NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3369 8.3344 115.2860 58.1118 63.7912 172.4469 6 D 4.5519 8.0780 124.9207 52.2558 42.3329 175.7182 7 R 4.1054 9.1452 123.9445 57.8440 30.7516 176.8234 8 T 3.2478 7.2574 114.7384 62.8513 70.5219 174.2018 9 D 4.4878 7.7146 119.5320 53.8298 40.4141 176.9981 10 W 4.7831 7.1794 124.8798 60.1577 29.4421 178.1012 11 V 3.7857 8.2707 117.2437 66.2806 30.4568 177.3630 12 A 4.0711 8.7672 120.5869 55.4749 18.1912 179.4779 13 L 3.8756 7.7546 114.9876 57.1856 41.7105 179.5181 14 M 4.1040 7.8268 119.2932 58.4368 32.0125 178.5280 15 R 4.1185 7.6946 116.4093 57.8873 30.0839 178.1135 16 A 4.5719 8.2772 121.3981 54.2449 19.1101 179.0788 17 I 4.0132 7.8300 120.2314 65.1062 37.0637 179.1441 18 R 3.9962 7.4774 116.8997 59.5070 29.2791 180.1362 19 D 4.5184 7.4327 115.2005 56.4320 40.9471 177.6076 20 H 4.7652 9.2632 115.4591 56.1974 31.2408 174.4691 21 R 2.7946 9.2579 115.0589 56.5886 28.8504 176.9102 22 D 4.7413 7.9043 123.9674 54.3001 41.5478 174.8019 23 E 4.1317 9.0281 127.9365 59.3651 29.3952 178.9109 24 A 4.0720 8.2435 119.1816 55.1265 18.7355 178.9496 25 A 4.2058 8.9711 119.5083 55.6145 17.7966 179.4956 26 F 4.2637 8.8244 118.8326 61.6235 39.3783 176.8983 27 A 4.9113 8.4128 119.6442 54.1958 18.2461 178.8773 28 E 4.2390 8.1260 115.9165 58.1311 29.8250 178.5048 29 L 4.5956 7.6541 118.9698 57.0392 42.5561 178.1225 30 F 3.6931 9.1453 120.7171 61.4195 38.9827 176.7780 31 Q 4.1182 8.0644 117.7703 59.5361 28.8955 177.3942 32 H 4.3871 8.1496 117.1506 58.1015 30.4424 176.1520 33 F 4.4781 7.8482 118.5348 58.7142 39.4569 177.9055 34 A 3.5936 8.0071 120.9524 54.7217 17.7404 177.7887 35 P 4.3538 0.0000 0.0000 64.1641 31.3352 178.6794 36 K 4.0715 7.6595 117.8358 59.0604 32.5561 178.7368 37 V 3.4627 7.6704 118.5058 66.0629 31.3818 178.0560 38 K 4.1624 8.1698 119.1088 59.6137 31.9224 179.0775 39 G 3.6365 7.5677 104.1576 47.5790 0.0000 174.9756 40 F 4.2947 9.2263 124.0172 61.3252 39.4068 177.2086 41 L 4.2643 8.3054 118.3944 58.2204 41.3377 179.2533 42 M 4.4894 7.8707 117.6452 56.6529 31.8954 177.8907 43 K 3.8949 7.8932 118.1116 57.3554 32.5949 177.8952 44 S 4.7850 8.1986 114.0989 57.8584 63.1806 173.6497 45 G 4.0846 8.7462 113.7535 46.6532 0.0000 174.8706 46 S 4.0010 7.8569 115.4117 57.4695 64.0289 174.2790 47 V 3.9621 8.1375 121.9401 61.9872 33.9353 176.2055 48 A 3.9584 8.5946 123.1198 55.4306 17.8787 179.7311 49 S 4.0854 8.0845 110.7430 62.0771 62.8580 176.9434 50 Q 3.9781 8.1053 121.3036 58.1971 28.4029 178.4417 51 A 4.0635 8.3711 122.2047 54.8943 18.2188 179.4218 52 E 3.8702 7.9803 117.6837 59.3282 29.6896 178.5548 53 E 3.9268 7.8980 119.4316 59.5113 29.7248 178.2753 54 C 3.8142 8.1226 118.5215 62.4582 31.2939 175.4436 55 A 3.9083 7.7670 122.2142 55.0963 17.8782 179.7106 56 Q 4.1808 8.3696 117.0701 59.1151 28.7460 178.3742 57 D 4.3328 9.0250 120.3272 57.3735 41.2203 178.3126 58 V 3.4254 8.3226 119.0065 66.0039 31.4411 177.4249 59 M 4.2666 7.8905 117.3094 57.1113 32.2974 178.0479 60 A 4.2984 8.0495 120.2415 54.6537 18.4909 179.4516 61 T 4.1098 8.2702 114.7993 66.0985 68.5996 177.1288 62 V 3.4123 7.4359 119.6936 65.7923 31.4658 177.7257 63 W 4.4689 8.4319 129.4076 61.2434 30.7915 178.6315 64 Q 4.3141 8.2854 119.2792 58.9039 28.3048 178.3458 65 K 4.7300 9.0786 119.1689 55.5411 32.9146 177.5109 66 A 3.8866 7.7605 122.9659 54.6611 19.3648 179.9631 67 H 4.2780 7.8556 110.7340 58.3043 28.9863 176.9317 68 L 4.0552 7.0243 119.7153 57.1809 41.6384 177.6578 69 F 3.0890 6.7079 118.6188 58.4511 39.5372 174.0080 70 D 4.2275 7.5339 125.6042 51.5143 42.6841 173.8504 71 