NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3312 8.3149 120.0801 56.3090 32.9847 174.5097 3 K 4.4616 8.5775 125.3428 53.8356 34.3638 170.6452 4 V 4.0671 9.2641 126.4288 62.8908 31.9466 175.6228 5 V 4.2118 8.4836 121.1319 62.4515 32.9304 176.1447 6 A 4.3912 7.3237 119.6147 50.6777 22.4567 175.3743 7 V 4.5961 8.3191 120.9983 61.1913 33.7550 174.8223 8 V 4.1442 8.8796 129.4736 61.4434 33.0899 174.5234 9 K 4.9376 8.5930 127.5728 54.9453 33.4218 175.6180 10 L 4.8977 8.9742 124.8123 52.8437 46.0220 175.5110 11 Q 5.0143 8.4932 118.3667 54.3363 31.7376 175.0242 12 L 4.8896 9.0107 123.2145 52.0510 46.5828 174.1218 13 P 4.8411 0.0000 0.0000 61.9277 32.5939 176.0511 14 A 4.0673 8.9889 128.1457 53.8349 18.6289 178.2664 15 G 3.9243 9.0822 112.9662 46.5445 0.0000 174.8210 16 K 4.6202 8.1159 119.0419 53.7111 33.3455 181.4726 17 A 4.0843 8.3910 122.7806 53.7006 18.6137 177.8760 18 T 4.7413 7.9295 110.4389 58.9663 72.0812 172.2209 19 P 4.3561 0.0000 0.0000 63.5440 31.9471 176.2406 20 A 4.1864 7.5708 123.4886 50.8841 19.0771 175.1174 21 P 4.4569 0.0000 0.0000 62.6702 31.8262 175.4086 22 P 4.4359 0.0000 0.0000 63.9822 32.4840 178.4244 23 V 3.4608 7.8324 119.4308 66.3471 31.4610 177.3224 24 G 3.9426 8.4377 106.1419 47.1922 0.0000 173.4533 25 P 4.2314 0.0000 0.0000 64.9299 31.3182 178.4054 26 A 3.8987 7.8894 119.8868 54.6392 18.5987 179.0290 27 L 4.1505 7.8803 117.1931 57.1809 42.1301 179.4980 28 G 3.6529 8.0223 105.6385 47.7654 0.0000 175.2284 29 Q 3.9465 7.6511 120.5845 58.8420 28.9651 177.5178 30 H 4.8801 7.7739 113.5931 54.9197 29.3577 175.1782 31 G 3.8645 7.8532 107.3891 46.0150 0.0000 174.5182 32 A 4.5335 7.5603 121.2807 50.9314 18.9964 178.9731 33 N 4.5774 8.7746 118.5846 53.1037 38.7875 175.8846 34 I 3.6085 8.2101 129.1119 64.7477 37.3772 177.8937 35 M 4.0620 8.1100 118.2790 58.3259 32.0538 177.6555 36 E 4.0093 8.5105 119.4044 59.2098 29.9166 178.4232 37 F 4.3009 8.3360 120.6871 61.4149 39.3707 176.8404 38 V 3.2634 8.0478 117.9830 66.1314 31.1857 177.9829 39 K 3.8924 8.2258 117.6378 59.5250 31.8931 179.3034 40 A 4.0497 8.2107 121.0082 54.9557 18.4600 179.3134 41 F 3.6707 8.0691 119.4605 61.5854 39.1123 177.2236 42 N 4.2835 8.0987 114.3416 56.0510 38.3355 177.0448 43 A 4.0841 8.0353 121.5879 55.0700 18.6296 179.2334 44 A 4.2022 8.1010 117.7098 53.8166 18.2523 178.2084 45 T 4.3397 7.2704 106.6684 61.1350 69.1140 176.0457 46 A 4.0083 8.0646 126.2601 54.9747 18.5489 178.8377 47 N 4.8411 8.0228 111.1440 53.5028 38.8547 174.9697 48 M 4.5211 7.7662 116.7268 54.4807 33.4637 176.7826 49 G 4.0072 7.6525 109.3653 47.4845 0.0000 174.5694 50 D 4.8735 8.7521 122.9885 53.5395 41.3879 175.8470 51 A 4.1036 7.4182 121.2521 51.4722 19.4684 177.7219 52 I 4.0955 6.7807 120.7354 60.9390 38.6692 175.1821 53 V 4.4833 9.0835 127.8276 60.3706 33.4796 173.0525 54 P 5.0862 0.0000 0.0000 62.7563 32.8522 176.1640 55 V 5.0700 9.0030 122.4915 60.7517 35.4323 172.8026 56 E 5.1098 9.3595 124.7468 54.7543 31.9333 174.8035 57 I 4.8856 8.9737 126.5261 60.1631 39.4168 174.8140 58 T 4.8247 8.9902 124.6059 61.9994 70.3674 173.6456 59 I 4.8745 8.4646 127.7992 59.7313 40.4824 174.8456 60 Y 5.3075 9.0817 123.0583 55.1958 40.7153 176.7289 61 A 4.1251 8.9586 122.6662 54.6344 18.5957 178.0412 62 D 4.7522 8.2379 113.4246 53.2374 39.7932 177.4468 63 R 4.3095 8.2920 120.2826 55.9572 29.2543 176.1513 64 S 4.7327 8.2100 113.1207 58.6935 64.3027 173.1606 65 F 5.6705 8.1170 114.6033 56.3082 40.6748 172.6828 66 T 5.0510 9.2158 109.8551 60.2048 72.5693 172.2478 67 F 5.6760 8.3547 115.0636 55.6615 41.3282 173.8309 68 V 4.5954 8.8768 119.7465 61.4680 34.5344 174.5584 69 T 5.1778 8.8038 117.5570 