.87 0.00 1.78 1.81 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 2.37 2.64 0.00 74 M 8.54 5.01 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 75 V 8.71 4.30 1.83 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 0.81 0.00 0.00 0.78 0.00 0.00 76 N 8.78 5.35 0.00 2.61 2.70 0.00 0.00 7.08 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 77 I 8.64 4.45 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 1.01 0.00 0.00 78 G 8.98 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 79 T 8.65 3.86 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 1.24 0.00 0.00 80 D 8.07 4.85 0.00 2.71 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 81 E 7.97 4.89 0.00 1.96 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 2.26 2.31 0.00 82 Y 8.51 5.06 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 83 L 8.95 4.73 0.00 1.79 1.86 1.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 T 9.22 4.56 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 1.31 0.00 0.00 85 G 7.93 4.47 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 0.00 0.00 0.00 86 I 8.73 5.46 1.99 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.37 1.36 0.00 0.00 87 S 7.93 4.12 0.00 3.58 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 88 G 6.13 3.30 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 89 T 7.65 5.33 4.34 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 1.15 0.00 0.00 90 F 8.97 5.19 0.00 3.18 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 91 G 8.56 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 0.00 0.00 0.00 0.00 92 I 8.51 4.68 1.92 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 1.28 0.89 0.93 0.00 0.00 93 Y 9.03 4.53 0.00 2.84 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 94 L 8.97 3.31 0.00 1.36 1.52 0.72 0.86 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 95 D 8.18 4.70 0.00 2.89 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 96 N 7.98 5.15 0.00 2.87 2.87 0.00 0.00 6.62 6.85 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 97 N 8.94 5.19 0.00 2.81 2.85 0.00 0.00 6.81 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 98 V 9.07 5.08 2.44 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 0.92 0.00 0.00 1.05 0.00 0.00 99 L 9.00 3.47 0.00 1.52 1.54 0.68 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.08 4.57 0.00 1.65 1.87 0.00 3.25 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 101 S 7.60 5.20 0.00 3.96 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 0.00 102 I 8.64 4.93 1.84 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 0.33 1.41 0.95 0.00 0.00 103 T 8.79 4.96 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 1.21 0.00 0.00 104 F 9.40 4.96 0.00 3.14 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 0.00 105 T 9.11 5.08 4.42 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 1.22 0.00 0.00 106 T 8.79 5.03 4.29 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 1.37 0.00 0.00 107 N 7.98 4.38 0.00 2.68 2.34 0.00 0.00 6.95 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.31 4.05 0.00 1.64 1.87 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.62 4.22 0.00 1.88 1.81 0.00 1.30 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.17 1.04 7.81 110 A 8.42 4.52 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 0.00 111 H 10.50 4.74 0.00 3.70 3.61 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.13 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 0.00 0.00 0.00 113 P 0.00 4.34 0.00 2.07 1.91 0.00 3.17 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 114 Y 8.52 4.71 0.00 3.28 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 0.00 115 G 8.86 4.63 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 0.00 116 Q 8.39 4.47 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.39 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 117 K 8.31 4.33 0.00 1.70 1.72 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.33 7.81 118 V 7.35 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 0.70 0.00 0.00 0.93 0.00 0.00 119 G 8.75 3.90 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 0.00 0.00 0.00 120 T 8.86 4.67 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 1.31 0.00 0.00 121 P 0.00 5.18 0.00 2.01 1.99 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 122 F 8.68 5.00 0.00 2.51 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 0.00 123 S 7.81 4.71 0.00 3.59 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.43 4.45 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.79 4.07 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 0.00 126 N 8.59 4.73 0.00 2.75 2.65 0.00 0.00 6.71 7.67 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 0.00 127 V 7.48 3.99 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 0.67 0.00 0.00 0.93 0.00 0.00 128 V 8.39 3.91 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 0.88 0.00 0.00 0.93 0.00 0.00 129 G 9.11 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 0.00 0.00 0.00 0.00 130 N 8.01 4.87 0.00 2.85 2.82 0.00 0.00 6.79 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 0.00 131 E 8.96 5.06 0.00 1.96 1.70 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 2.23 2.59 0.00 132 I 8.70 4.51 1.91 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 1.37 0.74 0.49 0.00 0.00 133 V 8.42 4.27 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 0.63 0.00 0.00 0.98 0.00 0.00 134 G 6.97 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.95 5.58 0.00 2.84 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 0.00 136 L 8.00 3.95 0.00 1.40 1.48 0.75 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 137 G 5.61 3.33 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 0.00 138 R 7.60 5.44 0.00 1.84 1.99 0.00 3.17 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 139 S 8.94 5.37 0.00 4.08 4.11 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 0.00 140 G 9.35 4.56 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 0.00 141 Y 8.77 4.55 0.00 2.11 1.97 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 0.00 142 Y 7.27 5.70 0.00 3.16 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 0.00 143 V 8.48 4.64 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 1.43 0.00 0.00 0.99 0.00 0.00 144 D 9.38 4.96 0.00 3.05 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 0.00 145 A 8.09 4.79 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 I 9.03 5.04 2.31 0.00 0.00 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 1.62 1.70 1.21 0.00 0.00 147 G 9.40 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 0.00 0.00 0.00 0.00 148 T 8.41 5.02 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 1.46 0.00 0.00 149 Y 8.29 5.05 0.00 2.89 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 0.00 150 N 9.12 5.74 0.00 2.62 2.90 0.00 0.00 6.39 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 0.00 151 R 8.99 4.87 0.00 1.82 1.95 0.00 2.71 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 *152 H 8.72 4.98 0.00 2.71 2.91 0.00 7.30 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 0.00 153 K 8.76 4.16 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.