NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4214 8.1585 120.3257 55.5558 34.1626 177.5859 2 A 3.8578 7.7958 120.1054 54.3947 18.3769 177.8853 3 A 3.9240 8.3435 121.0067 54.9591 18.8255 177.8615 4 A 3.8908 7.8649 118.6716 55.4819 18.7385 179.6386 5 A 3.9095 7.7934 118.8337 55.0767 18.3455 180.1230 6 V 3.5462 7.4456 117.1835 66.3593 31.5859 178.5339 7 S 4.1854 8.1983 114.9319 61.1603 62.5667 176.5986 8 S 4.0153 8.3717 116.1922 61.2693 62.1309 175.7047 9 A 3.9583 7.7663 123.0407 55.3107 18.0846 179.5515 10 K 3.8024 8.0056 116.5125 59.6674 32.2090 179.1839 11 R 3.8445 8.2348 119.0355 59.7679 29.9444 178.2219 12 S 4.0954 8.3976 114.9640 61.9069 62.9681 176.5930 13 L 3.9567 8.2666 122.8964 58.2986 41.7161 179.3544 14 R 4.0064 8.5455 118.5339 59.3106 29.9561 178.7453 15 G 3.6388 8.1399 105.4053 47.8014 0.0000 174.7820 16 E 3.9208 8.2802 121.9431 58.8158 29.6857 179.3344 17 L 3.9799 7.9404 118.4463 57.9640 41.2826 179.8422 18 K 4.3467 8.7290 121.0117 60.1601 31.6330 179.6722 19 Q 4.0782 8.2205 121.3017 59.8979 28.1480 181.8150 20 R 4.2557 8.4519 120.5069 57.5186 30.5647 179.3152 21 L 4.1826 9.0774 119.8952 55.6458 42.4900 179.0509 *22 R 4.0249 5.8400 130.3067 58.9800 28.4959 178.6392 *24 M 4.2905 7.4389 117.4227 53.8352 32.8521 178.0893 25 S 4.3224 8.3699 119.8655 57.5627 64.9348 175.0595 26 A 4.0045 8.4785 124.4439 55.2599 18.1011 179.9664 27 E 3.9152 8.0812 115.7567 59.4045 29.8224 178.7302 28 E 3.8426 7.8450 119.4786 59.0714 29.4677 178.4541 29 R 3.7922 7.9454 118.6769 59.8379 29.9173 178.2683 30 L 4.0720 8.0637 118.3605 57.5891 41.6207 179.0483 31 R 3.8847 8.3354 119.1238 59.8397 30.0120 178.2644 32 Q 4.0983 8.2844 118.9723 59.4005 28.9242 178.6476 33 S 4.1401 8.0283 116.0737 61.5060 63.0609 176.5448 34 R 3.8411 8.2843 121.6319 59.0002 29.7046 178.8735 35 V 3.6967 7.5348 117.8964 65.9060 31.6679 177.9696 36 L 3.9736 7.8547 118.6996 57.7536 41.3267 179.5615 37 S 3.9497 8.2195 115.3270 61.8715 62.8605 176.8202 38 Q 3.9728 7.5772 119.2178 59.0186 28.2440 179.1310 39 K 3.9695 7.9005 118.3263 59.3047 32.2836 179.3837 40 V 3.7121 8.0340 118.8636 66.2215 31.3255 178.1667 41 I 3.7644 7.7927 118.1478 63.7099 36.9438 177.2079 42 A 4.5491 7.4746 118.4153 51.3488 19.6334 176.8150 43 H 4.4420 8.2056 119.6046 55.7460 31.7778 176.0598 44 S 4.0895 8.3724 124.1159 62.0269 62.6449 176.8810 45 E 3.8733 8.1887 120.1647 58.7140 28.9007 178.6659 46 Y 4.0966 8.0417 119.6440 60.6864 38.8830 177.0232 47 Q 3.9228 8.2273 117.9048 59.2682 28.9781 179.2364 48 K 4.0734 8.0501 118.2174 58.2219 32.4249 178.2357 49 S 4.3661 6.9891 112.6389 58.1475 64.0237 173.4472 50 K 4.3574 8.8684 119.7818 57.5405 35.3033 175.9169 51 R 5.0142 8.4259 120.8792 54.8728 31.6255 175.6181 52 I 5.0342 8.9606 125.5408 59.4476 40.7444 174.6252 53 S 5.3802 9.1464 121.4954 56.8096 64.3483 172.6465 54 I 5.2244 9.1874 126.8674 59.5174 41.6991 174.0555 55 F 4.8547 8.3349 122.1398 55.3654 39.8488 175.0286 56 L 4.5078 8.3647 121.6343 53.0371 42.2388 177.0541 57 S 4.6233 8.6417 120.9300 59.0275 63.3010 174.5177 58 M 4.5800 9.1136 125.3258 54.2096 33.0431 177.4198 59 Q 4.1948 8.6712 118.5747 58.6419 28.9361 176.6867 60 D 5.1191 8.0035 116.5691 52.9363 40.2516 175.9531 61 E 4.7416 8.1229 117.6160 55.4615 33.8233 175.4862 62 I 3.2629 7.8816 122.3377 61.8778 37.5772 175.1322 63 E 4.2076 8.7536 126.1747 56.0121 29.5432 176.6418 64 T 4.0948 8.6197 117.2721 61.4756 69.2044 175.7915 65 E 3.8324 7.9414 123.6580 59.8968 29.7109 178.4593 66 E 3.9004 8.0286 