NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 4.0025 8.2127 109.7478 45.2763 0.0000 174.3806 6 M 4.0529 8.4026 117.5804 57.3764 31.9354 176.2424 7 R 3.8835 8.4369 120.7461 59.5020 30.7216 177.7635 8 A 4.1030 8.0065 119.9948 54.7286 18.4840 179.2048 9 L 3.9151 7.6418 118.7432 58.5053 42.1094 178.9650 10 E 3.9675 8.7270 118.7749 59.7558 29.4049 179.5854 11 Q 4.0316 8.2429 117.9568 58.6937 28.6660 178.5945 12 F 4.0898 8.3851 121.6475 61.1343 39.6152 176.8912 13 A 3.8870 8.0088 120.3012 55.2743 17.8827 179.1969 14 N 4.2116 7.7670 114.7119 56.6462 38.7253 177.1879 15 E 4.0060 8.2696 119.5322 58.0883 29.7791 178.4474 16 F 3.9398 7.9572 121.2228 61.2899 39.5194 176.9485 17 K 4.0146 7.9679 119.0305 59.5549 32.0210 179.0035 18 V 3.5784 7.4583 118.4143 66.0333 31.1581 178.1352 19 R 4.0199 7.7608 116.9845 58.3543 29.8675 178.8588 20 R 3.8004 7.5497 118.7387 59.3349 29.9143 178.3742 21 I 3.7188 7.3119 117.9944 64.5008 37.3509 178.5747 22 K 4.1313 7.9073 116.9936 58.5098 31.8372 178.8147 23 L 4.3748 7.5967 117.8103 57.4144 42.0670 176.4684 24 G 3.4433 7.2412 105.6533 45.2490 0.0000 172.9540 25 Y 4.7106 7.9572 117.8404 56.6428 40.0567 175.3524 26 T 4.7032 8.0801 112.1250 59.9300 72.7476 175.3437 27 Q 4.1224 8.5493 119.4639 59.3661 28.4262 179.4116 28 T 3.9568 8.0799 116.9693 66.7350 68.4324 176.6150 29 N 4.8912 8.0753 119.3203 55.5863 38.6140 177.4318 30 V 3.1918 8.0587 119.9822 65.9676 31.3541 178.3474 31 G 3.8332 7.6581 106.5286 47.0573 0.0000 175.5433 32 E 4.0363 7.8727 120.4758 59.2862 29.5842 179.0168 33 A 4.1613 8.2079 120.9956 54.9631 17.4737 178.7152 34 L 3.9665 7.7392 115.7510 55.9790 41.7630 177.7483 35 A 4.8965 8.2041 121.7141 53.1633 20.1169 179.0741 36 A 3.9578 7.7378 119.6480 54.4538 18.6093 178.3341 37 V 4.3209 7.7941 112.6189 62.9331 33.4475 175.2467 38 H 4.6757 7.9855 117.1047 55.5143 30.5731 173.9467 39 G 4.2313 7.9955 115.6741 45.5416 0.0000 173.8970 40 S 4.3578 7.3461 114.3821 56.7203 64.4348 172.6261 41 E 4.7703 8.0857 123.2549 53.8666 30.8739 175.3102 42 F 4.6865 8.5322 125.6934 56.6444 40.6802 175.6654 43 S 4.4853 8.6958 117.1493 57.9424 64.5394 174.9513 44 Q 3.9970 8.7737 119.9755 59.5732 28.6531 177.7588 45 T 3.9154 8.0150 116.3287 67.1294 68.4069 176.4333 46 T 3.8755 7.6971 116.9005 66.7856 68.4777 176.8912 47 I 3.7172 7.4972 121.2230 64.3276 37.0478 178.2059 48 C 4.1380 8.2890 119.5871 62.5787 31.4899 175.5882 49 R 3.9375 8.2977 120.1017 59.5900 29.5844 178.3531 50 F 4.1315 8.4910 120.2888 61.4804 39.1167 176.6489 51 E 3.6769 8.0781 117.5479 59.5276 29.5534 178.5974 52 N 4.5820 8.1125 112.9106 52.1781 39.1807 174.8213 53 L 3.6048 8.0682 119.9972 55.9373 40.1361 174.5642 54 Q 4.5329 8.2231 113.2260 55.9517 28.9529 175.4734 55 L 4.9252 7.3733 115.7859 51.9012 46.3589 177.4456 56 S 4.4263 8.2946 114.7143 58.1094 65.0057 174.7527 57 F 4.1329 8.9573 125.2810 61.5854 39.0057 177.6137 58 K 3.6967 7.9956 118.5170 59.3654 32.1759 178.0024 59 N 4.1832 8.1056 117.1051 56.8642 38.8661 176.5696 60 A 4.1692 8.1690 122.0272 55.4099 18.3031 179.3866 61 C 3.9521 7.5104 115.2343 62.2878 27.6647 175.9910 62 K 3.7448 7.9216 121.2632 59.6437 31.7615 178.7674 63 L 3.5792 7.7391 119.0760 57.4669 41.3741 179.4922 64 K 3.4394 7.5656 118.8306 59.2303 32.0515 178.6004 65 A 3.8686 7.5300 120.6222 55.1171 18.1053 179.7382 66 I 3.6028 7.1745 117.2093 64.6883 37.2686 178.8308 67 L 4.1299 7.9105 120.0748 57.4678 40.9980 179.5359 68 S 4.3167 8.3949 114.0533 61.3011 62.1297 176.3579 69 K 3.9099 7.3858 119.4479 59.7223 32.5876 178.4680 70 W 4.2914 8.0653 129.9258 60.1179 30.5449 177.4495 71 L 3.2899 8.2388 120.2194 58.2346 41.2449 178.5924 72 E 4.1024 7.6576 116.5284 57.8835 29.6105 177.7594 73 E 4.3536 7.8024 116.5084 