NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4489 8.1933 115.2912 57.7383 63.6593 174.4821 5 E 3.8289 8.9478 126.2503 58.7303 29.6324 176.8735 6 L 3.8804 8.4999 120.2447 58.1237 43.5129 177.4504 7 E 3.9860 8.2185 118.6806 59.2434 29.8592 178.9712 8 K 3.7118 8.2512 116.1052 57.5125 32.2341 178.3837 *10 L 4.0529 7.8780 120.6919 54.3957 43.2718 177.5794 11 K 4.1860 7.8433 116.8703 55.9243 32.0939 176.7758 12 G 4.3692 8.2248 104.4781 45.9463 0.0000 172.9521 13 E 4.7474 7.8990 118.3951 53.9452 32.1852 175.5417 14 H 4.4277 8.5886 117.2205 56.2204 29.2624 175.0724 15 F 5.0087 7.8128 116.0466 55.8617 40.8115 172.9035 16 D 4.6897 9.6464 122.1418 52.5204 41.5538 177.7079 17 G 3.9162 8.7741 116.1574 48.3109 0.0000 173.7544 18 A 4.2718 8.7809 121.4702 52.7009 19.0967 178.0272 19 S 4.0815 7.8667 110.1763 58.6312 63.7881 174.7767 20 A 4.0195 8.6843 130.6686 55.4000 18.3874 179.7122 21 E 3.9297 8.2300 115.6134 59.6046 29.4065 179.4165 22 I 3.7566 7.6953 120.2023 64.1587 37.2974 177.5105 23 E 3.9805 8.4546 120.0847 59.3535 29.4281 178.6971 24 A 3.9766 8.3471 120.8437 55.1621 18.4200 178.9742 25 L 3.9212 8.0046 118.8572 58.7452 41.9848 179.3143 26 R 3.8283 8.3231 118.3958 59.3870 29.8775 178.7626 27 S 4.0597 8.3583 115.1778 61.5815 62.9324 175.9689 28 Q 3.9180 8.5184 122.5455 59.4204 28.6139 178.9889 29 A 4.0525 8.3191 121.5393 55.0849 18.5683 179.4419 30 G 3.7052 8.2303 104.5809 48.1408 0.0000 175.4360 31 R 3.8845 8.1953 121.8807 59.1529 30.0298 178.5524 32 L 3.9674 7.9829 118.4983 57.6259 41.4789 179.6304 33 K 3.9139 8.2515 118.6384 59.3573 31.9969 179.0999 34 L 3.9708 7.7407 119.9428 58.2812 41.8392 178.9266 35 E 3.9712 7.8339 116.9973 59.3153 29.7869 179.1881 36 I 3.8296 8.0039 120.0943 64.6080 37.0425 178.3857 37 N 4.4819 8.8288 116.5461 55.4348 38.3052 176.4840 38 Q 4.4991 7.5814 117.2697 54.6317 29.6272 174.8649 39 S 4.6892 7.4224 114.9659 56.9486 63.6134 173.9381 40 L 4.4003 8.3530 125.2308 54.8310 42.7109 176.4084 41 D 4.6092 7.6677 118.7639 52.8051 41.8198 175.7633 42 E 3.9189 8.8735 128.3347 59.7021 29.6324 178.5807 43 A 4.0469 8.2463 120.5179 54.9313 18.3987 179.2662 44 E 3.9012 8.2454 117.5554 59.4494 29.8770 179.0166 45 R 3.8976 8.1416 118.1636 59.3469 30.1415 178.3792 46 Y 4.1347 8.2426 120.0806 60.1053 39.0047 177.6359 47 A 4.0134 8.1316 121.6854 55.5915 18.5240 179.7105 48 L 4.0415 7.9766 116.5647 57.4590 41.1682 179.5613 49 Q 3.5380 7.6809 118.1588 58.2938 28.4038 178.4557 50 R 3.8860 7.4992 118.4336 58.5903 30.0527 177.9425 51 E 4.1389 7.2819 117.1848 58.0257 29.8144 177.9638 52 L 3.9468 7.3375 119.8656 57.0795 42.4981 177.2098 53 F 5.1585 7.7606 116.9916 56.5752 40.0587 176.1656 54 G 3.8100 8.8301 110.5091 49.1081 0.0000 173.8207 55 H 5.0145 7.9673 118.8599 54.4473 33.6719 172.1418 56 L 4.8099 8.1129 126.2674 53.1053 44.3579 176.2452 57 G 4.0592 8.7846 114.2740 45.0500 0.0000 172.1464 58 H 4.3820 8.9755 120.0797 56.5305 30.7532 175.5330 59 K 3.8664 8.3500 122.8957 57.6620 29.5708 174.8540 60 S 5.0740 8.1039 112.6506 57.2501 65.5360 173.5619 61 C 4.9851 9.0505 118.9575 58.0836 32.3222 173.5516 62 V 4.4238 8.2414 121.6779 61.0529 33.4388 174.8124 63 Q 4.3992 8.6899 128.5602 54.9196 29.2838 174.8659 64 P 4.7227 0.0000 0.0000 61.3505 32.6832 173.9196 65 P 4.7030 0.0000 0.0000 62.7615 32.7620 174.6216 66 F 4.8608 8.9987 124.5581 56.6879 41.7597 173.9176 67 H 5.0351 8.1960 122.9332 54.1497 31.8740 172.5782 68 C 4.6129 8.3605 115.6706 57.7672 32.1368 173.2509 69 E 4.0560 9.0086 119.3663 57.3851 30.0094 176.4967 70 F 4.6989 9.2499 115.2647 56.9582 41.7555 176.0011 71 G 4.6170 9.6771 113.1040 46.0339 0.0000 175.8971 72 K 4.2108 7.9059 118.6386 58.5638 32.5220 178.6959 73 T 4.1247 8.0128 108.1637 62.8783 69.4703 173.5735 74 I 