P 4.2339 0.0000 0.0000 63.8606 31.5210 176.9107 72 S 4.5612 7.6327 113.2052 58.5890 63.5161 174.6617 73 R 4.4593 7.4732 118.3729 55.9769 31.3558 174.5258 74 A 4.4394 7.4271 119.1490 50.7959 21.9771 175.5664 75 S 4.9731 8.1937 114.1510 57.0649 66.5994 175.3021 76 V 3.5741 8.4323 120.5405 65.7775 31.1331 177.7654 77 A 3.2359 7.9972 120.1269 55.2312 18.3277 179.1525 78 T 4.0128 7.8994 114.1172 66.8793 68.4975 176.2779 79 W 4.4034 8.7848 130.2174 60.9439 30.7028 178.0870 80 I 3.1483 7.7722 119.5337 63.8854 36.3583 177.9800 81 F 3.8276 8.8256 122.6202 61.6071 38.9104 177.3325 82 T 3.5288 7.8742 115.4051 66.5329 67.9573 176.6096 83 I 3.5224 6.9365 121.3813 63.6815 37.0538 178.1473 84 A 3.7567 7.3906 121.9647 54.3726 16.9750 179.5343 85 R 3.8721 7.5392 114.5818 58.5627 29.6228 177.7912 86 N 4.6455 7.3218 114.6951 53.7787 38.6922 175.5870 87 R 4.5870 7.1348 116.5641 55.6762 32.4172 175.4175 88 R 4.4715 7.5555 118.5215 56.6800 31.9420 177.6524 89 I 3.9416 7.1476 115.4839 63.3331 37.6303 177.7796 90 D 4.4727 8.2120 120.9609 56.0356 41.0642 176.3970 91 G 4.1523 7.4326 105.8904 44.0871 0.0000 172.6572 92 L 3.7705 8.5177 123.7272 56.4031 39.8902 175.6519 93 R 4.3356 7.5021 125.6682 53.5745 29.1910 175.7217 94 K 4.4310 8.0359 123.8165 55.1870 30.0240 175.9454 95 D 4.6596 8.6479 122.1237 53.1874 45.5987 174.5907 96 R 4.5704 8.2664 119.7718 54.6518 32.2064 175.2564 97 Q 4.3917 8.1903 124.5486 52.8088 29.4343 172.7978 98 P 4.3735 0.0000 0.0000 62.5421 32.2289 175.6381 99 E 4.7452 8.2214 117.0564 53.6144 32.6052 173.3894 100 P 4.4101 0.0000 0.0000 62.1212 32.0381 175.2628 101 E 3.8429 8.4268 119.8846 56.2426 30.1495 176.3879 102 D 4.8208 8.5190 122.6556 53.5349 40.9630 176.9253 103 L 4.3565 8.3224 125.9843 52.2509 41.3241 175.8502 104 F 4.9278 7.0137 116.3756 54.2376 40.6710 176.3036 105 W 4.3176 8.7266 121.5731 55.9316 29.6389 177.0178 106 G 4.2694 8.9056 111.1089 43.9371 0.0000 173.1878 107 P 4.6018 0.0000 0.0000 62.7524 29.7542 176.3821 108 D 4.6274 8.7212 117.1898 54.9593 41.9369 174.7761 109 S 4.4405 8.0213 120.6426 56.1302 62.7719 173.8074 110 E 3.7660 8.4441 129.7780 54.8414 29.9259 174.5423 111 P 2.9700 0.0000 0.0000 62.0387 32.1545 175.3958 112 D 4.1302 8.5554 122.4092 55.6498 41.5508 178.0567 113 Q 3.9974 8.9515 127.8054 60.5400 27.7351 175.9328 114 A 4.2250 7.8616 120.6836 55.4390 18.4860 179.1456 115 D 4.3394 7.9493 116.9988 57.4817 40.8524 179.3088 116 V 3.5202 7.6807 118.0523 66.2452 31.2367 177.0077 117 Y 4.0926 8.1021 119.1988 60.9802 38.6370 177.8751 118 E 4.1192 8.6448 118.6735 58.3401 29.8144 178.3394 119 M 4.1147 8.2603 118.7979 58.1549 32.4437 177.8052 120 Q 4.1685 8.0908 117.5140 57.8281 28.8940 178.4712 121 Q 3.7959 7.4168 119.2754 58.9520 28.9760 178.2022 122 E 4.0541 8.0213 119.0101 58.8614 29.3694 179.0473 123 N 4.3086 8.1966 117.5222 56.5827 39.0343 176.8566 124 A 4.0302 8.0361 122.1310 54.9893 17.8798 179.5379 125 R 3.8506 8.0038 117.4597 59.1488 29.9713 178.3124 126 L 4.1930 7.8245 120.1248 57.6344 41.9670 179.0424 127 G 3.5732 8.2930 106.0380 47.5666 0.0000 175.7394 128 R 3.8890 8.0534 120.1677 58.9064 30.1299 177.8502 129 A 4.3196 7.3695 118.0763 53.7058 19.0580 179.3588 130 I 3.9952 7.2914 117.9397 63.5935 38.4204 177.7096 131 A 4.1006 7.2748 124.3895 52.1659 16.0131 176.7093 *139 A 4.3910 8.1803 125.9482 52.7813 21.2046 180.1675 140 L 4.0364 7.8754 117.7768 59.6135 40.8923 181.4681 141 I 3.9533 7.6810 119.0655 64.3983 37.3938 177.6336 142 E 3.9942 8.3801 118.7721 59.9385 29.1395 179.8201 143 R 4.0809 8.0861 117.0273 59.1311 29.9082 178.6347 144 A 3.8935 7.7343 