NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 F 4.7935 8.1833 122.8216 58.6060 41.3443 176.7619 33 M 3.4218 8.0183 119.9457 57.9500 31.9189 175.5149 34 E 4.0655 8.3660 119.4156 60.4370 30.1747 179.7789 35 E 3.9657 8.0675 117.9604 60.8136 30.1032 180.7067 36 F 3.7702 8.4547 122.3994 61.1638 39.2055 177.8386 37 F 4.1729 8.8530 119.9663 61.1769 38.9230 178.1400 38 E 3.9839 8.1844 119.8859 62.0779 29.4428 182.2975 39 Q 4.1403 8.6406 122.1903 60.0685 28.1688 180.8292 40 V 3.6695 7.3165 121.5211 64.5633 31.1990 178.2439 41 E 4.0890 8.6865 121.8237 59.2450 29.2051 179.7366 42 E 3.9885 7.6641 118.0638 61.0505 30.1842 183.1198 43 I 3.9436 7.7461 120.9539 64.4092 37.0530 177.7002 44 R 4.1717 8.0957 119.5905 57.5722 29.9648 178.3881 45 A 4.0262 8.3468 122.7339 56.9093 18.5627 179.7356 46 M 4.1103 8.5560 119.2229 59.1028 31.5276 181.8212 47 I 3.9434 7.6671 119.2106 64.2580 37.5027 177.9031 48 D 4.4146 8.3110 122.1582 58.0316 40.7040 179.7793 49 K 3.9889 7.9531 124.0161 59.7630 31.5915 180.3554 50 I 4.0719 8.3060 118.2479 62.4564 38.0957 177.0434 51 S 4.2943 8.4308 113.4717 61.7738 62.3865 177.0703 52 D 4.2380 8.1182 120.8615 56.6020 40.6269 178.8940 53 N 4.3511 8.2678 116.5984 56.0288 38.6128 177.4745 54 V 3.7933 8.0475 122.4036 67.1464 31.6564 178.5555 55 D 4.4141 8.1103 119.7391 58.2634 39.8016 179.9443 56 A 4.3287 7.7579 121.3260 54.9844 18.3286 179.9186 57 V 3.4890 8.3297 119.8629 66.3898 31.2886 178.8437 58 K 3.9446 7.8296 125.3873 60.3693 31.7355 182.2425 59 K 4.3340 7.6064 123.4986 59.6748 31.7435 181.1229 60 K 4.0720 7.7843 119.7707 59.5243 31.7119 178.8625 61 H 3.9078 7.9003 115.7283 57.8895 29.0656 177.0516 62 S 3.9973 9.1704 114.7613 59.9581 61.7438 178.4265 63 D 3.8996 8.4850 118.5821 56.3759 42.5543 177.4795 64 I 3.6268 7.3484 118.6192 65.3710 37.8461 177.4763 65 L 4.1124 8.7952 121.4875 58.1193 41.8839 178.8143 66 S 4.1052 8.3633 111.4579 61.3237 62.2151 174.2480 67 A 4.1356 7.4569 121.2982 51.5805 18.8116 175.9171 68 P 4.4219 0.0000 0.0000 64.6861 31.6691 176.8271 69 Q 4.6185 7.5504 113.3072 53.7075 31.7688 174.4795 70 T 3.8228 8.4421 113.4641 62.4352 67.7028 174.2952 71 D 4.7683 8.5652 131.1950 53.1979 40.4317 176.5221 72 D 4.5082 8.6199 130.1567 59.0550 40.1968 176.8914 73 Q 4.3312 8.2032 119.3209 59.6519 27.9699 183.2345 74 M 4.0171 7.8655 118.7455 58.4040 32.2265 179.2570 75 K 4.0335 8.1610 119.7112 60.7360 32.5238 179.2056 76 E 4.0530 9.1329 119.1379 60.3521 29.4336 181.3946 77 E 4.0189 7.6923 117.8009 58.9040 29.9288 179.7374 78 L 3.8348 8.2727 120.8305 58.3358 42.0927 178.5414 79 E 3.9845 8.1253 119.6917 60.7331 29.5763 179.7469 80 E 4.0933 8.2026 117.7889 60.4851 30.0238 181.3700 81 L 4.1916 7.8695 119.0164 58.4675 42.0772 179.6792 82 M 4.0761 8.3778 118.2622 59.3048 31.8932 179.2482 83 T 3.9527 8.6575 116.1555 66.4448 68.5205 176.7132 84 D 4.2676 8.0502 120.3197 57.7432 40.7345 178.5588 85 I 3.4029 7.5566 122.1935 65.0906 37.0643 178.9788 86 K 3.8729 7.8784 124.1555 59.3294 31.8808 181.5788 87 R 4.3876 8.0871 116.9610 58.0442 29.8287 178.7253 88 T 4.0379 8.5368 116.8364 65.8620 68.9414 176.5764 89 A 4.2138 7.3675 122.3783 55.7202 18.1006 179.2720 90 N 4.4832 7.5874 112.5568 55.4016 39.0860 177.4056 91 K 4.0005 7.7827 120.9271 59.5891 32.3378 178.6861 92 V 3.4520 7.7803 118.3285 66.2358 31.1367 177.9398 93 R 3.6748 7.6725 117.1222 59.0538 30.0070 178.6479 94 G 3.7031 8.1719 108.0840 48.4405 0.0000 176.4488 95 K 3.8527 8.1279 126.5538 59.3728 31.4298 180.8310 96 L 4.3958 8.0471 120.7869 58.4814 41.2571 179.9702 97 K 3.9075 8.1422 123.7831 60.3992 31.6477 180.4743 98 T 4.5104 7.9985 116.4032 66.9077 68.3853 175.8434 99 I 3.7873 7.6464 122.1718 65.3674 37.2043 178.5485 100 E 3.4168 8.6100 118.9066 61.2478 29.2393 181.3662 101 L 4.1054 8.5473 119.3280 57.8045 42.0700 178.8671 102 N 4.3559 8.6063 116.6107 56.8609 38.2688 177.5365 103 I 3.8051 7.7236 122.5591 64.7030 37.2962 178.4654 104 E 4.2280 8.3264 120.1595 59.9150 30.4877 179.9221 105 Q 4.6274 7.6879 117.4991 55.5005 29.3079 180.0910 *113 S 4.2723 7.5550 116.6637 58.2008 64.1896 175.9341 114 A 4.3172 7.9849 118.3427 56.0344 17.9022 179.1593 115 D 4.3996 8.2284 118.3224 58.5138 40.9136 179.8740 116 L 4.0569 8.0655 124.8526 