56.3360 29.8758 176.4781 74 A 4.1377 6.8521 122.6279 52.5610 18.4337 178.1234 75 E 4.4522 7.3885 120.9255 56.4309 28.4342 174.9501 76 Q 4.3497 8.0737 118.6557 56.9694 33.1196 176.8099 *103 K 4.2098 8.1870 112.6770 55.2410 33.2165 177.2544 104 R 3.7201 9.2534 119.7644 56.3378 25.9732 175.6096 105 R 3.9447 7.6071 117.4662 57.0928 31.0679 175.2009 106 T 4.5823 8.3212 119.7265 61.8026 70.7824 173.7615 107 T 4.3319 8.4279 116.5407 60.4080 69.9834 174.0152 108 I 4.2011 8.1597 127.7243 59.4164 38.3480 176.4535 109 S 4.3356 8.3436 120.6723 58.2375 64.7783 175.2487 110 I 3.7553 8.2451 122.5741 64.2036 36.7507 178.5995 111 A 3.9759 7.8689 121.1567 54.7209 18.4477 179.1502 112 A 3.7906 7.7263 119.0166 55.3430 18.5826 179.8792 113 K 3.5033 8.2902 118.2967 59.2941 31.9175 178.9098 114 D 4.2543 7.4688 118.4881 57.1631 41.0539 178.0903 115 A 4.1424 7.9379 121.1173 55.2134 18.3598 179.2082 116 L 3.5062 7.6697 117.7396 58.1179 41.5048 179.2969 117 E 4.4657 7.8945 116.6689 57.5541 29.4936 178.4668 118 R 4.0325 8.1874 119.1383 60.4967 30.2437 177.6552 119 H 4.3809 8.4828 115.5576 58.9337 28.5272 177.0108 120 F 4.6805 8.6741 121.5231 61.8063 39.3496 177.4323 121 G 3.7985 8.0403 102.9100 47.0265 0.0000 174.9362 122 E 4.5246 7.6710 120.3197 57.7707 29.9912 176.2998 123 H 4.5955 8.2334 119.8229 54.8218 31.5415 172.7638 124 S 3.4841 8.6922 125.4327 60.6661 62.3393 174.4703 125 K 4.2214 7.0848 120.3265 51.2859 32.6509 176.9327 126 P 4.2747 0.0000 0.0000 61.3619 32.0953 177.5660 127 S 4.4298 8.4333 116.4576 57.8537 64.9522 175.2332 128 S 4.1315 8.4697 115.3944 60.5817 62.0331 175.7115 129 Q 3.9932 8.0058 122.5534 59.1425 28.9199 177.2244 130 E 3.9659 8.1194 119.0423 59.7628 29.5421 179.2968 131 I 3.7637 7.9186 119.6796 64.7489 37.0216 178.2291 132 M 4.1275 7.8564 118.2192 58.0752 31.9408 178.4067 133 R 3.9067 7.9330 119.1940 59.6977 30.5751 178.2863 134 M 4.1179 8.4054 118.4355 58.1020 31.8367 178.8287 135 A 3.9759 7.8536 120.7727 55.2589 18.7645 179.5535 136 E 3.9437 7.9422 117.2250 59.4947 29.2693 179.2546 137 E 4.0674 8.5245 119.0517 58.3304 29.8138 177.8140 138 L 4.4182 7.5826 115.5349 53.0501 43.1016 175.3954 139 N 4.1254 7.8059 114.9963 55.0655 37.5097 172.9315 140 L 4.8437 7.6969 115.3726 52.5031 45.4469 176.6042 141 E 4.2982 8.3241 119.1637 55.5841 30.4702 177.9230 142 K 3.7933 8.8461 122.9390 60.1118 31.9533 178.6376 143 E 3.9684 8.1723 118.8568 59.0127 29.5785 178.8254 144 V 3.6611 8.0844 119.0124 65.8061 31.5818 178.2903 145 V 3.6654 7.7656 117.6434 65.8514 31.5512 177.4819 146 R 4.0258 8.3080 118.7202 59.9592 29.9525 178.7255 147 V 3.7036 8.1269 117.6494 65.5236 31.3323 177.8143 148 W 3.8813 8.3458 128.5329 60.1903 30.5130 178.0871 149 F 4.0206 8.5115 117.8326 60.6688 38.3747 177.2690 150 C 4.1471 8.1435 116.2717 63.1872 27.9533 175.9988 151 N 4.1925 8.0612 117.7486 56.2646 37.8141 177.4673 152 R 3.3438 6.8923 119.0038 59.1355 30.2351 178.5504 153 R 4.2366 8.0317 117.8546 59.3474 30.2325 178.7215 154 Q 3.9484 8.3611 119.7189 59.3954 28.9026 178.4839 155 R 3.9376 8.2897 119.6232 59.1466 29.8777 178.0827 156 E 4.3662 8.0202 116.8537 58.0633 29.7920 177.9084 157 K 4.4426 7.5764 120.6745 54.5692 32.0024 181.9138 158 R 4.5897 7.3009 118.4020 55.8766 31.3745 177.3758 159 V 3.8097 8.3213 114.2471 63.9017 31.9486 176.6886 160 K 4.1790 7.6822 122.4277 56.5771 33.0178 175.8725 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 5 G 8.21 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 6 M 8.40 4.05 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.77 0.00 7 R 8.44 3.88 0.00 1.93 1.94 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 8 A 8.01 4.10 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 9 L 7.64 3.92 0.00 1.88 2.01 0.97 1.01 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 10 E 8.73 3.97 0.00 2.16 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 2.34 2.57 0.00 11 Q 8.24 4.03 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 12 F 8.39 4.09 0.00 3.30 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 13 A 8.01 3.