119.7592 54.8956 18.3867 178.8188 145 F 4.4121 7.6672 112.8838 57.8409 39.7279 177.3773 146 F 5.2120 7.7694 116.3665 57.5112 40.0285 176.7742 147 G 3.9095 7.6342 114.0723 46.4265 0.0000 172.7162 148 D 4.4453 8.1390 123.8441 52.3436 43.5093 175.2127 149 L 4.3552 8.4620 125.1431 54.6997 42.0484 177.1098 150 T 4.4578 8.5186 112.9673 64.0117 68.2133 171.6412 *151 H 4.7297 8.2010 121.7414 56.0851 29.0868 179.1002 152 R 4.6917 7.9084 117.3982 55.5868 32.6465 181.4905 153 E 4.5867 8.4674 119.2806 53.9128 31.1158 175.6463 154 L 4.1797 8.3053 126.2146 55.9390 41.4576 177.3399 155 A 4.1853 8.0240 118.2744 54.4886 18.6016 178.5185 156 A 4.0375 8.0838 121.5300 55.3140 18.0046 178.2133 157 E 4.3876 7.2735 112.7143 57.0837 32.1625 178.4185 158 T 4.1554 7.9097 115.6994 61.0250 69.7058 178.6243 159 G 4.0164 12.0000 112.8726 46.1504 0.0000 174.2256 160 L 4.5699 7.7047 129.7608 54.5675 43.0807 176.3585 161 P 4.6298 0.0000 0.0000 61.4049 30.3371 175.9971 162 L 4.0637 7.5505 119.7239 55.2157 42.3677 176.6583 163 G 4.1245 7.5636 120.2452 46.4107 0.0000 174.1794 164 T 4.6173 7.4226 112.0871 60.0793 70.5509 178.3825 165 I 4.0945 7.6809 121.1837 63.1279 35.5916 182.3695 166 K 4.1712 7.9954 121.6299 60.6419 31.7215 180.0877 167 S 4.7132 8.0339 120.8814 63.7401 62.7008 178.9551 168 R 4.2715 7.8953 122.8448 61.9407 28.6745 182.7277 169 I 3.9400 9.3690 120.3793 64.2778 36.7763 178.3714 170 R 4.1221 9.5068 121.4287 58.6962 29.8031 178.8220 171 L 4.0253 7.8895 122.0559 59.2712 41.2021 183.8574 172 A 4.3314 8.0008 120.2848 55.1588 18.3907 179.2635 173 L 3.9655 7.3630 115.1552 58.0209 41.8291 178.7294 174 D 4.5104 7.3842 118.5720 57.9617 41.1882 177.0033 175 R 4.2327 8.2075 121.1004 56.3896 29.5306 177.7075 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 S 8.33 4.34 0.00 3.84 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 6 D 8.08 4.55 0.00 2.69 2.40 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 7 R 9.15 4.11 0.00 1.71 1.86 0.00 3.21 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 8 T 7.26 3.25 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 9 D 7.71 4.49 0.00 2.71 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 0.00 0.00 0.00 10 W 7.18 4.78 0.00 3.47 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 11 V 8.27 3.79 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 1.24 0.00 0.00 1.11 0.00 0.00 12 A 8.77 4.07 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 13 L 7.75 3.88 0.00 1.89 1.84 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.83 4.10 0.00 1.81 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.58 0.00 15 R 7.69 4.12 0.00 1.89 2.16 0.00 3.30 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 1.95 1.87 0.00 16 A 8.28 4.57 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.01 1.88 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.05 0.32 0.00 0.00 18 R 7.48 4.00 0.00 1.81 1.86 0.00 3.26 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 19 D 7.43 4.52 0.00 3.24 2.27 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 20 H 9.26 4.77 0.00 3.22 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.26 2.79 0.00 2.15 2.19 0.00 3.22 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 22 D 7.90 4.74 0.00 3.06 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 23 E 9.03 4.13 0.00 2.10 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 2.17 2.51 0.00 24 A 8.24 4.07 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 25 A 8.97 4.21 1.61 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 26 F 8.82 4.26 0.00 3.73 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.41 4.91 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 28 E 8.13 4.24 0.00 2.23 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 0.00 2.67 2.54 0.00 29 L 7.65 4.60 0.00 1.93 1.80 1.