60.8425 70.6863 173.6328 70 K 4.8638 8.7287 122.6553 54.4625 35.6773 175.8279 71 T 4.2334 8.3475 110.8864 60.4393 69.6614 172.9072 72 P 4.4733 0.0000 0.0000 61.5071 32.2302 175.0366 73 P 4.2958 0.0000 0.0000 62.9171 33.1516 177.0574 74 A 4.0557 8.8327 123.9934 55.8139 18.2688 180.4926 75 S 4.1330 8.1219 111.8338 61.6124 62.9439 175.7764 76 Y 4.0292 7.9830 122.7254 60.5178 38.4984 178.0235 77 L 3.9279 7.9295 119.3734 57.6753 41.8373 179.2020 78 I 3.6576 7.5872 119.6275 64.7366 37.0314 178.6987 79 R 3.8835 7.8106 118.5502 59.0545 29.7160 179.1418 80 K 3.7396 7.7696 119.3051 59.3053 31.9397 178.8550 81 A 4.0027 8.0751 120.1503 54.4208 18.7617 178.5343 82 A 4.3325 8.1352 117.8284 51.9377 18.7812 178.6093 83 G 3.6139 7.5016 105.1165 45.7119 0.0000 174.1792 84 L 4.2078 7.9681 120.6422 53.6951 40.6742 176.0450 85 E 4.6999 8.2493 120.8349 53.5989 32.4830 175.4833 86 K 3.9413 8.4361 120.4749 56.6536 32.8554 173.1931 87 G 3.5869 8.4248 121.1448 45.3547 0.0000 172.5980 *89 H 4.6054 8.3413 121.6477 55.1432 29.9680 173.0943 90 K 4.6757 8.1611 121.2459 53.7167 35.3856 174.3025 91 P 4.3020 0.0000 0.0000 64.0291 32.3164 178.3157 92 G 3.8364 8.5173 107.2446 44.6256 0.0000 172.9928 93 R 3.9314 8.4588 118.9411 57.0791 30.6156 175.5160 94 E 4.6779 8.3505 121.1324 54.5218 32.8580 174.3212 95 K 4.4145 8.3912 124.6783 55.0104 33.5345 176.8353 96 V 3.8500 8.1456 122.7477 62.7780 32.6041 175.5804 97 G 4.1027 8.5512 111.2698 46.3056 0.0000 172.5416 98 R 5.5807 7.8071 115.5733 56.2779 33.0389 174.5790 *102 E 3.9592 8.7873 121.7293 57.2390 29.1561 174.9491 103 Q 4.6239 8.1018 122.9592 54.6084 29.2433 176.1158 104 V 3.7330 7.9085 120.2979 67.0586 31.4039 177.7792 105 L 3.9867 7.9043 118.2853 57.9501 41.0751 179.3091 106 E 3.9645 8.1354 116.8730 59.5491 29.5218 179.0406 107 I 3.8095 7.5625 119.1904 63.9391 37.1581 178.1974 108 A 4.0284 8.1423 121.8580 55.1538 18.0248 179.8614 109 K 4.0357 8.2542 115.9919 58.9179 32.1412 178.6129 110 Q 4.2715 7.5401 117.5974 57.1170 29.3715 176.6141 111 K 4.4413 7.6812 116.9955 56.5604 32.9174 177.7583 112 M 4.1627 7.8471 119.3180 57.6183 33.5824 175.1151 113 P 4.4724 0.0000 0.0000 61.6584 30.7899 175.3155 *120 L 4.4105 7.6664 122.1718 55.2762 44.0313 177.1038 121 E 4.7214 7.8112 112.6797 55.5112 29.9612 175.7233 122 A 4.3864 7.7511 117.6853 53.7036 22.3039 178.3211 123 A 4.2240 7.8879 119.2588 53.4748 18.9200 178.9999 124 A 4.2522 7.8285 118.2356 53.1996 19.0356 179.2856 125 R 3.9931 7.6988 115.3023 58.7381 30.0613 178.1837 126 M 3.9664 7.7580 118.1447 58.6994 32.3554 178.0503 127 I 3.6870 7.8066 119.2376 64.4410 37.3116 178.1460 128 A 4.0987 7.8628 121.7062 55.2097 17.7274 180.0158 129 G 3.5865 8.1454 104.1513 47.7599 0.0000 176.2225 130 S 4.3041 8.7233 118.3668 60.7395 63.0924 176.1814 131 A 4.1391 8.1493 123.6126 55.1308 17.6336 179.8219 132 R 3.7249 8.5127 117.9808 57.8867 30.0164 178.0561 133 S 4.6293 7.6181 112.6741 58.7452 63.0826 175.0327 134 M 4.3277 8.0554 122.5745 55.7122 33.6720 175.5221 135 G 3.9794 7.9801 107.0614 42.7823 0.0000 172.4991 136 V 4.3842 8.9433 127.5226 61.1669 33.8491 174.9555 137 E 4.4328 9.2566 126.4462 56.0965 30.8189 175.7055 138 V 4.5641 8.2329 122.7694 61.4797 33.4557 175.5020 139 V 3.8116 8.6180 127.2127 65.1715 31.9616 176.6535 140 G 3.9321 7.7586 106.2524 44.7632 0.0000 173.2030 141 A 4.2167 8.1080 121.0337 52.2599 19.3689 176.1197 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 2 K 8.31 4.33 0.00 1.54 1.46 0.00 1.45 0.00 0.00 1.51 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 1.28 7.81 3 K 8.58 4.46 0.00 1.85 1.76 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.54 7.81 4 V 9.26 