NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 A 4.2969 8.2644 123.5816 52.0931 19.9261 175.9492 42 R 4.1115 7.8924 119.0111 54.8196 32.7050 172.2630 43 A 4.0010 8.8530 127.9020 52.0788 19.8823 176.5690 44 Q 4.2927 8.2342 122.6356 54.4415 30.3333 174.4337 45 H 4.6218 8.3983 122.0752 55.1234 29.9177 175.9708 46 I 4.4184 8.1180 123.2247 60.4147 37.3505 175.1307 47 V 4.1662 8.5921 128.9014 60.9668 33.0222 173.3708 48 P 5.2922 0.0000 0.0000 62.6732 32.4808 175.0869 49 C 5.2898 9.1383 120.7196 58.3818 32.9746 173.4814 50 T 4.6390 8.7999 110.4989 60.3241 70.4281 176.1296 51 I 3.7096 8.9412 123.9915 64.4974 37.0251 178.9037 52 S 4.1023 8.2222 115.1692 61.6133 62.5064 176.7572 53 Q 3.9525 8.1244 121.4999 58.7195 28.2390 178.6437 54 L 3.8949 7.5186 118.5083 57.8025 41.7051 179.3483 55 L 4.0612 8.0297 118.3358 57.4754 41.6471 179.0417 56 S 4.3270 7.7412 112.6428 58.8831 63.4374 174.5375 57 A 4.4924 7.1402 124.1434 52.4068 18.8699 177.0630 58 T 4.8242 8.7533 111.2379 59.4812 72.3631 173.1124 59 L 4.3831 8.6713 125.9721 54.9466 42.9158 176.1743 60 V 4.2383 8.7831 126.7756 62.1358 33.9077 175.1358 61 D 4.1155 9.6867 128.2768 55.6813 38.2343 174.1018 62 E 3.7261 8.2809 113.0920 56.5924 27.6989 174.7429 63 V 4.4008 7.2669 118.9101 60.6674 35.0194 174.9071 64 F 4.9821 8.5746 125.6686 57.7746 40.4373 174.1887 65 R 5.0659 9.1865 122.3308 54.6875 33.9529 173.2897 66 I 4.6269 8.8984 126.7530 58.9666 40.2653 174.7824 67 G 3.6840 8.9428 119.0579 47.3658 0.0000 173.4590 68 N 4.7581 8.8921 122.2124 52.1752 37.5655 174.3472 69 V 4.1419 7.8030 120.1338 61.7074 32.3887 174.9187 70 E 4.7476 8.6979 127.5778 55.9720 30.2288 175.9483 71 I 4.6447 8.6556 116.8480 59.7037 40.0768 173.7826 72 S 4.6385 8.9126 118.6156 59.7277 64.8442 172.7562 73 Q 5.1361 8.0708 118.0147 54.9556 30.4306 174.8140 74 V 5.2472 8.9270 116.0848 60.1128 37.1224 173.9748 75 T 5.2013 8.6907 112.2657 60.0004 71.8279 173.0177 76 I 5.0151 8.5937 116.1947 59.2001 41.7097 174.0212 77 V 4.7945 8.0014 122.2589 61.4722 34.1028 174.6778 78 G 4.0978 8.6458 113.4368 46.0121 0.0000 170.9214 79 I 4.3852 7.9915 120.1438 58.6827 40.3662 175.1668 80 I 4.1852 8.3463 130.6264 61.8438 37.1885 176.7329 81 R 4.5052 8.9379 126.8124 57.7164 31.6979 176.3049 82 H 4.8732 7.8733 116.1155 54.9240 33.4598 172.2343 83 A 4.9057 8.1612 125.0310 50.1010 21.9356 174.9316 84 E 4.3450 9.0022 124.7062 54.2496 31.5275 174.4110 85 K 4.5542 8.4592 128.7988 55.3183 32.9111 175.5438 86 A 4.8518 8.6729 129.4189 49.2544 22.3443 174.8794 87 P 4.1505 0.0000 0.0000 65.5559 31.7870 177.5553 88 T 4.4158 7.8821 112.3928 62.8580 68.3163 173.0573 89 N 5.3561 7.6642 116.9968 52.0013 41.2345 173.2917 90 I 4.7110 8.6589 121.2452 59.4966 40.1199 174.8004 91 V 4.5605 8.2553 126.5600 61.4591 33.5665 173.8154 92 Y 5.1781 8.9504 126.4917 56.5448 40.4949 175.1863 93 K 4.8564 8.8767 123.1476 55.6488 33.6037 175.6376 94 I 4.8589 8.8399 127.0665 59.3317 40.2312 174.2926 95 D 5.1482 8.8678 126.2969 52.1467 43.6346 175.6584 96 D 4.9787 8.7026 123.8858 53.2206 39.8746 176.8004 97 M 3.4847 8.8258 121.0397 56.3905 31.4128 178.1411 98 T 4.0640 7.9790 107.2466 63.6813 69.4698 173.7137 99 A 4.3825 7.3124 121.9159 51.3148 21.5306 175.2174 100 A 4.1765 8.3640 119.0988 51.6232 18.9868 175.9858 101 P 4.5336 0.0000 0.0000 63.3502 32.2271 175.5422 102 M 4.5723 8.8823 122.9745 53.7889 34.8040 174.8423 103 D 4.9403 8.5869 125.0951 54.4868 42.4469 175.2080 104 V 4.7357 9.2301 123.7257 61.0869 34.5717 173.8596 105 R 4.8777 8.9722 129.1463 54.6403 32.0979 174.3735 106 Q 4.8141 9.0537 127.6007 53.8084 32.1455 174.3316 107 W 4.9676 8.8366 126.4198 56.9039 29.7522 176.2212 108 V 4.1321 8.8419 125.4941 