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.15 3.69 0.00 2.72 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 31 Q 8.06 4.12 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 32 H 8.15 4.39 0.00 3.94 2.38 0.00 5.96 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.85 4.48 0.00 3.01 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 34 A 8.01 3.59 0.38 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 35 P 0.00 4.35 0.00 2.12 2.08 0.00 3.55 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 2.23 2.14 0.00 36 K 7.66 4.07 0.00 1.94 1.85 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.47 1.38 7.81 37 V 7.67 3.46 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 0.87 0.00 0.00 0.80 0.00 0.00 38 K 8.17 4.16 0.00 1.94 1.77 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.55 7.81 39 G 7.57 3.64 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 0.00 0.00 0.00 40 F 9.23 4.29 0.00 3.29 3.29 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 41 L 8.31 4.26 0.00 1.84 1.80 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 M 7.87 4.49 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.44 0.00 43 K 7.89 3.89 0.00 1.44 0.74 0.00 1.54 0.00 0.00 1.03 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.02 1.43 7.81 44 S 8.20 4.79 0.00 4.07 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 45 G 8.75 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 0.00 0.00 0.00 46 S 7.86 4.00 0.00 3.96 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 47 V 8.14 3.96 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 1.13 0.00 0.00 0.93 0.00 0.00 48 A 8.59 3.96 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 49 S 8.08 4.09 0.00 4.06 4.18 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 50 Q 8.11 3.98 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 51 A 8.37 4.06 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 52 E 7.98 3.87 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 53 E 7.90 3.93 0.00 2.10 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 2.32 2.37 0.00 54 C 8.12 3.81 0.00 3.04 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 55 A 7.77 3.91 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 56 Q 8.37 4.18 0.00 2.46 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 57 D 9.03 4.33 0.00 2.73 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 58 V 8.32 3.43 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 0.72 0.00 0.00 0.85 0.00 0.00 59 M 7.89 4.27 0.00 2.39 2.35 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 1.91 2.54 0.00 60 A 8.05 4.30 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 T 8.27 4.11 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 1.17 0.00 0.00 62 V 7.44 3.41 2.39 0.00 0.00 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 0.00 0.00 0.71 0.00 0.00 63 W 8.43 4.47 0.00 3.41 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.29 4.31 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.13 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 65 K 9.08 4.73 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.37 7.81 66 A 7.76 3.89 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 67 H 7.86 4.28 0.00 3.09 3.33 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.02 4.06 0.00 1.81 1.93 1.02 0.96 