NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.5317 8.3544 108.0076 45.9712 0.0000 172.8562 1 S 4.2457 7.9752 119.3718 55.2662 65.8565 171.2853 2 F 5.1955 9.6236 130.6321 57.2708 41.2723 174.2211 3 T 4.0597 7.9124 123.2444 60.7703 70.1420 172.2100 4 P 4.1210 0.0000 0.0000 62.8268 31.6662 177.3136 5 S 4.4833 8.4234 117.1499 56.7944 64.8181 175.2533 6 G 4.1909 7.8416 111.5668 44.5099 0.0000 169.6160 7 T 4.5474 7.9704 110.1111 61.0504 71.5036 173.5488 8 T 4.9963 8.4609 118.7489 61.9239 70.4016 174.2655 9 G 4.2113 9.0836 113.9896 44.6715 0.0000 172.1790 10 T 5.0255 8.4606 120.5486 61.9256 70.9472 173.7284 11 T 4.3550 9.0977 124.8153 62.5531 69.8894 174.0167 12 K 5.0928 8.6426 126.0415 54.4840 34.6535 175.4929 13 L 4.9206 9.1964 126.3693 53.6040 45.5722 174.9581 14 T 5.0142 8.8496 123.2042 62.1581 70.5323 173.7373 15 V 4.6199 9.0387 128.2277 62.1402 33.3435 174.9850 16 T 4.8752 8.7724 117.3354 59.9949 72.7510 172.6743 17 E 4.4343 8.4334 121.0094 54.8815 31.4921 176.3117 18 K 3.8883 8.7097 119.9309 60.0302 32.0652 176.7384 19 C 4.2324 7.9508 119.8642 58.9453 31.3447 172.0789 20 Q 4.4010 8.5894 128.2827 54.1242 30.6788 174.5519 21 V 4.2035 8.2929 125.3298 60.9952 32.1796 174.7251 22 R 4.2374 8.3675 126.9081 55.4644 30.8196 176.5130 23 V 4.2427 8.2156 121.7029 62.1043 34.2096 176.2048 24 G 3.8096 8.7410 115.7599 44.3911 0.0000 172.3830 25 D 4.5043 8.2915 117.8740 52.5087 40.1314 175.7057 26 L 3.9570 8.2888 122.2839 56.1482 42.3356 176.2595 27 T 4.6047 7.8996 113.6542 60.1389 71.9287 172.8135 28 V 4.0177 8.2213 121.6225 62.4916 32.4682 174.4852 29 A 5.2281 8.5110 128.5011 50.2680 22.3915 175.0445 30 K 4.8874 9.0161 119.3869 54.5994 36.9025 176.7403 31 T 4.6154 9.2417 113.5844 60.5657 69.7369 175.8545 32 R 4.0341 8.6924 120.1005 59.3266 29.1212 179.2225 33 G 3.6466 7.4374 105.7278 47.0392 0.0000 174.8420 34 Q 4.2492 7.7267 118.4070 56.5991 30.1842 176.1004 35 L 4.3829 7.8443 123.5266 53.9450 41.2122 176.2423 36 T 4.5030 7.2740 110.0163 60.3134 70.6169 174.0309 37 D 4.4191 8.3796 121.5715 55.7953 41.4633 176.4922 38 A 3.8161 9.0245 127.8955 51.9760 17.7463 177.8350 39 A 4.3257 7.7843 119.3478 51.2686 19.4710 175.6275 40 P 4.4556 0.0000 0.0000 63.2535 31.8253 175.8293 41 I 4.1120 8.6409 124.0284 61.5098 38.7095 176.1025 42 G 4.0436 7.0301 108.3713 45.6572 0.0000 169.7364 43 P 5.2824 0.0000 0.0000 61.0674 34.1301 175.0409 44 V 4.4339 8.5288 120.7491 61.1290 34.1043 174.8028 45 T 4.5784 8.5924 118.7929 61.7036 69.8891 174.1737 46 V 4.5899 8.6580 123.4275 61.3693 35.6460 174.0157 47 Q 4.6171 8.6515 127.5585 54.7385 31.9095 173.1566 48 A 4.8693 8.8455 128.9947 51.0206 20.3903 176.4744 49 L 4.6164 8.0552 119.3343 54.2064 45.5416 176.9419 50 G 3.9225 9.0222 109.8073 46.5848 0.0000 173.4068 51 C 4.7142 7.9281 115.9688 59.1082 28.6506 176.0354 52 D 4.2721 8.3533 122.1370 56.8601 40.4589 177.3706 53 A 4.6147 7.8376 118.9317 51.6209 19.5782 175.7675 54 R 4.6817 7.8406 116.3748 55.1451 34.9611 174.6155 55 Q 4.5926 8.4441 119.8229 54.5106 30.2361 175.6670 56 V 4.2033 8.2954 124.6516 63.3251 33.0791 174.5101 57 A 5.5621 9.2638 127.0271 50.9612 23.5105 174.7937 58 L 5.4239 9.5610 118.8208 52.9107 45.8796 175.7140 59 K 4.6570 9.1262 124.6058 54.3363 34.3261 175.2927 60 A 4.8337 8.6601 129.5964 51.3901 19.7171 176.9158 61 D 4.5529 8.7112 119.6289 54.5807 41.7028 177.9738 62 T 3.6637 8.8111 117.5275 66.9940 68.5190 174.7200 63 D 4.8189 7.8807 118.6251 54.6153 41.0040 176.2811 64 N 4.5225 8.3970 113.6672 51.0380 40.1823 173.8635 65 F 5.0206 6.9378 112.0153 55.5200 40.7429 173.1713 66 E 4.3629 9.2989 121.0825 57.7326 31.0397 176.6659 *69 K 4.0988 7.6811 118.9197 55.6492 33.3656 174.9399 70 F 5.2538 8.5954 122.3465 56.9624 41.0627 174.6462 71 F 5.3049 8.5756 115.0487 55.8231 41.4305 173.3956 72 L 4.6660 8.8978 121.1046 54.5694 43.2572 175.5130 73 I 5.0222 8.4759 122.4711 59.0125 40.5315 