4.8753 7.7575 124.8733 60.0881 39.2952 174.8903 75 R 4.9556 9.1586 125.6981 54.4118 33.7840 174.2870 76 I 4.6482 8.5585 125.0749 59.4933 39.6756 176.1608 77 G 4.1001 8.5009 117.0934 46.2150 0.0000 171.8737 78 D 4.8522 9.1404 120.6129 54.3279 43.0260 176.7212 79 H 4.4910 8.5380 116.7147 56.6271 27.0985 174.3351 80 T 5.1082 8.3172 114.7366 61.7600 71.7362 173.8113 81 F 5.1851 9.2998 127.1645 56.4663 42.7445 173.4670 82 I 4.4813 7.7879 126.6638 59.9074 40.1070 173.5793 83 N 4.2802 8.9949 129.3745 54.0554 38.9588 175.5109 *85 N 4.8465 9.1418 113.2894 53.2015 41.6042 172.4688 86 V 4.1939 7.8805 117.0867 62.3478 33.1291 175.0288 87 V 4.8056 8.0617 126.2765 60.0193 35.5967 173.9315 *89 L 4.5276 8.2478 120.3597 54.2684 42.8356 177.6480 90 D 5.3528 8.6242 127.0612 52.5310 39.9860 178.1125 91 G 3.5210 8.7530 110.4754 48.7326 0.0000 173.8175 92 A 4.8210 7.3759 119.7841 48.8397 22.2180 174.5979 93 P 4.5504 0.0000 0.0000 63.4120 32.9278 175.5845 94 I 5.0536 8.7611 123.4089 59.9210 40.7331 174.5096 95 T 5.0505 8.9390 123.5476 61.7178 72.0063 173.0910 96 I 4.8480 8.9783 127.1481 59.5913 40.5738 176.3714 97 G 4.1845 8.6119 115.4938 46.1146 0.0000 172.5380 98 D 4.8710 9.6646 120.1186 54.3427 42.8228 176.8670 99 H 4.8050 8.6555 116.1026 56.2236 27.1084 174.3785 100 V 4.4123 7.7094 119.7463 62.4235 32.8506 174.6027 101 L 5.4254 9.1693 127.6499 53.1210 44.6508 175.3725 102 I 5.0463 9.0055 124.2189 59.3235 40.3252 175.8473 103 G 4.3515 9.1860 114.9052 45.2456 0.0000 171.4336 104 P 4.4646 0.0000 0.0000 63.0389 32.3832 177.2133 105 S 4.4655 8.6504 116.1617 59.3294 60.7383 171.4997 106 T 4.5955 7.7164 116.4762 63.4210 70.0179 173.5960 107 Q 5.1700 9.6458 124.8954 54.1311 32.0371 174.4193 108 F 4.8322 9.2773 123.2831 56.0278 40.8557 175.0325 109 Y 4.9332 8.3530 123.1752 56.4210 38.8108 175.9465 110 T 4.3066 9.1048 116.7052 64.4578 70.1342 175.1782 111 A 4.6470 8.0718 122.5645 52.1671 19.6008 176.5294 112 S 4.5003 8.4884 113.8006 57.9049 66.6883 172.4631 113 H 5.3556 8.3755 118.1614 53.6207 32.6426 173.6979 114 S 4.3580 8.6824 114.6231 57.9938 62.9106 174.5847 115 L 4.0684 8.4392 125.9946 57.1989 41.9015 176.8717 116 D 4.6045 8.1531 119.9508 53.1021 41.5671 176.4795 117 Y 4.2334 8.6668 126.1784 60.3538 37.6583 178.5727 118 R 3.7974 7.1554 118.3747 58.2454 30.1599 177.8608 119 R 4.4520 7.5867 115.6549 56.1568 30.6364 177.3546 120 R 4.6684 7.7091 117.5357 55.9631 30.8853 177.1630 121 Q 4.0845 8.2435 119.6069 57.8964 29.4067 176.0779 122 A 4.4477 8.5171 119.9004 51.3140 19.1436 176.1427 123 W 3.8244 8.4159 116.1841 58.8497 27.1843 174.8426 124 E 4.0707 8.4751 117.1843 57.1525 29.4294 176.7535 125 T 5.0012 8.0377 118.9143 61.8216 72.9345 173.2311 126 I 4.7171 8.4073 124.4318 59.7603 40.8969 174.1583 127 C 5.8448 8.7127 123.2969 57.2730 30.9708 172.9642 128 K 4.9833 8.4504 121.1104 53.7913 35.6015 174.5451 129 P 4.7158 0.0000 0.0000 62.8622 32.9637 175.1526 130 I 4.9186 8.5112 122.6511 59.5829 40.6658 174.8621 131 V 4.8418 8.8340 125.3862 61.2901 34.7077 174.1125 132 I 4.5627 8.8822 129.7927 59.5647 38.7820 175.5742 133 E 4.6429 8.8197 127.3362 55.5330 30.7612 176.7263 134 D 4.5642 8.6484 120.0192 55.8125 42.2538 177.1608 135 D 4.8822 9.0594 119.7066 55.1074 39.1090 173.7739 136 V 4.4445 7.5797 118.6841 62.2362 33.4649 174.7002 137 W 5.4106 9.2553 135.0000 55.9427 33.1451 173.8924 138 I 4.3686 9.0235 129.8276 59.9503 38.2885 177.1069 139 G 4.0412 8.4788 116.0953 45.8502 0.0000 172.9160 140 G 4.0198 8.6977 106.1622 45.4510 0.0000 173.5407 141 N 4.7196 8.8891 116.5111 53.3648 38.1893 173.6261 142 V 4.3943 7.4274 115.2278 61.5944 33.4897 174.5695 143 V 4.6049 8.5927 127.3133 61.1842 33.7195 174.2265 144 I 4.5038 8.1922 129.1124 59.5958 39.3874 175.5907 145 N 5.2453 