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 69 F 6.71 3.09 0.00 1.51 2.52 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 70 D 7.53 4.23 0.00 2.73 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 0.00 0.00 0.00 0.00 71 P 0.00 4.23 0.00 2.19 2.20 0.00 3.42 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 72 S 7.63 4.56 0.00 3.96 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 73 R 7.47 4.46 0.00 1.90 1.99 0.00 3.22 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 74 A 7.43 4.44 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.97 0.00 4.20 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 76 V 8.43 3.57 2.38 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 1.11 0.00 0.00 1.01 0.00 0.00 77 A 8.00 3.24 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 78 T 7.90 4.01 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 79 W 8.78 4.40 0.00 3.62 3.32 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 80 I 7.77 3.15 1.40 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.01 0.42 0.00 0.00 81 F 8.83 3.83 0.00 2.73 3.19 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 82 T 7.87 3.53 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 1.08 0.00 0.00 83 I 6.94 3.52 1.52 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.13 0.68 0.00 0.00 84 A 7.39 3.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.54 3.87 0.00 1.88 1.69 0.00 2.65 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 86 N 7.32 4.65 0.00 2.63 2.80 0.00 0.00 6.76 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 87 R 7.13 4.59 0.00 1.78 1.79 0.00 3.02 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 88 R 7.56 4.47 0.00 1.94 2.00 0.00 3.33 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 89 I 7.15 3.94 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.90 0.00 0.00 90 D 8.21 4.47 0.00 2.76 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 91 G 7.43 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 92 L 8.52 3.77 0.00 1.92 1.89 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.50 4.34 0.00 1.78 1.90 0.00 3.24 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 94 K 8.04 4.43 0.00 1.77 1.77 0.00 1.75 0.00 0.00 2.36 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.48 7.81 95 D 8.65 4.66 0.00 2.87 2.53 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 96 R 8.27 4.57 0.00 1.72 1.76 0.00 3.17 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 97 Q 8.19 4.39 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 98 P 0.00 4.37 0.00 2.07 2.01 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 99 E 8.22 4.75 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 100 P 0.00 4.41 0.00 2.22 2.12 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 101 E 8.43 3.84 0.00 1.93 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 2.27 2.38 0.00 102 D 8.52 4.82 0.00 2.89 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 0.00 103 L 8.32 4.36 0.00 1.51 1.39 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.01 4.93 0.00 3.26 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 0.00 105 W 8.73 4.32 0.00 3.31 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.37 2.03 0.00 114 A 7.86 4.23 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 0.00 115 D 7.95 4.34 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.68 3.52 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.86 0.00 0.00 117 Y 8.10 4.09 0.00 3.10 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 0.00 118 E 8.64 4.12 0.00 2.17 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 