118.4284 59.3561 29.7797 178.6084 67 I 3.5289 7.4812 119.2855 64.3550 37.0078 178.2290 68 I 3.6786 7.9369 120.9643 64.3512 36.8839 178.6093 69 K 4.1077 8.0086 119.0418 59.6125 32.0672 178.8937 70 D 4.4963 8.1391 117.5635 56.8527 41.0200 178.3718 71 I 3.9820 7.6823 122.1475 63.9777 37.2309 178.3201 72 F 4.2839 8.0302 118.5243 60.4843 38.5701 177.8335 73 Q 4.1866 7.9986 116.5774 58.1750 28.4999 178.0703 74 R 4.6700 7.5441 116.7620 55.7120 32.0732 176.1993 75 G 4.0627 7.7519 104.1443 46.4229 0.0000 174.1797 76 K 4.4811 7.4399 116.1968 54.9365 34.3557 178.2654 77 I 4.0247 8.5312 124.7204 60.7327 38.0352 174.5343 78 C 4.7302 8.1647 128.3515 58.5379 33.0822 172.2182 79 F 5.4199 9.4179 124.0494 55.6546 42.9101 173.9430 80 I 5.3970 8.8537 114.9614 57.1218 41.0159 173.1182 81 P 4.5684 0.0000 0.0000 63.1464 32.4577 176.4490 82 R 4.6100 9.1576 123.3033 54.8681 31.9808 173.5759 83 Y 4.9679 8.4099 123.5389 55.6808 39.9570 174.8979 84 R 4.8174 8.9156 119.8634 54.4417 32.4043 177.5007 85 F 4.7580 9.2746 118.2458 59.4687 38.7846 176.9053 86 Q 3.7776 7.5890 120.2070 58.2380 29.1961 175.8409 87 S 4.9019 7.2197 114.2020 57.9732 63.8395 174.4018 88 N 4.0338 8.6044 115.3618 52.5343 37.7691 173.6306 89 H 5.1652 7.9855 118.5590 56.4058 32.0197 173.4581 90 M 5.0193 8.1398 119.3892 54.5330 33.7204 173.3999 91 D 5.1288 8.5375 121.1884 52.7791 44.7590 175.1839 92 M 4.7610 8.4188 120.9712 54.8717 33.4068 175.5013 93 V 5.0243 8.9823 118.0459 59.4144 34.7579 175.2575 94 R 4.1823 8.6863 125.8826 55.9372 30.4495 175.5550 95 I 4.5440 7.9725 119.5564 59.5199 39.3280 175.4714 96 E 4.4567 9.5194 123.8016 57.7978 30.5356 176.5156 97 S 3.3500 7.2903 110.9548 54.8218 65.6299 173.4704 98 P 4.3174 0.0000 0.0000 65.5133 31.0087 178.9148 99 E 3.9540 7.5060 118.1053 59.1344 29.2904 178.7314 100 E 3.9331 7.8363 119.1161 59.2966 29.1582 178.8077 101 I 3.7621 7.5735 119.8584 64.3493 36.9525 177.6289 102 S 4.3019 7.8659 113.1198 59.4575 62.9583 175.1719 103 L 4.4733 7.5617 121.2827 54.8441 43.0259 176.9041 104 L 4.1523 6.6441 117.2909 54.6369 42.6699 175.8438 105 P 4.6772 0.0000 0.0000 62.4514 33.1053 175.0229 106 K 5.2251 8.2406 118.6687 55.2721 36.3417 177.3256 107 T 4.4115 8.6986 113.6322 60.4843 70.9136 175.4850 108 S 4.1361 8.6882 114.8382 61.2402 63.0300 174.8219 109 W 4.4320 8.6142 118.9443 55.9857 28.8057 175.4447 110 N 4.3285 8.1012 114.7585 54.4493 36.3829 173.8485 111 I 4.5922 7.4901 118.1000 59.1775 39.5057 173.8311 112 P 5.1622 0.0000 0.0000 62.4965 31.8801 175.5983 113 Q 4.6530 8.5920 120.5357 54.5118 31.6749 172.4761 114 P 4.3433 0.0000 0.0000 62.8671 32.4085 178.2587 115 G 3.9500 8.2299 112.8325 45.6735 0.0000 173.0594 116 E 4.0745 8.9013 118.2231 59.5791 29.8479 179.3012 117 G 3.6802 7.9149 105.6364 47.3317 0.0000 172.7946 118 D 4.3452 7.4720 118.8976 53.5533 40.7843 175.8601 119 V 3.9267 8.3015 127.7988 62.4013 31.6309 175.0773 120 R 4.7491 8.2073 126.0563 54.0321 33.1274 175.6669 121 E 4.1613 8.6710 123.2468 56.3955 30.9038 175.1980 122 E 5.0184 8.9179 127.1073 55.4360 31.0141 176.9177 123 A 3.5685 9.2665 128.9652 55.4966 18.3061 179.4361 124 L 4.0554 7.7814 111.8057 56.0853 41.7239 177.9566 125 S 4.5290 8.2364 113.6710 59.3293 63.5752 174.8907 126 T 4.6001 8.4406 110.0031 61.2973 69.3401 173.3891 127 G 3.5317 9.8022 108.7032 45.1571 0.0000 176.5780 128 G 3.7637 7.8567 108.6969 44.7857 0.0000 172.7876 129 L 4.7450 8.1852 118.5077 53.0114 45.4228 176.2592 130 D 4.5950 9.0818 122.9501 56.7530 42.1829 176.4653 131 