61.7972 32.5209 175.6764 109 D 4.3612 8.7803 122.8311 56.9735 41.1559 176.4832 *117 N 4.4428 7.6593 115.4413 53.4083 39.7462 174.5070 118 T 4.3846 8.2070 116.7695 60.0017 68.9607 174.3170 119 V 3.6841 8.2984 122.8363 62.0627 31.2922 176.1696 120 V 3.7424 8.6342 124.3272 61.8524 32.0145 174.1562 121 P 4.4265 0.0000 0.0000 61.7914 31.8980 174.3255 122 P 4.5894 0.0000 0.0000 63.8589 31.7782 176.0701 123 E 3.7060 8.8938 118.1977 57.5067 27.6262 174.2374 124 T 4.5503 7.0633 115.7541 62.1354 70.6481 173.7908 125 Y 4.4312 8.5384 124.0884 58.0190 39.3414 175.0818 126 V 4.9142 8.7878 116.6700 59.3951 36.3423 174.2594 127 K 4.8247 8.8661 124.8859 55.0806 34.0681 175.1816 128 V 4.7402 8.9071 127.3039 60.9589 34.3363 173.8488 129 A 4.9217 8.3708 129.4246 50.2160 21.7738 175.5422 130 G 3.9407 8.4311 107.9109 46.1225 0.0000 171.2793 131 H 5.5054 9.0757 117.5054 53.9336 30.6848 174.8336 132 L 4.4972 8.7620 126.5726 55.1058 42.4695 176.2300 133 R 4.6686 9.0617 124.9184 54.4622 34.3652 174.9456 134 S 4.8896 8.2060 114.8217 55.6967 64.0105 172.5028 135 F 4.9240 8.4248 125.8559 56.7774 39.7767 176.4801 136 Q 3.3238 9.1682 126.3471 57.8387 25.3710 173.2131 137 N 4.1586 8.3995 110.0630 53.9817 38.0541 172.5316 138 K 4.4895 7.5183 116.9603 53.7286 33.5213 175.4744 139 K 4.5175 8.4730 126.4919 56.8272 32.8177 176.3985 140 S 4.7267 8.9027 117.3183 57.5751 66.9883 172.7960 141 L 5.1095 8.6978 120.3112 53.0031 44.6283 176.0437 142 V 4.6337 8.7125 123.0591 61.1573 33.1776 174.3666 143 A 4.7328 8.7923 131.6781 51.6621 18.5720 176.9564 144 F 4.8997 8.3491 117.5459 57.3614 39.5186 176.3918 145 K 4.6775 7.3694 119.0737 54.8395 36.4215 175.1309 146 I 4.7917 8.4749 124.6544 59.7570 40.3130 174.5005 147 M 4.6426 8.8499 127.8769 52.7189 34.6273 173.0789 148 P 4.7093 0.0000 0.0000 62.9369 32.3668 176.0791 149 L 4.3473 8.7797 124.4334 54.2923 42.2945 176.7731 150 E 4.2226 8.8017 122.8872 56.9208 30.7694 175.4259 151 D 4.7899 7.7411 118.5060 52.5720 42.2296 176.2395 152 M 4.2992 8.4769 126.6712 57.0944 32.0349 177.9648 153 N 4.4744 8.6407 117.4635 55.9711 38.6869 176.9285 154 E 3.9978 8.3146 120.3864 58.9123 29.3124 179.0865 155 F 4.1542 8.0092 120.5684 61.5819 39.6253 177.2986 156 T 3.2604 7.6887 114.8063 66.8262 68.2065 176.5329 157 T 3.8230 7.9855 117.6396 66.7882 68.4033 176.1381 158 H 4.2328 8.1086 120.0445 59.1868 29.8310 177.2949 159 I 3.5699 7.2556 121.6585 64.4190 36.9695 178.2939 160 L 3.9351 7.5741 119.1419 57.9449 41.4308 179.5617 161 E 3.9255 8.4225 118.8585 59.1404 29.3607 179.3969 162 V 3.7939 7.9155 120.0461 65.6182 31.5989 178.2724 163 I 3.7303 7.4915 118.9176 64.3120 36.9203 178.0650 164 N 4.2985 8.3349 117.7787 56.4037 38.7307 176.8144 165 A 3.9406 8.3907 122.6472 55.6646 18.5171 179.4284 166 H 4.0612 8.3621 114.7008 58.8802 28.8087 177.7583 167 M 3.9802 8.0972 120.1163 58.7817 32.1626 178.5704 168 V 3.6254 7.9110 118.3524 65.9068 31.7347 177.9840 169 L 4.0291 8.3067 119.4977 57.6046 41.1730 179.6714 170 S 4.2027 7.9030 113.5335 61.4940 63.1581 176.3506 171 K 4.0575 7.9575 121.6798 59.0590 31.5444 179.1824 172 A 4.0226 7.8855 120.0922 55.0002 18.4327 178.7084 173 N 4.8581 8.0051 112.4519 53.1620 38.9660 175.3772 174 S 4.4035 7.1059 115.0348 57.0010 64.7535 174.6686 175 Q 3.5834 8.5220 127.3515 54.8891 26.9277 172.2184 176 P 4.4347 0.0000 0.0000 63.9847 31.6384 175.8411 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 41 A 8.26 4.30 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 42 R 7.89 4.11 0.00 1.79 1.74 0.00 3.24 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.69 0.00 43 A 8.85 4.