8.5876 125.6787 51.7741 40.2515 174.9645 146 Q 3.9759 8.5729 118.0119 57.2427 29.3194 176.6343 147 G 4.0561 8.7325 108.5930 45.4197 0.0000 173.2533 148 V 4.4683 7.3969 118.7925 61.5903 34.0635 174.6297 149 T 5.0408 8.7318 121.8876 61.8351 72.1265 172.8343 150 I 4.5678 9.2054 127.9812 59.3035 39.0632 175.7831 151 G 4.0826 8.6876 114.9111 45.7267 0.0000 173.1590 152 A 4.3214 8.7944 123.6419 52.5315 19.5336 177.8580 153 R 4.6693 8.6559 117.9079 56.9436 28.5054 176.0985 154 S 5.0108 7.9135 111.4689 56.7574 66.7367 173.5668 155 V 4.7296 8.6372 122.3402 61.1410 34.2386 174.3318 156 V 4.5723 8.4268 128.2308 60.7911 32.7511 174.9608 157 A 4.2119 8.5671 130.2700 51.5634 19.5632 176.6206 158 A 3.9156 8.3363 122.6162 53.8791 18.8519 177.2594 159 N 5.0419 8.7435 118.2082 54.4415 38.3472 174.5258 160 S 4.6163 7.4683 112.0280 57.9493 64.8157 173.5956 161 V 4.5966 8.5333 114.8121 59.7577 34.6948 175.1690 162 V 4.3680 8.8552 127.3953 61.7156 31.8219 175.9295 163 N 4.6104 8.8269 125.9415 54.1463 39.3264 174.6778 164 Q 4.6485 7.5162 114.1672 54.0944 32.1748 174.1628 165 D 4.6506 8.7423 118.8506 55.0489 41.9283 176.6142 166 V 4.4053 8.1836 121.3635 60.2427 33.4757 173.5323 167 P 4.8629 0.0000 0.0000 61.9333 32.0022 174.3777 168 P 4.3647 0.0000 0.0000 63.0625 32.5538 174.9682 169 D 4.6462 8.8153 116.7820 54.8624 39.0043 173.6840 170 T 5.0384 7.9137 113.4366 61.8093 73.4417 173.2575 171 L 4.8989 8.9075 128.0005 54.0507 43.7116 175.7565 172 V 4.9428 8.5334 118.8494 59.9683 35.9481 174.6618 173 G 4.5407 9.1568 108.1454 46.1683 0.0000 173.3595 174 G 4.2949 9.4336 106.7552 44.5541 0.0000 172.2710 175 T 4.7567 7.7681 113.7686 61.0552 71.0970 172.9000 176 P 4.7209 0.0000 0.0000 61.7726 32.4274 176.5054 177 A 4.4515 8.4453 124.0964 52.3622 18.9946 177.1673 178 R 4.7122 8.8019 116.4721 54.1380 33.7987 174.3301 179 I 4.0974 8.3034 120.9109 61.5848 37.0797 175.6763 180 L 4.4617 8.7180 127.5314 56.4611 43.0480 177.0098 181 R 4.5832 7.5166 115.9959 55.2353 33.5531 173.5366 182 S 4.7915 8.6140 119.1656 57.6078 63.2742 173.6002 183 L 4.5921 8.8529 126.0356 54.3988 42.1233 177.0010 184 K 4.0966 7.7031 121.1293 55.8561 32.8443 176.1885 185 D 4.4998 8.5832 122.5217 54.6645 41.1037 175.9487 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 4 S 8.19 4.45 0.00 3.87 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 5 E 8.95 3.83 0.00 2.15 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 2.37 2.38 0.00 6 L 8.50 3.88 0.00 1.61 1.70 0.72 0.81 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 7 E 8.22 3.99 0.00 2.01 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 2.35 2.31 0.00 8 K 8.25 3.71 0.00 2.11 2.06 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.74 7.81 *10 L 7.88 4.05 0.00 1.70 1.69 0.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.84 4.19 0.00 1.73 1.92 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.74 1.35 7.81 12 G 8.22 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 4.75 0.00 2.12 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 2.29 2.28 0.00 14 H 8.59 4.43 0.00 3.13 3.24 0.00 5.91 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.81 5.01 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 9.65 4.69 0.00 2.66 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 17 G 8.77 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 0.00 0.00 0.00 0.00 18 A 8.78 4.27 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.87 4.08 0.00 4.01 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 20 A 8.68 4.02 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 21 E 8.23 3.93 0.00 2.21 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 0.00 2.37 2.40 0.00 22 I 7.70 3.76 2.16 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 