59.7227 40.9158 182.7209 117 R 4.1076 7.8194 119.7871 61.5368 29.2782 180.8992 118 I 3.9871 7.9525 119.6587 64.6892 37.2784 178.6863 119 R 3.8530 7.5092 119.8876 59.9734 29.8909 179.7812 120 K 3.9180 8.1087 123.5877 60.1391 31.3622 180.3515 121 T 4.4716 7.7994 114.6752 66.8501 68.8689 177.2188 122 Q 3.9487 8.6061 119.7838 59.9349 28.7797 178.7687 123 Y 4.0177 8.5631 118.7505 61.3154 38.5904 178.2077 124 S 4.0310 8.5440 111.7652 62.6943 62.6733 176.5096 125 T 3.9270 8.4666 118.5806 65.5957 68.0942 176.3542 126 I 3.6363 8.0678 121.3099 64.9433 37.4383 178.5177 127 S 3.9716 8.2132 118.4067 62.1291 62.4921 177.6436 128 R 3.9817 7.8902 125.4037 62.1364 29.1366 181.1501 129 K 4.0559 8.3484 125.1498 59.8030 31.6586 180.7583 130 F 4.2650 8.3449 120.9106 61.4216 39.4798 177.6295 131 V 3.6574 8.1889 120.3139 66.5091 31.1579 178.6045 132 E 3.9254 8.4439 118.4369 60.9592 29.6743 182.4722 133 V 3.9627 7.2134 121.0497 65.6067 31.4278 178.1353 134 M 4.0054 7.5164 117.6196 58.0103 31.6045 178.0955 135 S 4.3254 7.9925 111.3054 59.4712 63.0558 174.4428 136 D 4.7619 8.1203 120.4027 54.9048 40.3889 177.8112 137 Y 4.1443 7.9282 121.7279 60.5813 38.9396 176.8441 138 N 4.1884 8.6136 118.2885 56.7113 38.8982 177.0858 139 T 3.8159 7.7986 116.8219 66.8133 68.6555 176.1692 140 T 3.8408 7.4381 117.2776 67.2153 68.4294 176.4107 141 Q 4.0728 7.8200 121.0392 58.9364 28.7768 179.2475 142 I 3.8707 7.5874 121.2118 64.7855 35.1968 181.9205 143 D 4.7938 8.5273 119.1470 55.6898 40.4629 177.1151 144 Y 4.4605 7.4111 122.3391 59.9198 39.9330 178.1874 145 R 3.6931 7.6579 121.5455 61.8357 29.3552 179.7376 146 D 4.6719 8.2559 121.2193 57.0932 40.6347 179.1641 147 R 3.8998 7.7165 123.1807 61.5867 29.7761 180.0977 148 C 4.3841 7.6590 119.2828 63.0360 31.7301 176.4071 149 K 3.9274 8.3911 125.2027 59.1672 31.1104 180.7265 150 A 4.1507 7.9626 120.0835 56.0459 18.2235 180.0118 151 R 3.9415 8.1785 118.5819 59.8938 30.1378 179.6696 152 I 3.9754 7.7077 117.3075 63.7079 35.6758 178.8383 153 K 4.5947 7.7610 120.0767 59.9177 32.8821 179.3936 154 R 4.1863 8.0055 120.9521 61.0765 29.2400 180.9169 155 Q 4.3575 8.3364 119.2594 61.1978 28.3596 181.4638 156 M 4.4354 7.7185 124.0209 55.3187 31.9769 176.1796 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 32 F 8.18 4.79 0.00 3.13 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 33 M 8.02 3.42 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.68 0.00 34 E 8.37 4.07 0.00 2.05 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 2.47 2.50 0.00 35 E 8.07 3.97 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 2.31 1.93 0.00 36 F 8.45 3.77 0.00 2.27 2.57 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 37 F 8.85 4.17 0.00 3.11 2.99 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 38 E 8.18 3.98 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 39 Q 8.64 4.14 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 40 V 7.32 3.67 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.82 0.00 0.00 41 E 8.69 4.09 0.00 1.97 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 2.32 2.45 0.00 42 E 7.66 3.99 0.00 2.11 1.94 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 2.23 2.21 0.00 43 I 7.75 3.94 1.79 0.00 0.00 0.73 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 0.58 0.80 0.00 0.00 44 R 8.10 4.17 0.00 2.05 1.86 0.00 3.16 0.00 0.00 3.17 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 45 A 8.35 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.56 4.11 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 47 I 7.67 3.94 2.04 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 1.90 1.00 0.96 0.00 0.00 48 D 8.31 4.41 0.00 2.87 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 49 K 7.95 3.99 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 50 I 8.31 4.07 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.97 0.00 0.00 51 S 8.43 4.29 0.00 3.92 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 52 D 8.12 4.24 0.00 3.04 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.27 4.35 0.00 2.70 2.83 0.00 0.00 6.70 7.29 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 54 V 8.05 3.79 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.02 0.00 0.00 