NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.5469 8.2649 123.6112 52.0457 20.2067 177.1316 4 I 3.6026 8.5747 120.3498 63.4470 37.4506 175.3940 5 F 5.0435 7.8602 117.4503 55.6124 41.9843 175.6825 6 T 4.3855 9.0026 115.7953 61.1479 69.8983 174.9335 7 H 4.3878 8.7357 120.4588 59.3028 29.8802 175.8577 8 E 4.0550 8.1393 116.3932 57.2392 29.3820 177.0815 9 G 4.0008 8.1981 106.8691 45.8460 0.0000 173.3054 10 K 5.0564 8.9075 117.8024 54.2864 36.4707 175.4882 11 V 4.8706 8.5204 115.0079 58.9086 33.7852 175.0460 12 E 5.1086 9.4075 122.3243 54.3450 33.5169 175.0979 13 G 3.8502 7.4750 105.6091 45.0945 0.0000 171.0217 14 V 4.1933 7.6235 119.3595 60.4535 32.5292 174.1918 15 P 4.2382 0.0000 0.0000 64.4013 31.4520 175.8990 16 G 4.0138 9.2492 111.8488 45.0094 0.0000 173.1734 17 N 4.9697 8.1943 117.3476 50.9447 40.5368 173.6994 18 Y 4.2296 8.7293 122.8309 57.9254 39.0665 174.4305 19 P 3.0978 0.0000 0.0000 62.9122 31.9403 176.0982 20 L 4.5321 8.1742 120.6156 55.2235 42.0728 176.5903 21 T 4.7750 7.5691 108.4356 60.7389 71.8764 174.2377 22 A 3.8382 8.7220 123.7677 55.2167 18.5975 179.6634 23 E 3.9286 8.2039 117.2776 59.6587 29.7873 178.5134 24 N 4.4612 8.3689 117.0341 56.6797 39.0282 176.8468 25 L 3.9704 8.3373 120.8785 57.6554 41.6597 179.2579 26 F 4.4878 8.3371 122.0714 60.9054 39.2995 177.4416 27 R 3.8120 8.0230 117.2829 58.8926 29.9104 179.0015 28 I 3.7531 8.1718 120.4285 64.2495 37.1858 178.7120 29 G 3.6464 8.0684 106.6575 47.5659 0.0000 175.8253 30 L 3.8865 7.4765 121.0588 57.6054 41.6403 179.5610 31 A 3.9490 8.0164 120.7145 54.7908 18.1038 179.4511 32 L 3.9037 7.9601 118.9981 58.4480 42.1874 178.8252 33 C 3.7477 7.7975 118.1009 62.6068 31.3902 175.5240 34 T 3.7922 7.8372 117.3234 66.6930 67.8409 176.2841 35 L 4.1256 8.2873 121.0959 57.9034 42.0957 178.6180 36 W 4.0914 7.9206 117.9534 58.8983 29.2117 178.5573 37 I 4.0240 7.7114 119.3244 64.0577 36.8047 179.1350 38 L 4.1265 7.9590 117.7708 54.8379 40.6753 176.9178 *44 E 4.1554 7.9670 116.6291 55.2766 30.7151 174.0435 45 P 4.9527 0.0000 0.0000 63.4323 33.0983 175.3730 46 T 5.2453 9.1094 111.0976 60.0661 72.2614 172.3075 47 L 4.7199 8.8711 127.4317 52.9757 44.5968 174.6042 48 S 5.1659 8.8577 121.4399 56.4727 64.6135 172.5771 49 I 4.4985 8.3556 121.4804 58.4668 39.5349 175.2341 50 P 4.2175 0.0000 0.0000 65.2412 31.6913 175.5044 51 E 4.5846 7.6227 114.5722 55.7065 31.8623 174.0351 52 T 4.5361 8.3263 109.7948 60.0405 69.9927 173.7883 53 N 4.9871 8.8033 123.5609 50.1979 41.8987 174.7005 54 F 4.1174 9.0158 121.3130 61.7360 39.2488 177.1022 55 V 3.3196 8.0317 117.0482 66.3019 31.5562 178.0039 56 T 3.9338 8.6234 109.7857 64.7085 68.5170 176.3325 57 L 4.0346 8.2057 121.8028 57.2844 41.5013 179.1216 58 A 3.9330 7.7622 120.9917 54.8193 18.2092 179.4729 59 L 4.1631 7.8199 118.7862 58.3280 42.0774 179.3780 60 S 4.2085 8.0379 115.2262 61.6795 62.7468 176.7099 61 V 3.7870 8.0968 121.0871 66.1221 31.0336 178.3627 62 G 3.0768 8.1491 104.9634 47.4867 0.0000 175.3199 63 F 4.1483 8.2867 123.1399 61.2928 39.3806 177.2461 64 M 4.3927 8.5838 118.7049 58.4944 31.7678 178.1318 65 N 4.5019 8.5927 117.1811 56.1934 38.7873 175.5733 66 A 4.4623 7.3127 119.6154 51.7304 19.1755 177.5827 67 G 3.8917 8.5273 106.6640 44.7497 0.0000 173.8523 68 G 3.9145 7.7528 106.8842 44.5916 0.0000 173.2844 69 S 5.4960 9.0568 116.4432 56.5952 66.3657 173.6097 70 V 5.4191 8.8925 121.6279 60.2527 35.0813 173.9120 71 N 4.7545 7.9657 121.0941 51.6458 40.6980 174.5966 72 V 3.7330 7.4228 119.3918 65.4873 31.1234 177.5997 73 G 3.2630 8.4639 106.1272 49.4892 0.0000 173.1895 *75 G 3.6511 8.2842 105.8245 44.6048 0.0000 172.3927 76 G 4.1030 8.1144 119.4291 45.2310 0.0000 174.7154 77 D 4.6689 9.4469 122.1789 57.0404 41.5878 177.3718 78 I 4.6814 7.8395 118.0089 59.1618 41.5755 174.5196 79 K 4.7812 9.1880 127.5842 54.3986 35.1326 174.1668 80 L 4.6930 8.3175 129.4104 53.5271 43.5115 175.2733 81 F 4.7037 9.4290 125.7050 55.5842 41.3716 174.4037 82 L 5.1778 8.4958 124.9728 53.0562 45.2051 175.1888 83 Q 4.4869 8.7352 123.9472 54.3422 31.0801 174.5299 84 K 4.2097 