1.44 0.60 1.19 0.00 0.00 23 E 8.45 3.98 0.00 2.14 2.14 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 2.36 2.43 0.00 24 A 8.35 3.98 1.42 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 0.00 0.00 0.00 25 L 8.00 3.92 0.00 1.97 2.11 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.32 3.83 0.00 2.19 2.08 0.00 3.38 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.00 27 S 8.36 4.06 0.00 4.03 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 28 Q 8.52 3.92 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 29 A 8.32 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.23 3.71 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 0.00 0.00 0.00 31 R 8.20 3.88 0.00 1.86 2.08 0.00 3.18 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 32 L 7.98 3.97 0.00 1.66 1.59 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.25 3.91 0.00 1.95 1.88 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.48 7.81 34 L 7.74 3.97 0.00 1.89 1.75 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.83 3.97 0.00 1.99 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 2.33 2.54 0.00 36 I 8.00 3.83 2.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.86 0.00 0.00 37 N 8.83 4.48 0.00 2.74 2.90 0.00 0.00 7.03 7.57 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 38 Q 7.58 4.50 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 39 S 7.42 4.69 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 40 L 8.35 4.40 0.00 1.66 1.68 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.67 4.61 0.00 2.75 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 42 E 8.87 3.92 0.00 2.08 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 2.37 2.42 0.00 43 A 8.25 4.05 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 44 E 8.25 3.90 0.00 2.05 2.13 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 2.37 2.40 0.00 45 R 8.14 3.90 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 46 Y 8.24 4.13 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.13 4.01 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.98 4.04 0.00 1.62 1.63 0.89 0.69 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 49 Q 7.68 3.54 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 1.87 2.32 0.00 50 R 7.50 3.89 0.00 1.84 1.90 0.00 3.12 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 0.00 51 E 7.28 4.14 0.00 1.99 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 2.22 2.26 0.00 52 L 7.34 3.95 0.00 1.39 1.19 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.76 5.16 0.00 2.95 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 54 G 8.83 3.81 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 0.00 0.00 0.00 55 H 7.97 5.01 0.00 3.22 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.11 4.81 0.00 1.63 1.25 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.78 4.06 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 66 F 9.00 4.86 0.00 2.99 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 67 H 8.20 5.04 0.00 2.87 3.01 0.00 5.69 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.36 4.61 0.00 3.25 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.01 4.06 0.00 1.76 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.87 0.00 70 F 9.25 4.70 0.00 3.01 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.68 4.62 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 0.00 0.00 0.00 72 K 7.91 4.21 0.00 1.86 1.90 0.00 1.70 0.00 0.00 2.04 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.40 7.81 73 T 8.01 4.12 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 1.20 0.00 0.00 74 I 7.76 4.88 2.08 0.00 0.00 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 1.25 0.77 0.42 0.00 0.00 75 R 9.16 