4.07 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 0.59 0.00 0.00 0.91 0.00 0.00 5 V 8.48 4.21 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 0.74 0.00 0.00 0.94 0.00 0.00 6 A 7.32 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.32 4.60 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 0.79 0.00 0.00 0.86 0.00 0.00 8 V 8.88 4.14 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 0.76 0.00 0.00 0.88 0.00 0.00 9 K 8.59 4.94 0.00 1.64 1.72 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 10 L 8.97 4.90 0.00 1.44 1.42 0.67 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.49 5.01 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 12 L 9.01 4.89 0.00 1.27 1.29 0.19 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.84 0.00 2.10 1.98 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 14 A 8.99 4.07 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 15 G 9.08 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 16 K 8.12 4.62 0.00 1.76 1.61 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.21 7.81 17 A 8.39 4.08 1.10 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 18 T 7.93 4.74 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 19 P 0.00 4.36 0.00 2.23 2.32 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 20 A 7.57 4.19 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 21 P 0.00 4.46 0.00 2.02 1.97 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 22 P 0.00 4.44 0.00 2.13 2.23 0.00 3.63 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 1.95 1.88 0.00 23 V 7.83 3.46 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 24 G 8.44 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 25 P 0.00 4.23 0.00 2.22 2.27 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.98 0.00 26 A 7.89 3.90 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 27 L 7.88 4.15 0.00 1.68 1.47 0.35 -0.12 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 28 G 8.02 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 29 Q 7.65 3.95 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.16 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 30 H 7.77 4.88 0.00 3.11 3.25 0.00 5.86 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.85 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 0.00 0.00 0.00 32 A 7.56 4.53 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 33 N 8.77 4.58 0.00 2.94 3.09 0.00 0.00 7.00 7.93 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 34 I 8.21 3.61 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.91 0.00 0.00 35 M 8.11 4.06 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 36 E 8.51 4.01 0.00 2.33 2.45 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 2.48 2.67 0.00 37 F 8.34 4.30 0.00 2.70 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 38 V 8.05 3.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 39 K 8.23 3.89 0.00 1.87 1.87 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 40 A 8.21 4.05 1.67 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 41 F 8.07 3.67 0.00 1.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.28 0.00 2.79 2.85 0.00 0.00 7.08 6.87 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 43 A 8.04 4.08 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 44 A 8.10 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.27 4.34 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 0.50 0.00 0.00 46 A 8.06 4.01 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 47 N 8.02 4.84 0.00 2.68 2.81 0.00 0.00 6.80 7.66 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 48 M 7.77 4.52 