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.77 4.21 0.00 2.86 2.86 0.00 0.00 6.69 7.84 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 15 E 8.27 4.01 0.00 2.05 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 2.29 2.29 0.00 16 F 7.96 3.94 0.00 2.55 3.07 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 17 K 7.97 4.01 0.00 1.95 1.96 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 18 V 7.46 3.58 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 0.95 0.00 0.00 0.90 0.00 0.00 19 R 7.76 4.02 0.00 1.82 1.85 0.00 3.15 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 20 R 7.55 3.80 0.00 1.84 1.96 0.00 3.13 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.43 0.00 21 I 7.31 3.72 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.91 0.00 0.00 22 K 7.91 4.13 0.00 1.83 1.86 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 23 L 7.60 4.37 0.00 2.07 1.94 0.88 0.99 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 24 G 7.24 3.44 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 0.00 25 Y 7.96 4.71 0.00 3.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.08 4.70 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 1.28 0.00 0.00 27 Q 8.55 4.12 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.21 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 28 T 8.08 3.96 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 1.27 0.00 0.00 29 N 8.08 4.89 0.00 3.19 3.14 0.00 0.00 7.27 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 30 V 8.06 3.19 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 0.58 0.00 0.00 1.03 0.00 0.00 31 G 7.66 3.83 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 0.00 0.00 0.00 32 E 7.87 4.04 0.00 2.18 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 2.53 2.44 0.00 33 A 8.21 4.16 1.62 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 34 L 7.74 3.97 0.00 1.61 1.63 0.40 0.86 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 35 A 8.20 4.90 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 36 A 7.74 3.96 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 37 V 7.79 4.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.10 0.00 0.00 38 H 7.99 4.68 0.00 3.29 3.48 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.00 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 0.00 0.00 0.00 0.00 40 S 7.35 4.36 0.00 3.55 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.09 4.77 0.00 1.89 1.75 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 2.17 2.25 0.00 42 F 8.53 4.69 0.00 2.96 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 43 S 8.70 4.49 0.00 3.94 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 44 Q 8.77 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.23 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 45 T 8.02 3.92 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 1.23 0.00 0.00 46 T 7.70 3.88 4.45 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 0.85 0.00 0.00 47 I 7.50 3.72 2.06 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 1.08 0.00 0.00 48 C 8.29 4.14 0.00 3.34 3.21 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 49 R 8.30 3.94 0.00 2.08 2.00 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 50 F 8.49 4.13 0.00 2.95 3.15 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 51 E 8.08 3.68 0.00 2.16 