55 D 8.11 4.41 0.00 2.72 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 56 A 7.76 4.33 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 57 V 8.33 3.49 2.23 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 0.70 0.00 0.00 1.00 0.00 0.00 58 K 7.83 3.94 0.00 1.91 1.73 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 59 K 7.61 4.33 0.00 1.82 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 60 K 7.78 4.07 0.00 1.65 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.58 7.81 61 H 7.90 3.91 0.00 3.25 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 9.17 4.00 0.00 3.92 3.75 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 63 D 8.49 3.90 0.00 3.14 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 64 I 7.35 3.63 2.28 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 0.57 1.05 0.00 0.00 65 L 8.80 4.11 0.00 1.66 1.77 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.36 4.11 0.00 3.83 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 67 A 7.46 4.14 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 68 P 0.00 4.42 0.00 2.06 2.12 0.00 3.63 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 2.03 2.07 0.00 69 Q 7.55 4.62 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 70 T 8.44 3.82 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 1.22 0.00 0.00 71 D 8.57 4.77 0.00 2.75 2.56 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 72 D 8.62 4.51 0.00 2.81 2.59 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 73 Q 8.20 4.33 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 74 M 7.87 4.02 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.69 0.00 75 K 8.16 4.03 0.00 1.88 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.50 7.81 76 E 9.13 4.05 0.00 1.92 1.87 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 2.24 2.22 0.00 77 E 7.69 4.02 0.00 2.16 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 2.40 2.49 0.00 78 L 8.27 3.83 0.00 1.73 1.89 0.67 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.13 3.98 0.00 2.10 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 2.68 2.48 0.00 80 E 8.20 4.09 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 2.31 1.97 0.00 81 L 7.87 4.19 0.00 1.63 1.77 0.87 1.39 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 82 M 8.38 4.08 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.70 0.00 83 T 8.66 3.95 4.52 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 1.21 0.00 0.00 84 D 8.05 4.27 0.00 2.68 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 85 I 7.56 3.40 1.86 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 1.24 0.96 -0.17 0.00 0.00 86 K 7.88 3.87 0.00 1.80 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 87 R 8.09 4.39 0.00 2.02 2.36 0.00 2.72 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 88 T 8.54 4.04 4.35 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 1.22 0.00 0.00 89 A 7.37 4.21 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 7.59 4.48 0.00 3.07 2.89 0.00 0.00 7.00 7.49 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 91 K 7.78 4.00 0.00 1.84 1.90 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 92 V 7.78 3.45 2.32 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 0.37 0.00 0.00 0.93 0.00 0.00 93 R 7.67 3.67 0.00 2.03 1.92 0.00 3.33 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 94 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 95 K 8.13 3.85 0.00 1.77 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.13 7.81 96 L 8.05 4.40 0.00 1.84 1.81 0.57 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.14 3.91 0.00 1.75 1.83 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.37 7.81 98 T 8.00 4.51 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 1.24 0.00 0.00 99 I 7.65 3.79 2.19 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 1.14 0.00 0.00 100 E 8.61 3.42 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 101 L 8.55 4.11 0.00 1.72 1.74 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.61 4.36 0.00 2.96 2.93 0.00 0.00 7.15 7.49 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 0.00 103 I 7.72 3.81 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.39 0.78 0.00 0.00 104 