8.5836 124.4907 54.1346 32.6830 175.4825 85 G 3.9684 8.8599 120.3449 43.9600 0.0000 173.1727 86 E 4.0613 9.2814 123.0042 58.7061 29.7736 176.3242 87 I 4.9061 7.3527 109.6813 59.2331 42.0761 173.8353 88 Y 5.0264 8.9502 120.2516 57.5028 39.6936 175.2662 89 V 4.5278 8.4783 122.1721 61.3008 34.9214 173.9855 90 L 5.1473 8.9081 128.3964 53.0246 44.3855 175.3173 91 E 4.9378 8.9435 123.1320 54.5998 33.0893 174.0947 92 F 5.4145 9.0538 124.6246 56.2168 41.8270 175.2498 93 Q 4.7939 9.2398 120.4585 54.0208 32.8264 172.5415 94 P 5.1308 0.0000 0.0000 61.4441 33.3394 175.6588 95 L 4.6152 8.1918 120.6572 53.0285 44.0162 176.4658 96 S 4.5847 8.9645 120.8091 57.0365 65.8472 174.5888 97 E 3.9803 8.5334 119.0699 59.3656 29.0706 179.2882 98 T 3.8463 7.7348 116.8319 66.6427 68.6924 176.1720 99 D 4.2815 7.7972 120.2791 57.6159 40.8350 179.0658 100 I 3.4069 7.7416 120.0704 64.1066 37.0733 178.7202 101 K 4.0567 7.8911 121.6317 59.6649 31.7694 180.1179 102 K 3.9482 8.1722 124.1635 59.7440 31.5613 180.9893 103 L 4.1701 8.1803 120.9242 57.9413 41.7168 179.5206 104 E 3.8434 8.3117 118.2410 59.6528 29.1350 179.5075 105 S 4.2830 7.8239 111.8784 60.8900 62.4875 176.0663 106 I 3.9038 7.1748 122.2085 64.3599 37.0659 178.0362 107 L 4.0356 7.8264 118.4859 56.2031 42.6974 177.8456 108 F 4.9340 7.4995 118.8910 55.8214 38.3621 173.9382 *112 P 4.1272 0.0000 0.0000 61.4621 31.7436 177.8925 113 I 3.9932 8.2586 126.2444 59.0213 37.3429 174.8870 114 P 4.4655 0.0000 0.0000 63.0568 31.6556 175.4937 115 K 4.7275 8.1435 117.3412 54.8107 35.9989 175.9679 116 K 4.6841 8.7977 122.7723 55.5947 34.4901 175.2419 117 T 4.5300 7.8448 110.5914 60.2906 72.8466 174.1000 118 G 3.8794 8.7826 109.0882 46.3544 0.0000 174.7077 119 E 4.1560 8.7971 118.3443 58.2470 29.4639 177.8397 120 D 4.5036 8.1257 120.0688 56.3651 41.2539 176.1339 121 I 4.0660 7.6739 121.0419 60.6938 37.6798 176.4362 122 G 4.5380 9.0202 113.6672 46.1341 0.0000 172.0089 123 S 5.0637 8.7493 114.7837 56.4665 66.4075 172.7421 124 F 5.2034 8.6025 121.0186 56.4237 42.1671 173.5789 125 K 4.5972 8.0297 124.8328 54.3984 35.1278 176.3541 126 C 4.3772 8.8648 121.7713 60.1175 28.1027 173.5685 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 A 8.26 4.55 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 4 I 8.57 3.60 1.97 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 1.22 0.44 0.00 0.00 5 F 7.86 5.04 0.00 3.11 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 6 T 9.00 4.39 4.46 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 1.34 0.00 0.00 7 H 8.74 4.39 0.00 3.15 3.41 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.14 4.05 0.00 2.02 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 2.33 2.36 0.00 9 G 8.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.91 5.06 0.00 1.70 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.45 7.81 11 V 8.52 4.87 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 0.34 0.00 0.00 0.87 0.00 0.00 12 E 9.41 5.11 0.00 2.07 1.88 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 2.18 2.32 0.00 13 G 7.47 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 0.00 0.00 0.00 14 V 7.62 4.19 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 1.03 0.00 0.00 0.93 0.00 0.00 15 P 0.00 4.24 0.00 1.79 1.75 0.00 3.42 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.00 16 G 9.25 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 0.00 0.00 0.00 17 N 8.19 4.97 0.00 2.74 2.76 0.00 0.00 6.43 7.72 0.00 0.00 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 Y 8.73 4.23 0.00 2.97 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 19 P 0.00 3.10 0.00 1.78 1.47 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 20 L 8.17 4.53 0.00 1.94 1.71 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.57 4.78 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 1.44 0.00 0.00 22 A 8.72 3.84 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 23 E 8.20 3.93 0.00 2.08 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 2.45 2.38 0.00 24 N 8.37 4.46 0.00 3.07 2.89 0.00 0.00 7.31 6.11 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 25 L 8.34 3.97 0.00 1.74 1.65 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.34 4.49 0.00 3.19 3.37 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 27 R 8.02 3.81 0.00 2.11 1.94 0.00 3.43 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 28 I 8.17 3.75 2.