L 5.1271 7.7396 119.3933 53.3873 45.9559 174.8259 132 I 4.9013 8.4595 126.8345 59.4782 39.6278 174.8018 133 F 4.8426 9.4594 127.6576 57.5677 39.5701 174.9739 134 M 4.3364 9.2892 124.5906 52.9763 34.0198 174.9470 135 P 4.1533 0.0000 0.0000 61.1781 33.3456 174.7340 136 G 4.1043 7.7984 109.8896 44.6803 0.0000 172.7472 137 L 4.1250 8.1199 123.2984 57.3438 42.1146 177.8122 138 G 4.1869 7.1550 103.3195 45.0410 0.0000 171.9116 139 F 5.7264 9.2185 118.7961 54.6616 43.9178 173.6932 140 D 5.4768 8.4975 120.1749 50.7040 42.0391 177.4245 141 K 4.1222 8.6884 118.0458 59.3304 32.1817 178.2269 142 H 4.3299 8.1711 114.5626 56.5774 29.0049 175.9728 143 G 4.1096 8.4470 108.0941 45.0533 0.0000 173.7091 144 N 4.8820 8.8313 117.7282 53.3316 39.9195 173.9421 145 R 4.6131 8.4065 120.2310 54.5003 33.3782 174.7719 146 L 4.3069 8.6628 129.2100 53.3176 42.9137 176.3547 147 G 4.0471 8.1773 116.2367 44.6549 0.0000 172.5280 148 R 4.0403 8.2471 116.3343 56.6516 30.0841 177.8743 149 G 4.0310 7.6924 106.8034 45.1957 0.0000 174.7089 150 K 4.0581 7.8342 117.0598 56.0777 32.7968 177.2143 151 G 3.8416 8.0836 107.1363 46.9697 0.0000 175.5099 152 Y 4.1910 7.9952 118.8004 61.1511 37.8261 177.7897 153 Y 4.0283 8.0726 117.1111 61.0344 37.8568 177.5249 154 D 4.4451 8.3798 119.2035 57.5975 40.8152 178.8255 155 A 4.0227 7.8588 121.1890 55.2334 18.3867 179.1107 156 Y 3.9365 7.9948 118.0159 60.7830 38.8013 178.0207 157 L 4.0151 8.4543 120.3118 57.9003 41.2189 179.7342 158 K 3.9539 7.8332 118.0437 59.4058 31.9937 179.6672 159 R 3.8858 7.5632 118.6632 59.1200 29.8337 178.7806 160 C 3.9105 7.7978 116.5115 62.8441 27.9578 175.8678 161 L 3.8975 7.7645 119.3384 58.9103 41.3186 179.2059 162 Q 3.9870 7.6156 115.8189 58.8332 28.6062 177.8551 163 H 4.0461 8.1941 119.3774 57.5263 29.4601 175.7908 164 Q 4.6523 7.5043 118.5764 53.7510 30.2640 175.2046 165 E 3.9959 8.5195 122.6301 58.9088 30.0196 177.1305 166 V 4.1775 7.3197 112.3829 59.6653 33.0899 176.5759 167 K 4.2086 8.3752 123.4413 55.9277 33.3189 175.0574 168 P 4.5650 0.0000 0.0000 62.8116 32.4853 175.3650 169 Y 4.5154 8.7200 125.2094 57.6630 40.0365 174.2878 170 T 4.7199 9.0104 118.7478 60.3519 70.8289 173.5687 171 L 4.5656 8.7103 130.1555 52.9505 44.1599 174.8406 172 A 4.7909 8.6994 129.9605 50.4442 19.9515 175.6265 173 L 4.9175 8.4945 122.6707 53.0687 43.3197 175.9801 174 A 4.7088 8.3095 124.2398 50.1261 22.7005 176.0139 175 F 4.6316 8.5735 118.6566 57.0266 40.0036 176.7803 176 K 3.9188 9.1289 122.7238 59.9628 32.0842 179.3436 177 E 4.0286 8.2841 116.8491 59.3714 29.7675 177.9139 178 Q 4.2697 8.3327 116.4340 57.0310 29.1969 175.6441 179 I 4.5237 7.3101 120.1871 60.7600 37.6293 175.0591 180 C 4.8420 8.8502 122.3888 57.4031 30.5533 173.8659 181 L 4.0939 8.0990 124.9523 57.4263 42.2581 177.0073 182 Q 4.7924 7.6267 117.2972 52.9185 31.9808 176.7816 183 V 4.3897 8.0236 121.8525 59.3951 33.2546 173.9672 184 P 4.3028 0.0000 0.0000 63.6950 31.7195 176.4796 185 V 4.5891 7.9187 117.6885 59.5434 35.8496 173.0304 186 N 4.6067 8.7200 116.7690 56.7378 39.7675 177.0728 *189 D 4.7293 7.8834 114.6009 52.4433 42.1894 177.7745 190 M 4.8012 7.5145 117.4731 53.2301 34.5839 175.9715 191 K 4.3996 8.4865 122.5210 56.0000 33.5310 176.0891 192 V 4.3999 7.7726 113.2330 59.5940 33.1568 176.4761 193 D 4.3891 8.4647 124.3029 57.5638 41.3035 176.6234 194 E 4.7164 7.4855 114.7375 55.1996 33.7032 174.7013 195 V 4.7301 8.4367 118.5744 59.5644 34.4970 174.9630 196 L 4.6911 8.7208 125.4808 53.3503 44.4127 176.1063 197 Y 