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.23 4.29 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 45 H 8.40 4.62 0.00 3.21 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.12 4.42 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 1.01 0.00 0.00 47 V 8.59 4.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 48 P 0.00 5.29 0.00 1.99 2.13 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.80 0.00 49 C 9.14 5.29 0.00 2.81 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 50 T 8.80 4.64 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 1.20 0.00 0.00 51 I 8.94 3.71 2.03 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 1.55 0.67 0.92 0.00 0.00 52 S 8.22 4.10 0.00 4.03 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 0.00 53 Q 8.12 3.95 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 54 L 7.52 3.89 0.00 1.71 1.60 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.03 4.06 0.00 1.55 1.69 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.74 4.33 0.00 3.86 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 57 A 7.14 4.49 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.82 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 1.32 0.00 0.00 59 L 8.67 4.38 0.00 1.49 1.56 0.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.78 4.24 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 0.95 0.00 0.00 0.98 0.00 0.00 61 D 9.69 4.12 0.00 2.80 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 62 E 8.28 3.73 0.00 2.08 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 2.16 2.19 0.00 63 V 7.27 4.40 2.06 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 1.00 0.00 0.00 0.90 0.00 0.00 64 F 8.57 4.98 0.00 3.30 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 65 R 9.19 5.07 0.00 1.90 1.75 0.00 3.06 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 66 I 8.90 4.63 1.89 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 1.15 1.21 0.99 0.00 0.00 67 G 8.94 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.89 4.76 0.00 2.84 2.92 0.00 0.00 5.74 7.68 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 69 V 7.80 4.14 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 1.01 0.00 0.00 0.95 0.00 0.00 70 E 8.70 4.75 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 71 I 8.66 4.64 1.93 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 1.20 0.77 0.96 0.00 0.00 72 S 8.91 4.64 0.00 3.95 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 73 Q 8.07 5.14 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 74 V 8.93 5.25 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 0.76 0.00 0.00 0.92 0.00 0.00 75 T 8.69 5.20 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 1.21 0.00 0.00 76 I 8.59 5.02 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.97 0.95 0.00 0.00 77 V 8.00 4.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.77 0.00 0.00 78 G 8.65 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 0.00 0.00 0.00 0.00 79 I 7.99 4.39 0.56 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.12 0.60 0.00 0.00 80 I 8.35 4.19 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.13 1.04 0.00 0.00 81 R 8.94 4.51 0.00 1.76 1.96 0.00 3.31 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 82 H 7.87 4.87 0.00 3.16 3.08 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.16 4.