175.0984 74 S 3.7920 8.6274 124.0475 58.0417 62.4770 173.9417 75 D 4.4062 8.5049 124.6907 57.0677 40.7816 177.6288 76 N 4.4483 7.7490 114.8671 52.8337 38.4327 174.5046 77 N 4.9786 8.3410 117.7192 53.5500 38.6267 173.3559 78 R 4.3942 7.9785 118.5492 57.9655 32.8225 175.0324 79 D 4.6295 8.0713 117.4801 54.4879 41.9750 175.0529 80 K 5.0011 8.5951 121.0504 54.4450 36.0706 175.6738 81 L 4.6265 8.5969 125.7876 53.2251 44.0589 174.9982 82 Y 4.7268 9.1245 125.4659 58.2765 38.9601 175.8130 83 V 5.1262 8.9787 115.7140 60.1021 36.5043 174.1374 84 N 5.2690 9.3041 119.6601 51.4758 41.5060 173.8330 85 I 4.7856 7.9194 115.5772 59.1145 40.0643 174.8409 86 R 4.7150 8.6402 124.9305 54.0799 34.1496 172.2709 87 P 4.9876 0.0000 0.0000 62.8567 32.1436 177.6339 88 T 4.0275 8.9429 113.4380 64.6770 68.8714 175.0399 89 D 4.5958 8.3796 118.9204 53.3198 39.7875 175.8228 90 N 4.3062 8.2302 115.8494 54.3039 36.6351 174.6031 91 S 4.3171 8.6818 112.3872 58.2058 63.8057 173.1702 92 A 4.5179 8.3022 123.1901 51.1175 19.6119 176.5428 93 W 4.9079 8.6618 121.3059 55.1054 33.4298 174.7361 94 T 4.4621 7.7884 116.7984 62.0088 72.2783 173.1613 95 T 4.9886 8.3107 120.4234 62.0424 70.7222 173.8900 96 D 4.4418 9.2799 125.9891 52.6353 42.8242 174.1917 97 N 4.1777 9.8210 126.9858 54.0507 37.0994 174.2671 98 G 2.3352 7.3539 107.6281 44.0498 0.0000 171.2206 99 V 4.6221 7.3056 120.3506 61.1036 33.8667 174.3004 100 F 5.4340 9.4537 130.7465 56.8210 41.2981 173.2747 101 Y 5.3189 8.1001 124.8657 54.7498 40.9954 174.7417 102 K 2.8556 8.1886 123.1890 55.3106 32.6821 177.8038 103 N 4.1071 8.4062 125.1751 55.3970 38.7499 174.7553 104 D 4.9214 6.8841 116.1416 51.9471 44.5807 175.9386 105 V 3.8939 7.9639 114.4225 61.1839 32.3368 174.8588 106 G 4.1597 7.4306 107.4521 43.9029 0.0000 174.7992 107 S 4.5395 8.0192 120.0245 56.6459 61.6331 174.1500 108 W 4.3633 8.1133 132.7488 57.2741 31.7413 174.8295 109 G 4.1452 7.1624 111.9784 41.9621 0.0000 173.0321 110 G 3.1260 6.7375 107.9268 45.2240 0.0000 170.7991 111 I 4.9573 7.6620 119.5253 59.5961 40.7731 174.8883 112 I 4.3992 9.0944 129.1955 59.9384 38.1957 175.4785 113 G 3.9754 9.0882 116.0025 45.7485 0.0000 171.6075 114 I 4.8028 7.9014 123.9038 59.4107 39.4997 174.3483 115 Y 5.1305 8.7106 124.6834 55.5406 41.8279 175.4779 116 V 3.8264 8.9554 123.5618 63.6191 32.8412 174.4411 117 D 4.8595 9.1220 128.3210 53.4114 41.4120 175.0033 118 G 4.0052 10.3263 113.6131 45.1065 0.0000 171.2727 119 Q 4.0387 8.4241 123.3963 56.7308 30.1483 176.9823 120 Q 4.6311 9.0364 125.4846 55.2753 29.7749 176.0450 121 T 4.4556 7.9131 106.1656 62.7193 69.7350 174.9198 122 N 4.7348 7.8501 118.8234 52.8231 37.7233 174.9348 123 T 3.8691 7.5169 116.2230 63.4611 68.6908 172.4993 124 P 4.4262 0.0000 0.0000 61.8358 32.0519 174.5365 125 P 4.5611 0.0000 0.0000 62.4806 32.2575 176.4026 126 G 3.9750 7.6509 108.0068 46.7318 0.0000 169.9775 127 N 5.6160 7.8799 116.7284 51.6822 41.1253 173.8560 128 Y 5.2592 9.4957 121.7292 56.3487 41.6622 174.9239 129 T 5.2674 9.0212 112.0320 59.9295 73.1045 172.4081 130 L 5.0767 9.0600 125.1571 53.7764 45.3700 174.9588 131 T 5.0437 9.2004 123.5818 61.9019 70.7827 173.5287 132 L 5.2640 8.8884 126.3506 53.1768 45.4009 175.5194 133 T 5.0042 8.9805 120.6889 61.6699 71.0894 174.4504 134 G 4.1372 9.2555 113.7597 46.2186 0.0000 174.0179 135 G 4.0710 8.0623 107.7450 45.5489 0.0000 171.4344 136 Y 5.4929 6.8784 117.2476 55.1613 41.8862 174.2022 137 W 5.2753 9.1607 130.3454 55.8986 32.7979 174.8932 138 A 4.4531 7.1849 126.0456 49.9460 22.6444 176.3704 139 K 3.8467 8.3322 120.4529 56.5914 32.3662 176.7432 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 0 G 8.35 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 1 S 7.98 4.25 0.00 3.54 3.31 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 2 F 9.62 5.20 0.00 3.30 2.98 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 3 T 7.91 4.06 