NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7199 8.1633 120.6084 55.5321 34.2426 173.7270 2 I 4.4976 8.9885 127.6078 59.6359 39.2017 173.1115 3 I 4.5793 9.2914 129.5830 59.7098 40.1415 173.7941 4 Y 4.6386 8.5047 124.9664 56.2726 39.6669 174.6613 5 R 5.0012 8.7610 124.9385 53.9340 33.8107 174.0493 6 D 4.7494 9.3423 126.3272 54.6411 41.5209 176.8208 7 L 4.0032 9.4416 129.2200 57.8142 42.2058 177.8449 8 I 4.1718 8.8669 118.8973 62.8449 38.1001 176.9687 9 S 4.3451 8.2549 111.4758 58.4041 63.6181 174.5213 10 H 4.2846 8.1679 116.6207 56.2519 27.0111 174.4697 11 D 4.6816 7.6201 120.1343 53.9101 42.0393 175.9379 12 V 4.0121 8.4196 122.7129 63.7689 31.5712 175.2152 13 M 4.6597 8.9075 128.4484 57.2339 33.2858 175.8781 14 F 4.5934 7.0389 111.1701 56.2699 40.9579 172.3061 15 S 5.4068 8.8943 113.1999 56.0342 66.7021 173.7496 16 D 5.1361 8.6306 117.2593 53.9375 39.0857 177.6036 17 I 3.8158 7.4458 111.7873 62.5180 38.3227 175.2662 18 Y 4.6750 7.2796 118.9709 55.8642 40.3602 174.5512 19 K 4.2843 8.5480 122.6829 56.7125 32.9570 175.2682 20 I 4.9009 8.3260 128.7625 59.6554 39.0190 175.5809 21 R 4.7206 8.9012 125.7168 54.2421 33.9284 174.0855 22 E 4.9631 8.7471 123.3863 55.1274 30.9786 174.9355 23 I 4.6473 8.3922 118.9794 58.4334 41.6301 174.3511 24 A 3.9295 8.9946 121.7529 53.7029 15.5146 177.1739 25 D 4.2076 8.6497 112.5508 55.6858 38.5475 174.9339 26 G 3.9478 8.3000 103.9004 46.8240 0.0000 175.2420 27 L 4.5794 7.7075 122.7795 55.5253 43.2700 175.6380 28 C 5.4582 7.9982 114.6787 57.7396 32.6945 173.0239 29 L 5.0317 8.8480 121.3522 52.9849 44.3245 175.0243 30 E 4.9281 9.4433 125.4121 54.6814 31.5383 174.4708 31 V 4.4909 8.8248 128.3744 61.0921 33.5285 173.9407 32 E 4.6313 8.7275 129.8230 55.3074 30.7247 175.1722 33 G 4.3050 8.6439 113.0732 44.4016 0.0000 171.3042 34 K 4.9206 8.9640 117.3623 54.6031 36.7676 175.8145 35 M 4.8247 8.5934 121.6393 54.9645 32.7730 176.0830 36 V 4.5930 9.0632 123.4499 61.1211 35.7505 174.2639 37 S 4.8909 8.4846 120.3962 56.7906 65.1934 173.8466 *68 T 4.8361 7.7299 117.8589 61.1663 68.1426 173.4766 69 G 3.9892 7.7365 113.9848 44.7020 0.0000 171.0025 70 V 4.2888 7.4589 118.7281 62.1379 33.1325 176.4984 71 D 4.3508 8.5904 126.5081 56.6222 39.2083 178.8271 72 I 3.5699 7.4634 122.1231 63.4687 37.0685 178.3537 73 V 3.4201 7.4301 118.3094 66.0196 31.1733 177.7946 74 M 4.0183 7.6917 118.0605 58.2845 31.8189 178.4724 75 N 4.3255 8.7999 116.0951 55.5849 38.6798 175.6577 76 H 4.9143 7.5404 114.4745 54.8764 29.6511 173.5980 77 H 4.1271 7.5283 115.2927 56.7618 26.6747 175.2323 78 L 4.5033 8.0214 117.8389 55.0864 42.6395 177.7005 79 Q 4.7549 9.2456 122.6240 54.1454 30.8540 174.7763 80 E 3.7290 8.8778 125.4724 56.3220 30.4390 175.2802 81 T 4.7596 8.6567 120.7461 60.2997 71.1882 172.4396 82 S 4.8260 7.9869 116.3391 56.4725 66.1176 173.3214 83 F 4.8135 8.1841 118.9240 55.1193 42.8997 175.4533 84 T 4.3932 8.5086 114.9265 61.1645 71.0842 175.7019 85 K 2.7887 8.4067 122.1140 59.6748 32.0918 179.0504 86 E 3.8644 8.0313 118.3848 59.3202 29.7212 178.5993 87 A 4.1450 8.2654 120.8916 55.2947 18.4437 179.0136 88 Y 3.5684 8.4909 118.3407 60.5632 38.6864 178.1955 89 K 3.9404 8.1477 119.5680 59.1125 31.9776 179.2847 90 K 3.9198 7.9770 119.5623 59.6356 32.2643 178.0277 91 Y 4.1189 8.0095 119.8416 61.0053 38.6521 178.2259 92 I 2.8291 7.2276 119.1361 63.2797 37.9133 177.6549 93 K 3.7426 7.4863 120.7319 59.7122 32.0166 178.5648 94 D 4.3294 7.7189 118.9046 57.3511 40.7386 178.2098 95 Y 3.9857 7.5156 121.5475 60.0454 38.6511 177.5706 96 M 4.1163 8.4487 119.9854 58.5265 32.1408 178.4678 97 K 3.8299 7.8840 118.5118 59.8205 32.4549 179.3679 98 S 4.0754 8.1639 114.0976 61.7046 62.7374 176.5602 99 I 3.6475 7.3815 122.9043 63.2783 36.7104 178.0096 100 K 3.8855 8.1503 121.0023 59.6387 31.8130 178.6749 101 G 3.7871 7.6318 104.2339 48.0770 0.0000 175.3128 102 K 4.1006 7.4670 119.3136 59.1711 32.0142 179.5217 103 L 3.9226 7.8839 119.2515 57.8693 41.3161 179.4564 104 E 3.9902 8.3069 117.7278 59.1294 29.4163 178.6528 105 E 4.2762 7.6837 117.1789 57.4659 29.7880 176.7941 106 Q 4.4176 7.6818 114.5382 57.0410 31.4329 176.5201 107 R 4.5742 8.0580 118.9366 