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.00 4.35 0.00 2.06 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 2.17 2.21 0.00 85 K 8.46 4.55 0.00 1.70 1.64 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.46 7.81 86 A 8.67 4.85 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 87 P 0.00 4.15 0.00 2.21 2.21 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 88 T 7.88 4.42 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 1.32 0.00 0.00 89 N 7.66 5.36 0.00 2.40 2.61 0.00 0.00 6.64 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 90 I 8.66 4.71 1.55 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 0.96 0.69 0.08 0.00 0.00 91 V 8.26 4.56 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 1.01 0.00 0.00 0.81 0.00 0.00 92 Y 8.95 5.18 0.00 2.85 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 93 K 8.88 4.86 0.00 1.73 1.75 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.54 7.81 94 I 8.84 4.86 1.83 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 1.00 0.74 0.82 0.00 0.00 95 D 8.87 5.15 0.00 2.71 2.38 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 96 D 8.70 4.98 0.00 2.93 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 97 M 8.83 3.48 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 98 T 7.98 4.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 99 A 7.31 4.38 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 0.00 100 A 8.36 4.18 1.23 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 0.00 0.00 0.00 101 P 0.00 4.53 0.00 1.93 1.98 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 102 M 8.88 4.57 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 103 D 8.59 4.94 0.00 2.63 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 0.00 104 V 9.23 4.74 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 0.98 0.00 0.00 0.91 0.00 0.00 105 R 8.97 4.88 0.00 1.78 1.59 0.00 2.77 0.00 0.00 2.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.25 0.00 106 Q 9.05 4.81 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 107 W 8.84 4.97 0.00 3.28 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 0.00 108 V 8.84 4.13 2.29 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 0.86 0.00 0.00 0.97 0.00 0.00 109 D 8.78 4.36 0.00 2.74 2.70 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 *117 N 7.66 4.44 0.00 2.78 2.83 0.00 0.00 6.79 7.54 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 0.00 118 T 8.21 4.38 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 1.23 0.00 0.00 119 V 8.30 3.68 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 0.76 0.00 0.00 1.00 0.00 0.00 120 V 8.63 3.74 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 0.69 0.00 0.00 0.88 0.00 0.00 121 P 0.00 4.43 0.00 2.21 1.96 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 122 P 0.00 4.59 0.00 2.02 1.97 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 123 E 8.89 3.71 0.00 2.04 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 2.20 2.38 0.00 124 T 7.06 4.55 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 0.00 125 Y 8.54 4.43 0.00 2.90 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 0.00 126 V 8.79 4.91 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 0.67 0.00 0.00 0.80 0.00 0.00 127 K 8.87 4.82 0.00 1.81 1.64 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.31 7.81 128 V 8.91 4.74 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 0.77 0.00 0.00 0.81 0.00 0.00 129 A 8.37 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.43 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 0.00 131 H 9.08 5.51 0.00 3.21 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.76 4.50 0.00 1.60 1.61 0.73 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.06 4.67 0.00 1.33 0.66 0.00 2.98 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 134 S 8.21 4.89 0.00 3.87 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 0.00 135 F 8.42 4.92 0.00 3.17 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 0.00 136 Q 9.17 3.32 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 