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 49 G 7.65 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 50 D 8.75 4.87 0.00 2.72 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 51 A 7.42 4.10 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 52 I 6.78 4.10 1.46 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.40 0.88 0.00 0.00 53 V 9.08 4.48 2.37 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 1.16 0.00 0.00 0.90 0.00 0.00 54 P 0.00 5.09 0.00 2.17 1.98 0.00 3.87 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 55 V 9.00 5.07 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.42 0.00 0.00 56 E 9.36 5.11 0.00 2.01 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 2.25 2.31 0.00 57 I 8.97 4.89 1.60 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 0.17 0.36 0.73 0.00 0.00 58 T 8.99 4.82 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 0.92 0.00 0.00 59 I 8.46 4.87 1.72 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 1.19 0.72 0.94 0.00 0.00 60 Y 9.08 5.31 0.00 2.91 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 61 A 8.96 4.13 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 62 D 8.24 4.75 0.00 2.82 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 63 R 8.29 4.31 0.00 2.09 2.59 0.00 3.17 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 S 8.21 4.73 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 65 F 8.12 5.67 0.00 3.19 3.09 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 0.00 0.00 0.00 66 T 9.22 5.05 4.27 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 1.26 0.00 0.00 67 F 8.35 5.68 0.00 3.39 3.38 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 68 V 8.88 4.60 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 1.03 0.00 0.00 0.94 0.00 0.00 69 T 8.80 5.18 4.34 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 1.50 0.00 0.00 70 K 8.73 4.86 0.00 1.66 1.80 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.54 7.81 71 T 8.35 4.23 4.27 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 1.23 0.00 0.00 72 P 0.00 4.47 0.00 2.23 2.07 0.00 3.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 73 P 0.00 4.30 0.00 2.26 2.05 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 74 A 8.83 4.06 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 75 S 8.12 4.13 0.00 4.09 4.17 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 76 Y 7.98 4.03 0.00 3.13 3.23 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 77 L 7.93 3.93 0.00 1.89 1.71 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.59 3.66 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.05 0.90 0.00 0.00 79 R 7.81 3.88 0.00 1.96 1.87 0.00 3.13 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 80 K 7.77 3.74 0.00 1.36 1.51 0.00 1.41 0.00 0.00 1.53 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.39 7.81 81 A 8.08 4.00 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 82 A 8.14 4.33 1.37 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 83 G 7.50 3.61 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 0.00 0.00 0.00 84 L 7.97 4.21 0.00 1.60 1.65 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.25 4.70 0.00 2.02 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 2.13 2.21 0.00 86 K 8.44 3.94 0.00 1.76 1.75 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.44 7.81 87 G 8.42 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 H 8.34 4.61 0.00 3.17 3.29 0.00 5.84 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 90 K 8.16 4.68 0.00 1.63 1.61 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.51 7.81 91 P 0.00 4.30 0.00 2.08 1.98 0.00 3.76 