53.7109 30.8318 174.0024 108 P 4.4204 0.0000 0.0000 64.0742 31.8380 177.8749 109 E 3.9171 8.0292 118.0304 57.7483 30.1542 177.6649 110 R 4.3269 7.9576 117.2597 57.8798 30.4180 178.2849 111 V 3.6181 7.1981 118.5404 66.1466 31.5228 177.7901 112 K 3.9191 8.0249 118.1597 59.3142 32.2394 176.7987 113 P 4.3325 0.0000 0.0000 65.6919 31.1164 178.0637 114 F 4.3280 8.9381 120.1304 61.4075 39.4031 176.8355 115 M 3.6065 8.4579 118.0564 58.8209 31.4912 179.2148 116 T 3.9341 7.8570 115.3435 66.5887 68.6831 177.2112 117 G 3.6524 8.1745 107.4818 47.4869 0.0000 175.7307 118 A 3.9588 8.4752 123.4209 55.0224 18.5307 179.5219 119 A 4.0850 7.7173 119.1670 55.3377 17.7716 179.4388 120 E 4.0391 7.8959 116.6165 59.1900 29.7023 178.7165 121 Q 4.0861 8.2023 119.8495 58.9527 29.1673 177.6532 122 I 3.8619 8.3727 121.3711 64.7810 37.0239 178.1019 123 K 3.9444 7.4572 116.5339 60.1504 31.8004 178.6377 124 H 4.4059 8.1110 117.0975 58.9340 29.5713 177.5526 125 I 3.8720 8.2753 122.3716 64.4394 36.9104 178.2540 126 L 4.3260 8.4394 117.6905 56.8283 41.4044 179.1320 127 A 4.2597 7.5260 119.8067 54.3980 18.6945 178.4703 128 N 4.8673 7.8172 114.1642 52.6974 39.6390 176.8903 129 F 3.9103 8.6136 123.4055 61.3986 39.3590 176.4074 130 K 4.4926 8.0784 116.4827 56.3923 31.9151 176.6684 131 N 4.4841 8.5568 118.3701 53.7982 39.2999 174.7131 132 Y 4.7443 6.6615 114.3249 56.5738 39.6723 175.1704 133 Q 4.3073 8.4523 121.1010 54.0387 32.2705 174.4301 134 F 5.3237 8.0803 120.1385 55.8363 41.9817 174.5867 135 F 5.4162 9.2783 121.4417 55.6847 43.2929 173.8939 136 I 5.0827 8.9027 115.6139 58.4536 41.4103 175.1605 137 G 4.2212 8.7807 111.4852 45.4676 0.0000 174.4567 138 E 4.1634 8.6825 117.2166 58.7923 29.7873 177.8388 139 N 4.5023 8.3595 115.3490 53.7821 39.0229 174.4991 140 M 3.1600 7.8613 117.2898 56.1177 30.2979 176.9828 141 N 4.5870 8.0121 117.1129 52.4349 39.8570 173.5488 142 P 4.3560 0.0000 0.0000 65.8848 31.5554 177.2092 143 D 4.6658 8.6890 117.5612 55.7019 40.9687 176.5619 144 G 4.0583 7.7785 108.5811 44.7135 0.0000 172.9469 145 M 3.7856 9.1888 119.6357 55.3546 32.6272 175.5690 146 V 4.5680 7.8163 124.7376 61.1846 33.0299 175.0343 147 A 4.1799 9.2016 131.1730 51.4251 20.1459 175.6772 148 L 4.7404 7.8363 120.6672 52.8428 44.2084 175.2294 149 L 4.7320 8.6608 126.0245 53.3245 44.3748 174.6958 150 D 4.9194 7.9946 124.4233 52.9755 45.5177 172.9174 151 Y 5.1426 8.2693 117.0597 56.2910 41.6523 176.6728 152 R 4.5250 8.5742 120.1472 55.3152 32.4781 177.0012 153 E 3.9015 8.9282 117.8845 60.4002 29.1274 178.7639 154 D 4.3946 8.2704 115.9848 53.6653 39.6946 177.1820 155 G 4.0475 8.5353 108.0187 46.4296 0.0000 174.5872 156 V 4.1953 7.8302 108.6239 60.4251 33.9455 175.6663 157 T 4.6572 8.4920 118.1213 61.2033 69.3815 172.3905 158 P 4.4303 0.0000 0.0000 62.5660 33.2353 174.8452 159 Y 5.2013 8.1695 118.5395 55.9356 41.9595 173.5354 160 M 5.6170 9.3237 120.1725 52.6129 36.2979 174.4329 161 I 4.9277 7.7587 122.3014 59.5740 40.1958 174.5991 162 F 5.0636 8.8809 124.3584 55.4395 43.4328 174.6681 163 F 4.9216 8.9338 120.2004 56.7092 39.2949 176.3614 164 K 4.0102 9.3415 128.6376 59.8654 31.9958 178.2661 165 D 4.5396 8.4382 115.2878 55.8190 40.9477 176.8543 166 G 4.1371 8.4806 107.8272 44.6716 0.0000 173.1168 167 L 5.4624 7.8295 119.9639 52.8799 44.2673 175.7114 168 E 4.8197 9.2526 119.3173 54.9533 33.1154 174.5861 169 M 4.8887 8.4553 119.7593 53.8685 35.1112 175.0665 170 E 4.6294 8.4520 118.8761 54.6432 34.3626 174.3279 171 K 4.7816 8.5870 124.5717 55.1023 33.8640 174.9833 172 C 4.8229 9.0022 125.7173 58.0990 29.9095 173.3483 173 L 4.8613 8.3188 122.7030 52.2920 45.5557 176.4440 174 E 4.1359 8.6187 116.4814 56.7990 29.7077 176.7607 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 1 M 8.16 4.72 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 2 I 8.99 4.50 1.81 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 1.12 0.92 0.37 0.00 0.00 3 I 9.29 4.58 1.75 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 1.16 0.98 0.84 0.00 0.00 4 Y 8.50 4.64 0.00 1.47 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 0.00 0.00 0.00 5 R 8.76 5.00 0.00 1.76 1.78 0.00 3.11 