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 0.72 0.00 0.00 4 P 0.00 4.12 0.00 1.94 2.17 0.00 3.53 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 2.06 2.29 0.00 5 S 8.42 4.48 0.00 3.78 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 6 G 7.84 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 7 T 7.97 4.55 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 1.25 0.00 0.00 8 T 8.46 5.00 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 1.30 0.00 0.00 9 G 9.08 4.21 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 0.00 10 T 8.46 5.03 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 1.21 0.00 0.00 11 T 9.10 4.35 4.30 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 1.16 0.00 0.00 12 K 8.64 5.09 0.00 1.60 1.72 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.47 7.81 13 L 9.20 4.92 0.00 1.66 1.50 0.95 0.56 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 14 T 8.85 5.01 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 1.29 0.00 0.00 15 V 9.04 4.62 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 0.99 0.00 0.00 0.60 0.00 0.00 16 T 8.77 4.88 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 17 E 8.43 4.43 0.00 1.98 1.96 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 2.29 2.24 0.00 18 K 8.71 3.89 0.00 1.71 1.85 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 19 C 7.95 4.23 0.00 2.97 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 20 Q 8.59 4.40 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 21 V 8.29 4.20 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 0.90 0.00 0.00 0.93 0.00 0.00 22 R 8.37 4.24 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 23 V 8.22 4.24 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 0.82 0.00 0.00 0.98 0.00 0.00 24 G 8.74 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 25 D 8.29 4.50 0.00 2.79 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 26 L 8.29 3.96 0.00 1.60 1.63 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.90 4.60 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 1.28 0.00 0.00 28 V 8.22 4.02 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 1.03 0.00 0.00 0.90 0.00 0.00 29 A 8.51 5.23 1.20 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 0.00 0.00 30 K 9.02 4.89 0.00 1.61 1.60 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.39 7.81 31 T 9.24 4.62 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 1.26 0.00 0.00 32 R 8.69 4.03 0.00 2.26 2.33 0.00 2.89 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 33 G 7.44 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 34 Q 7.73 4.25 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.46 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 35 L 7.84 4.38 0.00 1.72 1.59 0.86 0.37 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 36 T 7.27 4.50 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 37 D 8.38 4.42 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.02 3.82 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 39 A 7.78 4.33 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 40 P 0.00 4.46 0.00 2.00 2.07 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 41 I 8.64 4.11 1.86 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 1.08 0.54 0.82 0.00 0.00 42 G 7.03 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 43 P 0.00 5.28 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 44 V 8.53 4.43 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.84 0.00 0.00 45 T 8.59 4.58 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 46 V 8.66 4.59 2.43 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 1.44 0.00 0.00 1.13 0.00 0.00 47 Q 8.65 4.62 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 48 A 8.85 4.87 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 49 L 8.06 4.62 0.00 1.61 1.53 