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 0.89 0.00 0.00 29 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.48 3.89 0.00 1.65 1.52 0.69 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.02 3.95 1.25 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 0.00 0.00 32 L 7.96 3.90 0.00 1.88 1.95 0.61 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.80 3.75 0.00 1.64 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 34 T 7.84 3.79 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 1.18 0.00 0.00 35 L 8.29 4.13 0.00 1.69 2.13 0.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 W 7.92 4.09 0.00 3.61 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 37 I 7.71 4.02 1.85 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 1.52 0.71 0.90 0.00 0.00 38 L 7.96 4.13 0.00 1.67 1.65 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *44 E 7.97 4.16 0.00 1.98 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 0.00 2.21 2.40 0.00 45 P 0.00 4.95 0.00 2.00 2.13 0.00 3.48 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 46 T 9.11 5.25 4.20 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 0.00 0.00 0.00 1.27 0.00 0.00 47 L 8.87 4.72 0.00 0.27 0.37 0.69 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.86 5.17 0.00 3.87 3.49 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 49 I 8.36 4.50 1.81 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 1.34 0.48 0.83 0.00 0.00 50 P 0.00 4.22 0.00 2.09 2.03 0.00 3.66 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 1.87 1.79 0.00 51 E 7.62 4.58 0.00 2.04 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 2.12 2.26 0.00 52 T 8.33 4.54 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 1.39 0.00 0.00 53 N 8.80 4.99 0.00 3.15 3.04 0.00 0.00 6.14 8.01 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 54 F 9.02 4.12 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.03 3.32 2.48 0.00 0.00 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 0.00 0.00 0.97 0.00 0.00 56 T 8.62 3.93 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 1.29 0.00 0.00 57 L 8.21 4.03 0.00 1.71 1.64 0.85 0.48 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 58 A 7.76 3.93 1.02 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 59 L 7.82 4.16 0.00 1.95 1.88 1.11 1.04 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 60 S 8.04 4.21 0.00 4.18 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.10 3.79 2.25 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 1.28 0.00 0.00 0.96 0.00 0.00 62 G 8.15 3.08 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 63 F 8.29 4.15 0.00 3.26 3.20 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 0.00 0.00 0.00 0.00 64 M 8.58 4.39 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.86 0.00 65 N 8.59 4.50 0.00 3.11 2.89 0.00 0.00 7.09 8.83 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 66 A 7.31 4.46 1.11 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 67 G 8.53 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 0.00 0.00 0.00 68 G 7.75 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 0.00 0.00 0.00 69 S 9.06 5.50 0.00 3.80 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 70 V 8.89 5.42 2.12 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 0.89 0.00 0.00 0.95 0.00 0.00 71 N 7.97 4.75 0.00 2.53 2.64 0.00 0.00 5.68 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 72 V 7.42 3.73 2.16 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 1.02 0.00 0.00 0.92 0.00 0.00 73 G 8.46 3.26 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 0.00 0.00 0.00 0.00 *75 G 8.28 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.11 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 77 D 9.45 4.67 0.00 2.56 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 78 I 7.84 4.68 1.37 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 79 K 9.19 4.78 0.00 1.59 1.47 0.00 1.40 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.51 0.96 7.81 80 L 8.32 4.69 0.00 1.44 1.44 0.