NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1788 8.0549 114.0118 60.5587 33.0927 175.1854 8 P 4.3850 0.0000 0.0000 62.3840 32.8375 173.4588 9 T 5.0540 9.1639 118.8169 62.3123 70.7274 174.3549 10 V 4.0390 9.0840 118.6140 62.3830 33.7560 176.6765 *21 F 4.6000 7.7459 117.9694 57.1361 39.9587 174.6232 22 D 5.0809 8.5332 125.5253 52.4948 41.8600 177.1324 23 I 3.5588 8.1290 119.5406 64.5426 37.7367 177.5241 24 Y 4.2912 7.6345 116.8726 61.3124 37.4822 178.7372 25 S 4.2707 8.4063 114.7202 61.3331 63.2823 176.3178 26 R 3.5962 8.0354 121.5826 59.4390 29.8395 178.7189 27 L 4.0773 8.0858 118.6378 57.5461 41.5109 179.2251 28 L 4.3215 8.2398 122.0120 57.3475 41.7913 178.7631 29 K 4.2639 7.9050 117.1562 57.9881 30.8065 177.2523 30 E 4.5672 8.0592 118.4923 55.6862 30.1900 176.4150 31 R 3.8763 8.3354 117.2502 57.4021 27.7489 175.2734 32 I 4.9703 7.2087 116.4037 60.1890 39.0084 175.1767 33 V 4.7114 9.2081 126.8745 61.1211 34.5188 173.9614 34 F 5.4521 9.1993 125.8565 55.8728 41.2336 174.6976 35 L 4.8682 9.2695 125.6624 53.4840 44.0246 174.6082 36 N 5.1801 8.8733 124.7777 53.7097 41.5525 174.3623 37 G 3.8262 9.0851 115.0069 43.8907 0.0000 171.8758 38 E 4.2184 8.4037 119.6783 56.3766 30.5838 178.1219 39 V 4.1233 9.0174 127.3147 62.5561 32.5820 174.3887 40 N 5.0961 8.9377 125.6107 50.8215 41.0963 174.8888 41 D 4.3411 8.9235 117.2517 57.9670 40.7921 178.3412 42 H 4.1176 8.2057 118.2872 59.4297 29.8784 177.3393 43 S 4.1723 8.1123 115.3516 61.1906 63.0159 176.1062 44 A 4.0258 8.2889 124.6676 54.9582 18.0874 179.1528 45 N 4.2274 8.2974 115.6095 56.6987 39.0599 176.7293 46 L 3.9000 7.7637 120.5494 58.0715 41.7038 179.9353 47 V 3.4937 7.4247 117.6962 66.0332 31.5493 177.8458 48 I 3.6152 7.7946 119.3757 64.5408 37.0029 178.0475 49 A 4.0363 8.2854 121.5998 55.5336 18.2077 179.7643 50 Q 4.1339 8.2050 116.3679 58.8740 28.6297 179.0318 51 L 3.9149 8.0067 120.1528 57.8945 41.7730 179.3509 52 L 4.0083 8.0242 118.8456 57.7917 41.4678 179.4725 53 F 4.3006 8.3512 120.3566 61.5120 39.4310 177.1651 54 L 3.5989 7.9769 118.5031 57.6541 41.1374 179.1880 55 E 3.8516 8.2215 118.7970 59.1759 29.5989 178.5461 56 S 4.1795 7.7300 112.3399 61.3080 62.5428 175.7275 57 E 4.0931 7.7769 120.4845 57.8530 29.3231 177.2559 58 D 4.4713 7.4446 118.0111 52.5594 43.9239 172.8759 59 P 4.5907 0.0000 0.0000 63.3407 32.0182 175.9635 60 D 4.6962 8.3651 118.6350 54.8525 42.6710 176.6180 61 K 4.2708 7.8822 119.8065 55.5781 32.9113 176.6226 62 D 4.6201 8.7172 126.2721 54.9330 41.7088 175.7301 63 I 4.5074 8.3664 121.4862 59.6849 41.0306 174.0861 64 Y 4.7729 9.1745 123.8002 56.2608 40.4109 174.5355 65 F 5.5680 9.2452 127.9683 56.7114 41.4973 173.2926 66 Y 4.8511 9.0066 125.1268 57.3161 39.5692 174.8736 67 I 4.6703 9.0034 124.8345 59.6163 40.5923 174.1757 68 N 5.2161 9.3951 126.1880 51.8952 40.8904 172.2314 69 S 5.0897 9.2543 119.6510 56.1497 66.3431 172.4634 70 P 4.4835 0.0000 0.0000 62.9347 32.3322 177.5549 71 G 3.8283 7.7264 107.2329 45.9966 0.0000 173.7888 72 G 4.4700 8.5792 116.1498 46.9826 0.0000 174.0187 *74 V 4.1474 7.5217 120.6770 63.1082 33.2156 177.2664 75 T 3.8584 8.1239 107.6108 64.7556 68.5310 175.0101 76 A 4.1561 8.3334 125.2901 54.8714 18.6415 181.4891 77 G 3.6152 7.6535 104.2502 45.6311 0.0000 176.0956 *79 G 3.8613 8.3212 109.8304 45.2630 0.0000 176.3094 80 V 3.5600 7.4874 117.4826 65.5864 31.5390 177.0017 81 Y 4.2256 7.9513 118.1746 61.0533 38.9196 177.7143 82 D 4.6374 8.3080 119.1664 57.4401 41.0090 179.5388 83 T 4.3680 8.0798 115.8108 63.8139 68.2684 176.1889 *85 Q 4.1944 8.1028 121.0081 55.4563 30.8990 176.2280 86 F 4.5319 7.8542 118.9056 59.6641 40.1469 176.4052 87 I 3.8081 7.4355 112.4639 60.2203 38.0649 176.0185 88 K 3.9182 8.6893 123.6532 59.0053 32.1941 176.1365 89 P 4.3516 0.0000 0.0000 62.5684 32.0129 176.2450 90 D 4.3391 8.6662 123.3307 54.5538 42.2714 175.4747 91 V 4.4128 8.2607 