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 6 D 9.34 4.75 0.00 2.85 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 7 L 9.44 4.00 0.00 1.78 1.73 0.91 1.10 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 8 I 8.87 4.17 2.10 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 1.33 0.73 1.01 0.00 0.00 9 S 8.25 4.35 0.00 4.12 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 10 H 8.17 4.28 0.00 3.40 3.49 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.62 4.68 0.00 2.70 2.68 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 12 V 8.42 4.01 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 0.78 0.00 0.00 0.95 0.00 0.00 13 M 8.91 4.66 0.00 2.20 2.03 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 2.84 2.95 0.00 14 F 7.04 4.59 0.00 3.10 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 15 S 8.89 5.41 0.00 3.90 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 16 D 8.63 5.14 0.00 2.86 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 17 I 7.45 3.82 1.62 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.79 0.00 0.00 18 Y 7.28 4.68 0.00 3.03 3.06 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 19 K 8.55 4.28 0.00 1.88 1.75 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.49 7.81 20 I 8.33 4.90 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.83 0.00 0.00 21 R 8.90 4.72 0.00 1.62 1.74 0.00 3.26 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 22 E 8.75 4.96 0.00 2.00 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 2.27 2.34 0.00 23 I 8.39 4.65 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 1.15 0.70 0.87 0.00 0.00 24 A 8.99 3.93 1.38 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 0.00 0.00 25 D 8.65 4.21 0.00 2.86 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 26 G 8.30 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.71 4.58 0.00 1.90 1.90 1.20 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.00 5.46 0.00 2.82 2.68 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 29 L 8.85 5.03 0.00 1.61 1.46 1.00 0.84 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 30 E 9.44 4.93 0.00 1.95 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 2.14 2.31 0.00 31 V 8.82 4.49 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 0.52 0.00 0.00 -0.26 0.00 0.00 32 E 8.73 4.63 0.00 2.02 1.83 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 2.28 2.27 0.00 33 G 8.64 4.31 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 0.00 34 K 8.96 4.92 0.00 1.89 1.69 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 35 M 8.59 4.82 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 36 V 9.06 4.59 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 0.99 0.00 0.00 0.96 0.00 0.00 37 S 8.48 4.89 0.00 3.87 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 *68 T 7.73 4.84 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 69 G 7.74 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.46 4.29 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 0.88 0.00 0.00 0.82 0.00 0.00 71 D 8.59 4.35 0.00 3.10 2.95 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 0.00 0.00 0.00 72 I 7.46 3.57 1.58 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.74 0.78 0.00 0.00 73 V 7.43 3.42 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 0.95 0.00 0.00 -0.02 0.00 0.00 74 M 7.69 4.02 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 75 N 8.80 4.33 0.00 2.67 2.75 0.00 0.00 6.92 7.34 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 76 H 7.54 4.91 0.00 3.18 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.53 4.13 0.00 3.28 3.42 0.00 5.85 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.02 4.50 0.00 1.54 1.79 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.25 4.75 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 80 E 8.88 3.73 0.00 1.79 1.66 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 1.82 1.47 0.00 81 T 8.66 4.76 4.11 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 1.19 0.00 0.00 82 S 7.99 4.83 0.00 3.92 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 83 F 8.18 4.81 0.00 2.60 3.05 