137 N 8.40 4.16 0.00 2.83 2.87 0.00 0.00 7.02 6.68 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 0.00 138 K 7.52 4.49 0.00 1.84 1.68 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.37 7.81 139 K 8.47 4.52 0.00 1.59 1.58 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.25 7.81 140 S 8.90 4.73 0.00 3.94 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 0.00 141 L 8.70 5.11 0.00 1.57 1.55 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.71 4.63 2.26 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 1.23 0.00 0.00 1.05 0.00 0.00 143 A 8.79 4.73 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.35 4.90 0.00 3.12 3.27 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 0.00 145 K 7.37 4.68 0.00 1.48 1.63 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.62 7.81 146 I 8.47 4.79 1.83 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 1.13 0.57 0.67 0.00 0.00 147 M 8.85 4.64 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 148 P 0.00 4.71 0.00 1.96 1.96 0.00 3.71 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 2.08 0.00 149 L 8.78 4.35 0.00 1.79 1.62 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.80 4.22 0.00 1.93 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 2.34 0.00 151 D 7.74 4.79 0.00 2.64 2.53 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 0.00 152 M 8.48 4.30 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 153 N 8.64 4.47 0.00 2.86 2.87 0.00 0.00 6.89 7.26 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 0.00 154 E 8.31 4.00 0.00 2.12 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 2.34 2.56 0.00 155 F 8.01 4.15 0.00 2.95 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 0.00 156 T 7.69 3.26 4.28 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 1.09 0.00 0.00 157 T 7.99 3.82 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 1.22 0.00 0.00 158 H 8.11 4.23 0.00 3.37 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.26 3.57 1.81 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.80 0.00 0.00 160 L 7.57 3.94 0.00 1.81 1.67 0.86 0.69 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 0.00 161 E 8.42 3.93 0.00 2.03 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 2.30 2.46 0.00 162 V 7.92 3.79 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 1.12 0.00 0.00 0.87 0.00 0.00 163 I 7.49 3.73 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.59 0.89 0.00 0.00 164 N 8.33 4.30 0.00 2.92 2.78 0.00 0.00 7.11 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 0.00 165 A 8.39 3.94 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 0.00 166 H 8.36 4.06 0.00 3.28 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 M 8.10 3.98 0.00 2.22 2.13 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 2.59 2.54 0.00 168 V 7.91 3.63 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 0.96 0.00 0.00 1.00 0.00 0.00 169 L 8.31 4.03 0.00 1.72 1.68 0.85 0.60 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 0.00 170 S 7.90 4.20 0.00 4.15 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 0.00 171 K 7.96 4.06 0.00 2.00 1.90 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.57 7.81 172 A 7.89 4.02 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 0.00 173 N 8.01 4.86 0.00 2.93 2.88 0.00 0.00 6.81 7.59 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 0.00 174 S 7.11 4.40 0.00 3.92 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 0.00 175 Q 8.52 3.58 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.10 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 176 P 0.00 4.43 0.00 2.18 2.03 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.