123.2177 61.2940 33.0322 174.3244 92 S 4.9161 8.7017 124.4715 57.9832 63.8176 172.8990 93 T 5.1873 8.5215 115.6512 60.1097 72.1646 173.2349 94 I 5.0081 8.2484 123.5013 60.0473 41.5436 173.7413 95 C 4.9081 9.1549 129.3716 58.0265 32.5415 173.7205 96 I 4.6762 9.2473 121.5121 58.9461 35.7152 176.6458 97 G 4.7122 7.1941 119.6921 46.6662 0.0000 170.7425 98 L 5.2428 7.9635 119.4595 52.6089 46.8385 175.4065 99 A 5.0151 9.2143 126.7963 50.6361 21.2436 174.5770 100 A 4.6443 8.4453 121.9792 51.8231 22.1827 176.3597 101 S 3.4598 8.6012 116.1447 60.0627 62.9029 174.6040 *103 G 3.8872 7.8841 106.7852 45.5236 0.0000 175.0491 104 S 4.1244 7.7003 115.8122 60.7253 62.7319 176.2387 105 L 4.0121 7.8087 122.9167 57.7806 42.0394 178.4782 106 L 4.2820 7.8767 118.7285 57.5201 41.5639 178.7309 107 L 3.8448 7.9879 120.0909 58.3745 41.8304 179.1126 108 A 4.6125 7.7417 120.5890 53.9276 18.3049 178.7320 109 G 3.8666 7.4738 102.6457 43.9919 0.0000 173.7776 110 G 3.9746 7.2600 108.3812 45.3958 0.0000 173.5910 111 A 4.1991 9.0851 122.2255 51.8026 19.4060 177.3092 112 K 4.0690 8.5778 123.2239 58.0203 32.4040 177.3805 113 G 4.0200 9.4699 115.1527 45.3796 0.0000 173.4093 114 K 4.4674 7.9117 119.4892 56.1005 33.7978 175.7127 115 R 4.8563 8.1281 120.0189 54.9478 31.9057 175.4943 116 Y 5.3655 9.3150 121.6813 56.3126 42.0865 174.7576 117 S 5.0664 8.8089 114.6809 56.5970 66.0632 173.6059 118 L 4.9356 8.6882 125.9127 53.6399 42.3228 176.6477 119 P 4.2896 0.0000 0.0000 65.3090 31.4149 177.8326 120 S 4.6350 7.8741 111.4358 58.3077 63.3178 174.3779 121 S 4.6159 7.5713 116.7643 58.8966 63.5734 173.5715 122 Q 4.7557 8.9425 121.6709 54.4536 30.9122 175.0561 123 I 5.6390 8.4850 123.1807 58.3932 41.0978 174.5603 *125 I 3.9123 8.0242 115.5966 61.5516 39.0786 174.1197 126 H 4.9286 8.0287 117.6155 55.0916 30.7096 173.1033 127 Q 4.4306 8.6972 117.6718 54.9237 29.3126 174.5512 128 P 4.4642 0.0000 0.0000 62.7249 32.1189 175.5785 129 L 4.9286 7.7297 118.6814 53.3360 45.6877 175.9512 130 G 3.8858 8.1239 114.0722 45.8629 0.0000 175.5853 131 G 4.0851 9.2291 113.7134 44.6975 0.0000 172.3294 132 F 5.1399 8.5948 124.3492 56.2750 41.8794 174.5293 133 R 4.3891 8.1141 122.0977 52.7187 32.7886 177.1994 134 G 3.6585 7.8412 108.2030 45.3670 0.0000 172.3654 135 Q 4.1208 8.0679 119.7325 55.5272 30.7777 176.6483 136 A 4.0048 8.6727 125.4032 55.7416 18.4536 180.1475 137 S 4.1000 8.2106 112.8312 62.2787 62.9475 176.8474 138 D 4.4787 8.1330 120.6411 57.3336 40.7146 178.6606 139 I 3.8754 8.2946 120.8565 64.4264 37.0306 178.0569 140 E 3.9914 8.7346 120.5194 59.2262 29.4765 178.8903 141 I 3.6845 7.7137 119.5588 64.9693 37.2666 178.2865 142 H 4.1625 8.5193 116.6343 58.3547 28.4370 177.7299 143 A 4.0047 8.5864 123.2236 55.2801 18.4238 179.6683 144 K 3.8632 8.2802 117.0640 59.7495 32.1038 179.1394 145 N 4.2916 8.2132 117.1943 56.6750 38.8596 176.8452 146 I 3.7538 7.9672 119.9205 63.7285 38.0397 177.8663 147 L 4.0145 8.1046 120.2477 57.4397 41.3603 179.6053 148 R 3.8383 7.8872 117.7285 59.3745 30.0435 178.7536 149 I 3.6524 7.7745 119.6159 64.4430 37.0917 178.0913 150 K 3.8264 8.0830 120.0970 59.6400 31.9755 177.9870 151 D 4.3104 7.9567 118.0460 57.4501 41.0993 178.2287 152 R 3.8338 8.3580 119.2963 59.6082 30.0021 178.4718 153 L 3.9253 8.0641 118.7173 57.7220 41.4885 179.0563 154 N 4.2964 8.3007 116.5322 56.5246 38.5409 177.5699 155 K 3.9687 8.2909 119.8147 59.2032 32.1102 179.5694 156 V 3.5748 7.7733 118.5466 66.0255 31.3903 177.8614 157 L 4.0178 8.1197 118.5912 57.8772 41.5387 179.3788 158 A 3.9490 8.2124 120.5897 55.4403 18.1092 178.8323 159 H 4.0180 8.4335 115.5461 60.1843 30.0154 176.8787 160 H 4.3382 8.2294 116.1586 58.2757 28.6989 177.2942 161 T 4.6413 7.6449 112.2521 61.3120 69.0429 176.0630 162 G 3.7996 7.9076 108.7460 45.5583 0.0000 173.3766 163 Q 4.1197 7.5306 120.1597 55.0404 30.0986 175.9546 164 D 4.5357 8.2328 