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 0.00 0.00 0.00 84 T 8.51 4.39 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 85 K 8.41 2.79 0.00 1.54 1.59 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.95 7.81 86 E 8.03 3.86 0.00 2.01 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 2.38 2.37 0.00 87 A 8.27 4.15 1.53 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 88 Y 8.49 3.57 0.00 2.98 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 89 K 8.15 3.94 0.00 2.05 1.83 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.66 7.81 90 K 7.98 3.92 0.00 1.88 2.00 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.45 7.81 91 Y 8.01 4.12 0.00 3.20 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 92 I 7.23 2.83 1.06 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.72 0.00 0.00 93 K 7.49 3.74 0.00 1.90 1.79 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 94 D 7.72 4.33 0.00 2.79 2.68 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 95 Y 7.52 3.99 0.00 2.33 2.62 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 96 M 8.45 4.12 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.81 0.00 97 K 7.88 3.83 0.00 1.95 1.81 0.00 1.52 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 98 S 8.16 4.08 0.00 3.98 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 99 I 7.38 3.65 1.50 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.03 0.02 0.00 0.00 100 K 8.15 3.89 0.00 1.97 1.98 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 101 G 7.63 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 0.00 0.00 0.00 102 K 7.47 4.10 0.00 1.91 1.78 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 103 L 7.88 3.92 0.00 1.77 1.78 0.58 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.31 3.99 0.00 2.03 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 2.45 0.00 105 E 7.68 4.28 0.00 2.03 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 2.30 2.46 0.00 106 Q 7.68 4.42 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.20 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 107 R 8.06 4.57 0.00 1.75 1.77 0.00 3.13 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 108 P 0.00 4.42 0.00 2.17 2.08 0.00 3.58 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 2.10 2.22 0.00 109 E 8.03 3.92 0.00 1.93 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 2.30 2.34 0.00 110 R 7.96 4.33 0.00 2.02 1.96 0.00 3.42 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 111 V 7.20 3.62 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 1.03 0.00 0.00 0.95 0.00 0.00 112 K 8.02 3.92 0.00 1.88 1.81 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 113 P 0.00 4.33 0.00 2.28 2.15 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 114 F 8.94 4.33 0.00 3.11 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 0.00 115 M 8.46 3.61 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.99 0.00 116 T 7.86 3.93 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 0.00 117 G 8.17 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 0.00 118 A 8.48 3.96 0.65 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 0.00 119 A 7.72 4.08 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 0.00 120 E 7.90 4.04 0.00 2.33 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 2.32 2.38 0.00 121 Q 8.20 4.09 0.00 2.48 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 122 I 8.37 3.86 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.62 1.01 0.00 0.00 123 K 7.46 3.94 0.00 2.05 1.94 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.65 7.81 124 H 8.11 4.41 0.00 3.35 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.28 3.87 2.19 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 1.28 0.64 0.75 0.00 0.00 126 L 8.44 4.33 0.00 1.63 1.74 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.53 4.26 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 0.00 128 N 7.82 4.87 0.00 2.59 2.38 0.00 0.00 6.66 8.03 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 0.00 129 F 8.61 3.91 0.00 3.31 3.18 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 0.00 130 K 8.08 4.49 0.00 1.80 1.83 0.00 