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 0.00 2.67 2.82 0.00 52 N 8.11 4.58 0.00 2.79 2.83 0.00 0.00 7.19 7.60 0.00 0.00 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 L 8.07 3.60 0.00 1.66 1.68 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.22 4.53 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 55 L 7.37 4.93 0.00 1.60 1.54 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.29 4.43 0.00 4.10 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 57 F 8.96 4.13 0.00 3.14 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 58 K 8.00 3.70 0.00 1.89 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.45 7.81 59 N 8.11 4.18 0.00 2.80 2.89 0.00 0.00 7.15 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 60 A 8.17 4.17 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 61 C 7.51 3.95 0.00 2.73 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 62 K 7.92 3.74 0.00 1.74 1.89 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.43 7.81 63 L 7.74 3.58 0.00 1.04 0.83 0.68 0.18 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 64 K 7.57 3.44 0.00 1.93 1.77 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.59 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.87 0.53 7.81 65 A 7.53 3.87 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 66 I 7.17 3.60 1.75 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 1.43 0.74 0.75 0.00 0.00 67 L 7.91 4.13 0.00 1.24 1.17 -0.08 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.39 4.32 0.00 3.51 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 69 K 7.39 3.91 0.00 2.11 1.96 0.00 1.73 0.00 0.00 1.96 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.65 7.81 70 W 8.07 4.29 0.00 3.39 3.34 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 71 L 8.24 3.29 0.00 2.29 1.85 0.60 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.66 4.10 0.00 2.04 1.97 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 2.35 2.35 0.00 73 E 7.80 4.35 0.00 2.18 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 0.00 2.26 2.22 0.00 74 A 6.85 4.14 0.54 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 75 E 7.39 4.45 0.00 1.91 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 2.40 2.35 0.00 76 Q 8.07 4.35 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 *103 K 8.19 4.21 0.00 1.78 1.33 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 104 R 9.25 3.72 0.00 1.98 2.11 0.00 3.24 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 105 R 7.61 3.94 0.00 1.78 1.88 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 106 T 8.32 4.58 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 1.21 0.00 0.00 107 T 8.43 4.33 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 0.00 108 I 8.16 4.20 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.73 0.00 0.00 109 S 8.34 4.34 0.00 4.01 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 0.00 110 I 8.25 3.76 1.85 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 1.56 1.16 0.90 0.00 0.00 111 A 7.87 3.98 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 0.00 112 A 7.73 3.79 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 0.00 113 K 8.29 3.50 0.00 1.72 1.98 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.55 7.81 114 D 7.47 4.25 0.00 2.80 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 0.00 115 A 7.94 4.14 1.24 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 0.00 0.00 0.00 116 L 7.67 3.51 0.00 0.71 0.13 -0.77 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.89 4.47 0.00 2.19 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 0.00 2.52 2.60 0.00 118 R 8.19 4.03 0.00 1.97 2.14 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 1.67 1.70 0.00 119 H 8.48 4.38 