122.3288 53.6754 42.9292 177.2668 165 L 3.9273 8.5078 124.7214 58.6306 42.0619 179.1538 166 E 4.0137 8.2779 117.7530 59.8796 29.2939 179.5125 167 T 3.8752 7.8053 114.8905 66.7237 68.6673 176.4338 168 I 3.7940 7.6291 121.5258 64.4765 36.9343 178.4844 169 V 3.5551 7.9964 117.8643 66.0093 31.6799 177.4122 170 K 4.0205 8.1857 119.2725 59.7689 31.8384 177.8353 171 D 4.6127 8.2705 116.4376 55.3640 41.2854 176.9935 172 T 4.5011 7.4469 108.7329 61.1180 69.3552 175.5666 173 D 4.3488 7.7634 122.7882 57.0029 41.3384 176.2276 174 R 4.7673 7.4451 114.8098 53.6074 34.1754 174.2475 175 D 4.4130 8.7118 119.0463 55.1490 41.3774 175.7047 176 N 4.9187 8.4853 121.8314 51.9336 40.7730 173.5214 177 F 4.7463 8.8739 124.2318 56.0617 41.5484 175.7302 *180 A 4.4343 8.5165 123.5107 52.3640 20.5306 179.0762 181 D 4.4300 7.9767 115.4521 56.6506 39.4231 178.4933 182 E 4.0166 8.1693 119.3807 59.0941 29.5735 178.8912 183 A 4.0534 7.9640 120.4693 54.9975 18.3657 179.4603 184 K 4.2366 8.3645 119.1946 59.0210 32.0459 179.0285 185 A 4.0235 7.7597 119.9495 55.0082 18.3896 178.5318 186 Y 4.1396 8.0215 117.0107 58.8728 39.3405 176.3882 187 G 4.0148 7.8437 108.0936 45.2738 0.0000 175.2534 188 L 4.1636 8.4307 121.1877 56.5315 41.9987 176.7807 189 I 4.8380 7.3597 110.2140 59.1099 40.7556 175.1238 190 D 4.4114 8.4348 120.2734 56.1928 42.0003 177.2322 191 H 4.8666 7.5508 114.8512 54.2008 33.3678 172.8627 192 V 4.4564 8.5474 123.6003 62.3489 32.4946 174.7351 193 I 4.5752 9.0735 128.3946 59.4602 39.9383 175.1802 194 E 4.4683 9.0831 129.0509 56.5261 31.6633 175.5853 195 S 4.6220 7.5536 112.1293 56.5559 65.4920 174.5842 196 R 4.0180 8.6506 127.4813 59.3732 30.2211 177.5445 197 E 4.0303 8.1558 116.3445 59.0077 29.8134 176.5229 198 A 4.1726 7.5114 124.0116 52.3622 18.3834 176.8910 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 7 V 8.05 4.18 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 0.96 0.00 0.00 1.01 0.00 0.00 8 P 0.00 4.39 0.00 2.10 1.93 0.00 3.44 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 2.04 2.14 0.00 9 T 9.16 5.05 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 1.27 0.00 0.00 10 V 9.08 4.04 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 0.69 0.00 0.00 1.00 0.00 0.00 *21 F 7.75 4.60 0.00 3.15 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 22 D 8.53 5.08 0.00 2.95 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 23 I 8.13 3.56 1.69 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 1.21 0.91 0.26 0.00 0.00 24 Y 7.63 4.29 0.00 3.32 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 25 S 8.41 4.27 0.00 4.28 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 26 R 8.04 3.60 0.00 1.82 2.10 0.00 2.93 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 27 L 8.09 4.08 0.00 2.09 1.86 1.11 0.35 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 28 L 8.24 4.32 0.00 2.06 1.99 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.90 4.26 0.00 1.89 1.79 0.00 1.45 0.00 0.00 1.51 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.08 7.81 30 E 8.06 4.57 0.00 2.09 1.88 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 2.19 2.20 0.00 31 R 8.34 3.88 0.00 2.19 2.10 0.00 3.11 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 32 I 7.21 4.97 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.40 0.84 0.00 0.00 33 V 9.21 4.71 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 1.00 0.00 0.00 0.93 0.00 0.00 34 F 9.20 5.45 0.00 3.01 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 35 L 9.27 4.87 0.00 2.22 1.59 1.05 0.77 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 36 N 8.87 5.18 0.00 2.79 2.65 0.00 0.00 7.48 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 37 G 9.09 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 38 E 8.40 4.22 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 39 V 9.02 4.12 