E 8.33 4.23 0.00 2.05 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 2.26 2.19 0.00 105 Q 7.69 4.63 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.44 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 *113 S 7.56 4.27 0.00 3.67 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 0.00 114 A 7.98 4.32 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 0.00 115 D 8.23 4.40 0.00 2.71 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 0.00 116 L 8.07 4.06 0.00 1.65 1.62 0.92 0.92 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 0.00 117 R 7.82 4.11 0.00 1.89 2.00 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 118 I 7.95 3.99 2.04 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 1.63 0.45 1.01 0.00 0.00 119 R 7.51 3.85 0.00 1.69 1.52 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 120 K 8.11 3.92 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.39 7.81 121 T 7.80 4.47 4.49 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 1.32 0.00 0.00 122 Q 8.61 3.95 0.00 2.56 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.85 3.14 0.00 123 Y 8.56 4.02 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.54 4.03 0.00 4.27 4.06 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 0.00 125 T 8.47 3.93 4.52 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 1.23 0.00 0.00 126 I 8.07 3.64 2.04 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 1.69 0.95 0.80 0.00 0.00 127 S 8.21 3.97 0.00 3.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.89 3.98 0.00 1.78 1.93 0.00 3.31 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 129 K 8.35 4.06 0.00 1.73 1.89 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 130 F 8.34 4.26 0.00 3.16 3.22 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 0.00 131 V 8.19 3.66 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 0.94 0.00 0.00 1.07 0.00 0.00 132 E 8.44 3.93 0.00 2.00 1.94 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 2.24 2.18 0.00 133 V 7.21 3.96 1.94 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 0.97 0.00 0.00 0.90 0.00 0.00 134 M 7.52 4.01 0.00 1.90 1.75 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.89 0.00 135 S 7.99 4.33 0.00 4.21 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 0.00 136 D 8.12 4.76 0.00 2.98 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 0.00 137 Y 7.93 4.14 0.00 3.05 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 0.00 138 N 8.61 4.19 0.00 3.05 2.81 0.00 0.00 7.22 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 0.00 139 T 7.80 3.82 4.35 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 1.23 0.00 0.00 140 T 7.44 3.84 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 1.19 0.00 0.00 141 Q 7.82 4.07 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.83 0.00 0.00 0.00 0.00 0.00 2.08 1.58 0.00 142 I 7.59 3.87 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 0.73 0.91 0.00 0.00 143 D 8.53 4.79 0.00 2.94 2.74 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 0.00 144 Y 7.41 4.46 0.00 2.85 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 0.00 145 R 7.66 3.69 0.00 1.81 1.93 0.00 3.32 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 146 D 8.26 4.67 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.72 3.90 0.00 1.94 1.89 0.00 3.26 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 148 C 7.66 4.38 0.00 2.39 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 0.00 149 K 8.39 3.93 0.00 1.75 1.82 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 150 A 7.96 4.15 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 0.00 151 R 8.18 3.94 0.00 1.98 1.95 0.00 3.11 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 152 I 7.71 3.98 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 1.64 0.62 0.91 0.00 0.00 153 K 7.76 4.59 0.00 1.81 1.84 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.55 7.81 154 R 8.01 4.19 0.00 1.91 1.85 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 155 Q 8.34 4.36 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 156 M 7.72 4.44 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.79 0.00 * Residues marked with a * may have inaccurate shift predictions.