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.43 4.70 0.00 2.86 2.85 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 82 L 8.50 5.18 0.00 1.43 1.34 0.74 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.74 4.49 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 84 K 8.58 4.21 0.00 1.52 1.68 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.30 1.02 7.81 85 G 8.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 9.28 4.06 0.00 1.94 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 0.00 2.32 2.40 0.00 87 I 7.35 4.91 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.94 0.00 0.00 88 Y 8.95 5.03 0.00 3.01 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 89 V 8.48 4.53 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 1.04 0.00 0.00 0.96 0.00 0.00 90 L 8.91 5.15 0.00 1.64 1.17 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.94 4.94 0.00 1.97 1.78 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 2.27 2.32 0.00 92 F 9.05 5.41 0.00 3.09 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 93 Q 9.24 4.79 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.52 2.94 0.00 94 P 0.00 5.13 0.00 2.29 2.15 0.00 4.02 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 95 L 8.19 4.62 0.00 1.77 1.66 0.93 1.19 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 96 S 8.96 4.58 0.00 4.05 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 97 E 8.53 3.98 0.00 2.20 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 2.35 2.39 0.00 98 T 7.73 3.85 4.20 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 0.00 0.00 0.00 1.16 0.00 0.00 99 D 7.80 4.28 0.00 2.91 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 0.00 100 I 7.74 3.41 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.40 0.52 0.00 0.00 101 K 7.89 4.06 0.00 1.91 1.84 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 102 K 8.17 3.95 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 103 L 8.18 4.17 0.00 1.81 1.77 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.31 3.84 0.00 2.29 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 2.61 2.50 0.00 105 S 7.82 4.28 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.17 3.90 1.93 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 1.50 0.91 0.88 0.00 0.00 107 L 7.83 4.04 0.00 0.97 1.06 0.79 0.70 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 0.00 108 F 7.50 4.93 0.00 3.21 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 *112 P 0.00 4.13 0.00 2.11 1.93 0.00 3.74 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 1.84 1.62 0.00 113 I 8.26 3.99 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.85 0.00 0.00 114 P 0.00 4.47 0.00 2.16 2.06 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 115 K 8.14 4.73 0.00 1.64 1.88 0.00 2.09 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.33 1.62 7.81 116 K 8.80 4.68 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.47 7.81 117 T 7.84 4.53 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 1.23 0.00 0.00 118 G 8.78 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 0.00 0.00 0.00 119 E 8.80 4.16 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 120 D 8.13 4.50 0.00 3.00 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 0.00 121 I 7.67 4.07 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 1.00 0.00 0.00 122 G 9.02 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 0.00 123 S 8.75 5.06 0.00 3.96 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 0.00 124 F 8.60 5.20 0.00 3.04 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 0.00 125 K 8.03 4.60 0.00 1.54 1.57 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.34 7.81 126 C 8.86 4.38 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.