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 0.95 0.00 0.00 0.99 0.00 0.00 40 N 8.94 5.10 0.00 2.81 2.91 0.00 0.00 6.60 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 41 D 8.92 4.34 0.00 2.73 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 42 H 8.21 4.12 0.00 3.19 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.11 4.17 0.00 4.14 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 44 A 8.29 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.30 4.23 0.00 3.04 2.79 0.00 0.00 7.23 6.17 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 46 L 7.76 3.90 0.00 1.92 1.71 0.87 0.69 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 47 V 7.42 3.49 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 0.61 0.00 0.00 1.10 0.00 0.00 48 I 7.79 3.62 2.00 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 1.44 0.80 0.91 0.00 0.00 49 A 8.29 4.04 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 50 Q 8.21 4.13 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 51 L 8.01 3.91 0.00 1.80 1.66 0.73 0.25 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 52 L 8.02 4.01 0.00 1.91 1.80 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.35 4.30 0.00 3.18 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 54 L 7.98 3.60 0.00 1.83 1.61 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.22 3.85 0.00 1.88 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 2.26 2.23 0.00 56 S 7.73 4.18 0.00 4.02 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 E 7.78 4.09 0.00 1.73 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 1.47 1.70 0.00 58 D 7.44 4.47 0.00 2.53 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 0.00 0.00 0.00 0.00 59 P 0.00 4.59 0.00 2.15 2.07 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 60 D 8.37 4.70 0.00 2.75 2.70 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 61 K 7.88 4.27 0.00 1.74 1.67 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 62 D 8.72 4.62 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 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108 A 7.74 4.61 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 0.00 109 G 7.47 3.87 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 0.00 0.00 0.00 110 G 7.26 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 0.00 0.00 0.00 111 A 9.09 4.20 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 0.00 112 K 8.58 4.07 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 113 G 9.47 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 0.00 114 K 7.91 4.47 0.00 1.68 1.88 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.53 7.81 115 R 8.13 4.86 0.00 1.77 1.78 0.00 3.15 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 116 Y 9.32 5.37 0.00 2.76 2.83 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142 H 8.52 4.16 0.00 3.24 3.35 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.59 4.00 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 0.00 144 K 8.28 3.86 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.72 7.81 145 N 8.21 4.29 0.00 2.70 2.74 0.00 0.00 6.87 7.37 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 0.00 146 I 7.97 3.75 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 1.02 0.00 0.00 147 L 8.10 4.01 0.00 1.87 1.69 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.89 3.84 0.00 2.03 1.95 0.00 3.13 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 1.63 1.87 0.00 149 I 7.77 3.65 1.99 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 1.38 0.66 0.89 0.00 0.00 150 K 8.08 3.83 0.00 1.91 2.01 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 151 D 7.96 4.31 0.00 2.84 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 0.00 152 R 8.36 3.83 0.00 1.90 2.05 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 153 L 8.06 3.93 0.00 1.70 1.65 0.89 0.52 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 