4.7740 7.7971 116.7805 57.4348 40.9927 173.0576 198 E 4.3990 9.4787 120.1822 56.8925 30.2771 174.9324 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 1 M 8.16 4.42 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 2 A 7.80 3.86 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 3 A 8.34 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.86 3.89 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 5 A 7.79 3.91 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 6 V 7.45 3.55 2.27 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 1.04 0.00 0.00 0.96 0.00 0.00 7 S 8.20 4.19 0.00 4.03 3.89 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 8 S 8.37 4.02 0.00 3.95 4.01 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 9 A 7.77 3.96 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 10 K 8.01 3.80 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.74 7.81 11 R 8.23 3.84 0.00 1.95 2.14 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 12 S 8.40 4.10 0.00 4.01 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 13 L 8.27 3.96 0.00 1.83 1.80 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.55 4.01 0.00 2.04 1.97 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 15 G 8.14 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.92 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 17 L 7.94 3.98 0.00 1.98 1.71 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.73 4.35 0.00 1.86 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.75 7.81 19 Q 8.22 4.08 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 20 R 8.45 4.26 0.00 1.85 2.05 0.00 3.13 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 21 L 9.08 4.18 0.00 1.81 1.33 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *22 R 5.84 4.02 0.00 1.93 1.79 0.00 3.30 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 *24 M 7.44 4.29 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 25 S 8.37 4.32 0.00 4.02 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 26 A 8.48 4.00 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 27 E 8.08 3.92 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 28 E 7.85 3.84 0.00 2.10 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 0.00 2.21 2.24 0.00 29 R 7.95 3.79 0.00 1.96 2.22 0.00 3.42 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 30 L 8.06 4.07 0.00 1.94 1.72 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.34 3.88 0.00 1.86 2.14 0.00 3.12 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 32 Q 8.28 4.10 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 33 S 8.03 4.14 0.00 4.12 3.89 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 34 R 8.28 3.84 0.00 2.05 2.05 0.00 3.09 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 35 V 7.53 3.70 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 0.98 0.00 0.00 0.98 0.00 0.00 36 L 7.85 3.97 0.00 1.74 1.64 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.22 3.95 0.00 3.95 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 38 Q 7.58 3.