0.00 3.62 3.59 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.67 4.68 0.00 3.43 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.04 3.80 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 0.00 0.00 0.00 122 E 7.67 4.52 0.00 2.08 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 0.00 2.33 2.57 0.00 123 H 8.23 4.60 0.00 2.96 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.69 3.48 0.00 3.29 3.63 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 0.00 125 K 7.08 4.22 0.00 1.76 1.56 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 0.98 7.81 126 P 0.00 4.27 0.00 1.62 1.78 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.62 0.00 127 S 8.43 4.43 0.00 4.04 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 0.00 128 S 8.47 4.13 0.00 3.91 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 0.00 129 Q 8.01 3.99 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 130 E 8.12 3.97 0.00 2.23 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 2.44 2.43 0.00 131 I 7.92 3.76 1.90 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 1.52 1.15 0.99 0.00 0.00 132 M 7.86 4.13 0.00 2.36 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 133 R 7.93 3.91 0.00 2.21 1.91 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 134 M 8.41 4.12 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 135 A 7.85 3.98 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 0.00 136 E 7.94 3.94 0.00 2.10 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 2.33 2.46 0.00 137 E 8.52 4.07 0.00 1.93 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 2.30 2.34 0.00 138 L 7.58 4.42 0.00 1.67 1.59 0.76 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.81 4.13 0.00 2.86 2.84 0.00 0.00 6.91 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 0.00 140 L 7.70 4.84 0.00 1.63 1.52 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.32 4.30 0.00 2.01 1.87 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 2.39 2.24 0.00 142 K 8.85 3.79 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.56 7.81 143 E 8.17 3.97 0.00 2.14 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 2.40 2.46 0.00 144 V 8.08 3.66 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 0.99 0.00 0.00 145 V 7.77 3.67 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 146 R 8.31 4.03 0.00 2.12 2.16 0.00 3.19 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 147 V 8.13 3.70 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 0.98 0.00 0.00 1.01 0.00 0.00 148 W 8.35 3.88 0.00 3.57 3.24 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 0.00 149 F 8.51 4.02 0.00 3.47 3.24 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 0.00 150 C 8.14 4.15 0.00 3.01 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 0.00 151 N 8.06 4.19 0.00 2.62 2.59 0.00 0.00 6.67 6.98 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 0.00 152 R 6.89 3.34 0.00 0.67 1.41 0.00 2.62 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 8.03 4.24 0.00 2.17 2.04 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 154 Q 8.36 3.95 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 155 R 8.29 3.94 0.00 1.74 1.90 0.00 2.91 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 156 E 8.02 4.37 0.00 2.15 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 0.00 2.60 2.37 0.00 157 K 7.58 4.44 0.00 1.83 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.27 7.81 158 R 7.30 4.59 0.00 1.88 1.96 0.00 3.19 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 159 V 8.32 3.81 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 0.70 0.00 0.00 0.93 0.00 0.00 160 K 7.68 4.18 0.00 1.67 1.62 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.