0.00 154 N 8.30 4.30 0.00 2.94 2.88 0.00 0.00 7.03 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 0.00 155 K 8.29 3.97 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.45 1.57 7.81 156 V 7.77 3.57 2.12 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 0.86 0.00 0.00 0.75 0.00 0.00 157 L 8.12 4.02 0.00 1.91 1.78 0.95 1.08 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 0.00 158 A 8.21 3.95 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 0.00 159 H 8.43 4.02 0.00 3.12 3.59 0.00 5.95 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 0.00 160 H 8.23 4.34 0.00 3.24 3.48 0.00 5.70 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 0.00 161 T 7.64 4.64 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 1.34 0.00 0.00 162 G 7.91 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 0.00 163 Q 7.53 4.12 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.82 0.00 0.00 0.00 0.00 0.00 1.94 2.18 0.00 164 D 8.23 4.54 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.51 3.93 0.00 1.75 1.67 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.28 4.01 0.00 2.05 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 2.40 2.42 0.00 167 T 7.81 3.88 4.37 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 1.28 0.00 0.00 168 I 7.63 3.79 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 1.01 0.00 0.00 169 V 8.00 3.56 2.24 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 0.80 0.00 0.00 1.02 0.00 0.00 170 K 8.19 4.02 0.00 1.88 2.06 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 171 D 8.27 4.61 0.00 2.85 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 0.00 172 T 7.45 4.50 4.13 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 1.23 0.00 0.00 173 D 7.76 4.35 0.00 2.78 2.75 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 0.00 0.00 0.00 174 R 7.45 4.77 0.00 1.79 1.79 0.00 3.29 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 175 D 8.71 4.41 0.00 2.69 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 0.00 176 N 8.49 4.92 0.00 2.74 2.50 0.00 0.00 7.12 7.17 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 0.00 177 F 8.87 4.75 0.00 2.91 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 *180 A 8.52 4.43 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 0.00 181 D 7.98 4.43 0.00 2.90 2.96 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 0.00 0.00 0.00 182 E 8.17 4.02 0.00 2.04 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 2.42 2.39 0.00 183 A 7.96 4.05 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 0.00 184 K 8.36 4.24 0.00 1.87 2.05 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.27 7.81 185 A 7.76 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 8.02 4.14 0.00 3.09 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 0.00 187 G 7.84 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 0.00 188 L 8.43 4.16 0.00 1.91 1.76 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.36 4.84 2.00 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 1.42 0.93 0.91 0.00 0.00 190 D 8.43 4.41 0.00 2.24 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 H 7.55 4.87 0.00 2.98 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.55 4.46 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 0.79 0.00 0.00 0.95 0.00 0.00 193 I 9.07 4.58 2.08 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 1.22 1.56 0.93 0.00 0.00 194 E 9.08 4.47 0.00 1.95 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 2.21 2.33 0.00 195 S 7.55 4.62 0.00 3.85 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 0.00 196 R 8.65 4.02 0.00 1.79 1.92 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 197 E 8.16 4.03 0.00 2.00 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 2.31 2.30 0.00 198 A 7.51 4.17 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.