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 2.03 2.10 0.00 92 G 8.52 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 93 R 8.46 3.93 0.00 1.81 1.92 0.00 3.35 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 94 E 8.35 4.68 0.00 1.88 1.76 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 2.20 2.34 0.00 95 K 8.39 4.41 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.41 7.81 96 V 8.15 3.85 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 0.75 0.00 0.00 0.93 0.00 0.00 97 G 8.55 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 98 R 7.81 5.58 0.00 1.88 1.88 0.00 3.09 0.00 0.00 3.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 *102 E 8.79 3.96 0.00 2.08 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 2.19 2.31 0.00 103 Q 8.10 4.62 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.67 0.00 0.00 0.00 0.00 0.00 2.27 1.88 0.00 104 V 7.91 3.73 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 1.01 0.00 0.00 0.93 0.00 0.00 105 L 7.90 3.99 0.00 1.73 1.71 0.92 0.86 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 0.00 106 E 8.14 3.96 0.00 2.19 2.21 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 2.46 2.41 0.00 107 I 7.56 3.81 1.88 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 1.47 0.80 0.93 0.00 0.00 108 A 8.14 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.25 4.04 0.00 1.73 1.90 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 110 Q 7.54 4.27 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 111 K 7.68 4.44 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.59 7.81 112 M 7.85 4.16 0.00 2.04 2.27 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 2.62 2.55 0.00 113 P 0.00 4.47 0.00 2.23 2.09 0.00 4.01 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 *120 L 7.67 4.41 0.00 1.66 1.78 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.81 4.72 0.00 2.05 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 2.16 2.27 0.00 122 A 7.75 4.39 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 0.00 123 A 7.89 4.22 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 0.00 124 A 7.83 4.25 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 0.00 125 R 7.70 3.99 0.00 2.02 1.93 0.00 3.10 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 126 M 7.76 3.97 0.00 2.13 2.04 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 2.60 2.58 0.00 127 I 7.81 3.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.63 0.91 0.00 0.00 128 A 7.86 4.10 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 0.00 129 G 8.15 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.72 4.30 0.00 4.01 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 0.00 131 A 8.15 4.14 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 0.00 132 R 8.51 3.72 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 133 S 7.62 4.63 0.00 4.08 4.12 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 0.00 134 M 8.06 4.33 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 135 G 7.98 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.94 4.38 2.21 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 0.95 0.00 0.00 0.92 0.00 0.00 137 E 9.26 4.43 0.00 1.92 1.84 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 2.32 2.25 0.00 138 V 8.23 4.56 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 0.77 0.00 0.00 0.93 0.00 0.00 139 V 8.62 3.81 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 0.84 0.00 0.00 0.93 0.00 0.00 140 G 7.76 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.11 4.22 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 * Residues marked with a * may have inaccurate shift predictions.