4.96 0.00 1.65 1.78 0.00 3.06 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 76 I 8.56 4.65 1.62 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.37 0.77 0.00 0.00 77 G 8.50 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 78 D 9.14 4.85 0.00 2.62 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 79 H 8.54 4.49 0.00 3.07 3.29 0.00 5.58 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.32 5.11 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 1.25 0.00 0.00 81 F 9.30 5.19 0.00 3.11 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 82 I 7.79 4.48 1.61 0.00 0.00 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0.00 2.83 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 0.00 110 T 9.10 4.31 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 1.44 0.00 0.00 111 A 8.07 4.65 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.49 4.50 0.00 4.07 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 0.00 113 H 8.38 5.36 0.00 3.03 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.68 4.36 0.00 3.86 3.79 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 0.00 115 L 8.44 4.07 0.00 1.69 1.74 0.94 1.05 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 0.00 116 D 8.15 4.60 0.00 2.73 2.49 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 0.00 117 Y 8.67 4.23 0.00 3.27 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.16 3.80 0.00 1.76 1.83 0.00 2.91 0.00 0.00 2.45 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.00 119 R 7.59 4.45 0.00 1.90 1.95 0.00 3.10 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 120 R 7.71 4.67 0.00 1.93 1.95 0.00 3.10 0.00 0.00 3.34 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 121 Q 8.24 4.08 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.41 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 122 A 8.52 4.45 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 0.00 123 W 8.42 3.82 0.00 3.44 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 0.00 124 E 8.48 4.07 0.00 2.19 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 2.34 2.41 0.00 125 T 8.04 5.00 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 1.37 0.00 0.00 126 I 8.41 4.72 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.56 0.98 0.00 0.00 127 C 8.71 5.84 0.00 2.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.45 4.98 0.00 1.66 1.67 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.46 7.81 129 P 0.00 4.72 0.00 2.09 2.06 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 130 I 8.51 4.92 2.02 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 1.10 1.07 0.98 0.00 0.00 131 V 8.83 4.84 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 1.00 0.00 0.00 0.95 0.00 0.00 132 I 8.88 4.56 1.96 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 1.43 1.08 1.00 0.00 0.00 133 E 8.82 4.64 0.00 2.13 1.93 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 2.36 2.31 0.00 134 D 8.65 4.56 0.00 2.64 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 0.00 135 D 9.06 4.88 0.00 2.91 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 0.00 136 V 7.58 4.44 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 1.17 0.00 0.00 1.10 0.00 0.00 137 W 9.26 5.41 0.00 3.38 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 0.00 138 I 9.02 4.37 2.01 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 1.14 0.63 0.91 0.00 0.00 139 G 8.48 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 0.00 140 G 8.70 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 0.00 0.00 0.00 141 N 8.89 4.72 0.00 2.96 2.84 0.00 0.00 6.72 7.56 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 0.00 142 V 7.43 4.39 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 0.71 0.00 0.00 1.00 0.00 0.00 143 V 8.59 4.60 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 0.73 0.00 0.00 0.91 0.00 0.00 144 I 8.19 4.50 1.01 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.22 0.59 0.00 0.00 145 N 8.59 5.25 0.00 2.74 2.80 0.00 0.00 7.10 7.31 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 0.00 146 Q 8.57 3.98 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 147 G 8.73 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 0.00 0.00 0.00 148 V 7.40 4.