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 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6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 114 P 0.00 4.34 0.00 2.06 2.18 0.00 3.67 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 2.04 2.10 0.00 115 G 8.23 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 0.00 116 E 8.90 4.07 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 117 G 7.91 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 0.00 118 D 7.47 4.35 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.30 3.93 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 0.88 0.00 0.00 0.94 0.00 0.00 120 R 8.21 4.75 0.00 1.74 1.84 0.00 3.43 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 121 E 8.67 4.16 0.00 2.09 1.89 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 2.53 2.42 0.00 122 E 8.92 5.02 0.00 2.03 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 2.43 2.55 0.00 123 A 9.27 3.57 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.78 4.06 0.00 1.51 1.20 0.61 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.24 4.53 0.00 3.96 4.01 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 0.00 126 T 8.44 4.60 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 1.33 0.00 0.00 127 G 9.80 3.53 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 0.00 128 G 7.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.19 4.74 0.00 1.59 1.50 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 130 D 9.08 4.59 0.00 2.72 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 0.00 131 L 7.74 5.13 0.00 1.67 1.39 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.46 4.90 1.93 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 1.35 0.68 1.14 0.00 0.00 133 F 9.46 4.84 0.00 3.07 3.04 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 0.00 134 M 9.29 4.34 0.00 1.71 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 135 P 0.00 4.15 0.00 1.72 0.57 0.00 2.65 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 136 G 7.80 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 0.00 137 L 8.12 4.12 0.00 1.54 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.15 4.19 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 0.00 139 F 9.22 5.73 0.00 2.89 2.96 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 0.00 140 D 8.50 5.48 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.69 4.12 0.00 1.72 1.93 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.45 7.81 142 H 8.17 4.33 0.00 3.27 3.38 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.45 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 0.00 0.00 0.00 144 N 8.83 4.88 0.00 3.05 2.76 0.00 0.00 6.25 8.52 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 0.00 145 R 8.41 4.61 0.00 1.89 1.73 0.00 3.51 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.24 0.00 146 L 8.66 4.31 0.00 1.57 1.49 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.18 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 0.00 148 R 8.25 4.04 0.00 1.71 1.94 0.00 2.78 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 149 G 7.69 4.03 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 0.00 0.00 0.00 150 K 7.83 4.06 0.00 1.61 1.64 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.46 7.81 151 G 8.08 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 0.00 0.00 0.00 152 Y 8.00 4.19 0.00 2.99 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 0.00 153 Y 8.07 4.03 0.00 3.12 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 0.00 154 D 8.38 4.45 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.86 4.02 1.40 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 0.00 0.00 0.00 156 Y 7.99 3.94 0.00 3.14 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 0.00 157 L 8.45 4.02 0.00 1.77 1.75 1.