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.02 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 51 C 7.93 4.71 0.00 3.01 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 52 D 8.35 4.27 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.84 4.61 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 54 R 7.84 4.68 0.00 1.49 1.52 0.00 2.61 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.00 55 Q 8.44 4.59 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 56 V 8.30 4.20 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 1.34 0.00 0.00 1.15 0.00 0.00 57 A 9.26 5.56 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.56 5.42 0.00 1.66 1.58 1.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.13 4.66 0.00 0.79 1.05 0.00 1.19 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 0.95 7.81 60 A 8.66 4.83 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 61 D 8.71 4.55 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.81 3.66 4.21 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 1.07 0.00 0.00 63 D 7.88 4.82 0.00 2.66 2.72 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 0.00 0.00 0.00 0.00 64 N 8.40 4.52 0.00 2.89 2.66 0.00 0.00 6.53 7.73 0.00 0.00 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 6.94 5.02 0.00 2.69 2.67 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 66 E 9.30 4.36 0.00 2.22 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 0.00 2.45 2.36 0.00 *69 K 7.68 4.10 0.00 2.04 2.19 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.49 7.81 70 F 8.60 5.25 0.00 3.21 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.58 5.30 0.00 2.76 2.59 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 72 L 8.90 4.67 0.00 1.77 1.80 0.91 0.58 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 73 I 8.48 5.02 2.25 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.59 0.95 0.00 0.00 74 S 8.63 3.79 0.00 3.15 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.50 4.41 0.00 2.55 2.64 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 76 N 7.75 4.45 0.00 2.77 2.72 0.00 0.00 5.81 8.04 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 77 N 8.34 4.98 0.00 2.63 2.76 0.00 0.00 6.73 7.65 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 78 R 7.98 4.39 0.00 1.76 1.90 0.00 3.31 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 79 D 8.07 4.63 0.00 2.67 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 80 K 8.60 5.00 0.00 1.10 0.74 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.84 1.34 7.81 81 L 8.60 4.63 0.00 1.34 1.39 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 9.12 4.73 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.98 5.13 2.18 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 0.76 0.00 0.00 0.95 0.00 0.00 84 N 9.30 5.27 0.00 2.66 2.70 0.00 0.00 6.93 7.04 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 85 I 7.92 4.79 1.23 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.36 0.40 0.00 0.00 86 R 8.64 4.71 0.00 1.83 1.77 0.00 3.04 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 87 P 0.00 4.99 0.00 2.58 1.69 0.00 3.71 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.63 0.00 88 T 8.94 4.03 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 1.30 0.00 0.00 89 D 8.38 4.60 0.00 2.99 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 90 N 8.23 4.31 0.00 2.99 2.99 0.00 0.00 6.94 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 91 S 8.68 4.32 0.00 3.95 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 92 A 8.30 4.52 1.20 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 0.00 0.00 93 W 8.66 4.91 0.00 2.22 1.79 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 94 T 7.79 4.46 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 0.93 0.00 0.00 95 T 8.31 4.99 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 1.17 0.00 0.00 96 D 9.28 4.44 0.00 2.55 2.44 