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 149 T 8.73 5.04 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 1.22 0.00 0.00 150 I 9.21 4.57 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.97 0.91 0.00 0.00 151 G 8.69 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 0.00 152 A 8.79 4.32 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 0.00 153 R 8.66 4.67 0.00 2.08 2.04 0.00 3.11 0.00 0.00 3.28 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 154 S 7.91 5.01 0.00 3.98 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 0.00 155 V 8.64 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 0.46 0.00 0.00 1.07 0.00 0.00 156 V 8.43 4.57 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 0.84 0.00 0.00 0.85 0.00 0.00 157 A 8.57 4.21 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 0.00 158 A 8.34 3.92 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 0.00 159 N 8.74 5.04 0.00 2.83 2.89 0.00 0.00 7.20 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 0.00 160 S 7.47 4.62 0.00 3.79 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 0.00 161 V 8.53 4.60 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 0.73 0.00 0.00 0.92 0.00 0.00 162 V 8.86 4.37 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 0.91 0.00 0.00 0.83 0.00 0.00 163 N 8.83 4.61 0.00 2.73 2.84 0.00 0.00 6.93 7.69 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 0.00 164 Q 7.52 4.65 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 165 D 8.74 4.65 0.00 2.57 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 0.00 166 V 8.18 4.41 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 0.97 0.00 0.00 0.94 0.00 0.00 167 P 0.00 4.86 0.00 2.11 2.04 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 168 P 0.00 4.36 0.00 2.10 2.17 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 169 D 8.82 4.65 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 0.00 170 T 7.91 5.04 4.36 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 1.23 0.00 0.00 171 L 8.91 4.90 0.00 1.72 1.65 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.53 4.94 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 0.61 0.00 0.00 0.87 0.00 0.00 173 G 9.16 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 9.43 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 0.00 0.00 0.00 175 T 7.77 4.76 4.23 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 1.20 0.00 0.00 176 P 0.00 4.72 0.00 1.92 1.96 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 177 A 8.45 4.45 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 0.00 178 R 8.80 4.71 0.00 1.82 1.96 0.00 2.75 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 179 I 8.30 4.10 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.90 0.00 0.00 180 L 8.72 4.46 0.00 1.48 1.68 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.52 4.58 0.00 1.84 1.70 0.00 3.17 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 182 S 8.61 4.79 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.85 4.59 0.00 1.60 1.70 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.70 4.10 0.00 1.67 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.38 7.81 185 D 8.58 4.50 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.