2.47 2.70 0.00 119 M 8.26 4.11 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 120 Q 8.09 4.17 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 121 Q 7.42 3.80 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.39 1.68 0.00 122 E 8.02 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.76 0.86 0.00 0.00 131 A 7.27 4.10 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 *139 A 8.18 4.39 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 0.00 140 L 7.88 4.04 0.00 1.66 1.69 0.92 0.84 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 0.00 141 I 7.68 3.95 1.89 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 1.67 0.87 0.92 0.00 0.00 142 E 8.38 3.99 0.00 2.13 2.38 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 2.49 2.48 0.00 143 R 8.09 4.08 0.00 2.17 2.02 0.00 3.18 0.00 0.00 3.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 144 A 7.73 3.89 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 0.00 145 F 7.67 4.41 0.00 2.52 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 0.00 146 F 7.77 5.21 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 0.00 147 G 7.63 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.14 4.45 0.00 2.64 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 0.00 0.00 0.00 0.00 149 L 8.46 4.36 0.00 1.66 1.54 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.52 4.46 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 *151 H 8.20 4.73 0.00 2.91 2.99 0.00 7.11 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.91 4.69 0.00 1.77 1.67 0.00 3.17 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 153 E 8.47 4.59 0.00 1.83 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 2.19 1.83 0.00 154 L 8.31 4.18 0.00 1.57 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.02 4.19 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 0.00 156 A 8.08 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.27 4.39 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 158 T 7.91 4.16 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 0.00 159 G 12.00 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 0.00 0.00 0.00 160 L 7.70 4.57 0.00 1.64 1.69 0.92 1.12 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 0.00 161 P 0.00 4.63 0.00 2.19 2.11 0.00 4.04 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 162 L 7.55 4.06 0.00 1.66 1.65 0.92 0.99 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 0.00 163 G 7.56 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 0.00 0.00 0.00 164 T 7.42 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 1.21 0.00 0.00 165 I 7.68 4.09 1.87 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 1.41 0.56 0.91 0.00 0.00 166 K 8.00 4.17 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 167 S 8.03 4.71 0.00 3.71 3.78 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 0.00 168 R 7.90 4.27 0.00 1.83 1.95 0.00 3.25 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 169 I 9.37 3.94 1.92 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 1.21 2.84 0.94 0.00 0.00 170 R 9.51 4.12 0.00 2.06 1.93 0.00 3.25 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 171 L 7.89 4.03 0.00 1.71 1.64 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 172 A 8.00 4.33 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 0.00 173 L 7.36 3.97 0.00 1.63 1.69 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 174 D 7.38 4.51 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.21 4.23 0.00 1.85 1.68 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.