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 97 N 9.82 4.18 0.00 2.85 2.81 0.00 0.00 7.45 7.98 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 98 G 7.35 2.34 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 0.00 99 V 7.31 4.62 2.34 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 1.29 0.00 0.00 0.92 0.00 0.00 100 F 9.45 5.43 0.00 3.03 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 0.00 101 Y 8.10 5.32 0.00 2.87 2.94 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 0.00 102 K 8.19 2.86 0.00 0.79 0.88 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.31 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.67 0.21 7.81 103 N 8.41 4.11 0.00 2.65 2.77 0.00 0.00 6.80 8.82 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 0.00 104 D 6.88 4.92 0.00 2.31 2.46 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 0.00 105 V 7.96 3.89 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 0.65 0.00 0.00 0.97 0.00 0.00 106 G 7.43 4.16 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 0.00 107 S 8.02 4.54 0.00 3.91 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.11 4.36 0.00 3.34 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.16 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 0.00 0.00 0.00 0.00 110 G 6.74 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.66 4.96 1.91 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 1.30 0.95 0.91 0.00 0.00 112 I 9.09 4.40 1.81 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.60 0.00 0.00 113 G 9.09 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 0.00 114 I 7.90 4.80 1.72 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.78 0.00 0.00 115 Y 8.71 5.13 0.00 2.81 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 0.00 116 V 8.96 3.83 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 117 D 9.12 4.86 0.00 2.79 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 0.00 118 G 10.33 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 0.00 119 Q 8.42 4.04 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.42 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 120 Q 9.04 4.63 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 121 T 7.91 4.46 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 1.31 0.00 0.00 122 N 7.85 4.73 0.00 2.85 2.95 0.00 0.00 6.13 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 0.00 123 T 7.52 3.87 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 0.89 0.00 0.00 124 P 0.00 4.43 0.00 2.24 2.03 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.15 0.00 125 P 0.00 4.56 0.00 1.97 2.09 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 126 G 7.65 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 0.00 127 N 7.88 5.62 0.00 2.71 2.71 0.00 0.00 6.63 7.48 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 0.00 128 Y 9.50 5.26 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 9.02 5.27 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 1.22 0.00 0.00 130 L 9.06 5.08 0.00 1.69 1.47 0.91 0.52 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 0.00 131 T 9.20 5.04 4.44 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 1.31 0.00 0.00 132 L 8.89 5.26 0.00 1.53 1.51 0.75 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.98 5.00 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 1.40 0.00 0.00 134 G 9.26 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 0.00 0.00 0.00 135 G 8.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 6.88 5.49 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.16 5.28 0.00 3.47 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 0.00 138 A 7.18 4.45 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 0.00 139 K 8.33 3.85 0.00 1.74 1.68 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.66 7.81 * Residues marked with a * may have inaccurate shift predictions.