1.97 0.00 0.00 2.06 0.00 0.00 3.17 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.54 1.48 7.81 131 N 8.56 4.48 0.00 2.06 2.62 0.00 0.00 6.83 7.34 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 0.00 132 Y 6.66 4.74 0.00 2.17 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 0.00 0.00 0.00 133 Q 8.45 4.31 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 134 F 8.08 5.32 0.00 3.13 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 0.00 135 F 9.28 5.42 0.00 2.95 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 0.00 136 I 8.90 5.08 1.95 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 1.37 1.37 1.00 0.00 0.00 137 G 8.78 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 0.00 0.00 0.00 0.00 138 E 8.68 4.16 0.00 2.15 2.36 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 2.35 2.38 0.00 139 N 8.36 4.50 0.00 2.99 2.95 0.00 0.00 7.06 8.94 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 0.00 140 M 7.86 3.16 0.00 2.16 2.14 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 2.80 2.49 0.00 141 N 8.01 4.59 0.00 2.78 2.78 0.00 0.00 6.80 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 0.00 142 P 0.00 4.36 0.00 2.30 2.21 0.00 3.87 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 2.05 2.03 0.00 143 D 8.69 4.67 0.00 2.88 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 0.00 144 G 7.78 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 0.00 145 M 9.19 3.79 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.65 0.00 146 V 7.82 4.57 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 1.08 0.00 0.00 0.64 0.00 0.00 147 A 9.20 4.18 0.61 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 0.00 148 L 7.84 4.74 0.00 1.24 1.05 0.91 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.66 4.73 0.00 1.58 1.65 0.47 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.99 4.92 0.00 2.49 1.54 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 0.00 151 Y 8.27 5.14 0.00 2.79 2.82 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 0.00 152 R 8.57 4.52 0.00 1.98 1.91 0.00 3.12 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 153 E 8.93 3.90 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 2.33 2.42 0.00 154 D 8.27 4.39 0.00 2.91 2.92 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 0.00 155 G 8.54 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.83 4.20 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 0.68 0.00 0.00 1.04 0.00 0.00 157 T 8.49 4.66 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 1.26 0.00 0.00 158 P 0.00 4.43 0.00 1.74 1.60 0.00 3.83 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 159 Y 8.17 5.20 0.00 3.04 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 0.00 160 M 9.32 5.62 0.00 1.44 1.81 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 161 I 7.76 4.93 1.60 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 1.39 1.33 0.69 0.00 0.00 162 F 8.88 5.06 0.00 3.01 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 0.00 163 F 8.93 4.92 0.00 3.48 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 0.00 164 K 9.34 4.01 0.00 1.93 2.04 0.00 1.73 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.57 7.81 165 D 8.44 4.54 0.00 2.38 2.30 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 0.00 166 G 8.48 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 0.00 167 L 7.83 5.46 0.00 1.82 1.71 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 168 E 9.25 4.82 0.00 1.93 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 2.33 2.22 0.00 169 M 8.46 4.89 0.00 1.47 1.79 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.83 0.00 170 E 8.45 4.63 0.00 1.76 1.68 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 2.15 2.15 0.00 171 K 8.59 4.78 0.00 1.69 1.65 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.39 7.81 172 C 9.00 4.82 0.00 2.79 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 0.00 173 L 8.32 4.86 0.00 1.55 1.51 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.62 4.14 0.00 2.07 1.92 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 2.26 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.