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.83 3.95 0.00 1.94 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 159 R 7.56 3.89 0.00 1.69 1.71 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 160 C 7.80 3.91 0.00 2.98 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 0.00 161 L 7.76 3.90 0.00 1.74 1.75 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 162 Q 7.62 3.99 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 163 H 8.19 4.05 0.00 3.04 3.35 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 7.50 4.65 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 165 E 8.52 4.00 0.00 1.95 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 0.00 2.31 2.28 0.00 166 V 7.32 4.18 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 0.73 0.00 0.00 0.93 0.00 0.00 167 K 8.38 4.21 0.00 1.86 1.81 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 168 P 0.00 4.57 0.00 1.99 2.16 0.00 3.68 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 2.04 2.45 0.00 169 Y 8.72 4.52 0.00 3.05 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 9.01 4.72 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 171 L 8.71 4.57 0.00 1.51 1.21 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.70 4.79 0.53 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 0.00 173 L 8.49 4.92 0.00 1.62 1.56 0.61 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.31 4.71 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 F 8.57 4.63 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 K 9.13 3.92 0.00 1.89 1.94 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.79 1.65 7.81 177 E 8.28 4.03 0.00 1.98 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 0.00 2.25 2.38 0.00 178 Q 8.33 4.27 0.00 2.56 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.98 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 179 I 7.31 4.52 1.76 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 1.22 -0.34 0.71 0.00 0.00 180 C 8.85 4.84 0.00 2.89 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 0.00 181 L 8.10 4.09 0.00 1.61 1.61 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 7.63 4.79 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.47 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 183 V 8.02 4.39 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 0.90 0.00 0.00 0.88 0.00 0.00 184 P 0.00 4.30 0.00 2.06 1.96 0.00 3.64 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 1.98 2.07 0.00 185 V 7.92 4.59 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 0.79 0.00 0.00 0.93 0.00 0.00 186 N 8.72 4.61 0.00 2.68 2.86 0.00 0.00 6.77 8.06 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 *189 D 7.88 4.73 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 M 7.51 4.80 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 191 K 8.49 4.40 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 192 V 7.77 4.40 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 0.71 0.00 0.00 0.96 0.00 0.00 193 D 8.46 4.39 0.00 1.62 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 0.00 0.00 0.00 194 E 7.49 4.72 0.00 2.05 1.65 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 2.18 2.28 0.00 195 V 8.44 4.73 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 0.54 0.00 0.00 1.06 0.00 0.00 196 L 8.72 4.69 0.00 1.50 1.50 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 197 Y 7.80 4.77 0.00 3.06 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 0.00 198 E 9.48 4.40 0.00 1.86 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 0.00 2.19 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.