NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3745 8.1749 112.9212 60.5776 70.2468 172.9276 3 R 4.3172 8.2902 123.1594 54.3738 31.5705 175.1076 4 Q 4.6460 9.2041 121.9478 56.1107 31.6493 174.6587 5 R 5.4457 9.8313 119.3281 54.7007 34.1462 174.8339 6 I 5.1340 9.0952 123.5127 59.5751 40.2542 174.2956 7 A 5.1331 9.2218 129.7783 50.7718 20.8962 175.8112 8 I 4.8161 8.5692 122.7767 59.5846 40.4147 175.9251 9 D 4.9313 8.3478 127.5626 53.2469 43.8811 173.8536 *11 D 4.4945 8.4196 115.5068 55.8084 41.8021 175.0861 12 E 3.8987 8.9787 122.3283 57.0849 26.9175 174.8474 13 V 3.3804 7.0012 116.0121 63.7486 33.8986 176.3757 14 L 4.2912 7.8680 120.7763 56.0272 42.4348 177.4545 15 A 4.9119 7.5675 120.9551 50.1008 21.4711 175.6107 16 D 5.1196 8.8449 123.9099 53.7700 37.8350 177.1510 17 T 3.9756 7.6519 120.6400 66.2412 69.0260 175.9445 18 L 4.1343 7.9986 122.0968 57.8807 42.2455 178.7948 19 G 3.7866 8.7438 106.9384 47.1670 0.0000 175.4979 20 A 4.0332 7.8106 123.1976 54.9362 18.3501 179.9839 21 V 3.5837 7.8547 116.4850 65.9775 31.6068 178.4654 22 V 3.5639 8.1123 118.3464 65.7925 31.4258 177.8028 23 K 3.8764 8.1064 119.1698 59.4684 31.9386 178.5649 24 A 3.9675 8.0149 120.8575 55.2128 18.3824 179.5824 25 V 3.5036 8.0417 117.1186 66.2770 31.6367 177.8430 26 N 4.4029 8.6057 116.3505 56.4328 38.2090 177.1480 27 E 3.9639 7.9546 118.2428 59.5495 29.7453 179.5578 28 R 4.0814 8.2480 117.8305 59.1388 30.0609 178.1640 29 A 4.5009 7.8209 117.3152 51.1745 18.6260 176.5726 30 D 4.3746 7.4149 115.4468 56.0009 39.1306 174.0923 31 L 4.5265 7.4385 118.2020 53.8600 43.6826 176.0090 32 N 5.0351 8.0811 115.4871 52.2598 38.8357 174.6911 33 I 3.7436 7.9827 121.0103 62.7009 39.0081 177.7196 34 K 4.5306 8.4266 129.4548 54.7150 32.2702 175.7409 *36 E 4.4492 8.6426 110.7797 57.5470 31.8419 173.8472 37 S 4.4709 7.8534 111.3677 60.4654 63.3364 174.7748 38 L 4.5046 7.6322 119.3334 54.1232 42.0426 175.7700 39 N 4.4444 7.9666 117.5194 54.9016 38.5909 175.4176 40 G 4.0151 9.0494 111.9741 45.3287 0.0000 173.0578 41 K 4.7360 8.0977 118.3035 54.5818 35.0351 176.1911 42 K 4.2384 8.6873 121.3196 55.9354 33.3819 175.7684 43 L 3.5325 7.7619 123.4081 53.3102 40.2408 180.2171 *52 G 3.9996 8.4312 106.7556 45.5048 0.0000 173.9902 53 L 4.1603 7.6518 118.9794 57.1802 41.2402 178.8253 54 V 3.8758 7.4975 118.5479 63.6248 31.1481 177.0940 *56 D 4.5171 8.2535 119.6060 53.9699 42.7687 177.9317 57 I 3.6442 7.8506 119.8218 64.5005 36.8114 178.6108 58 L 2.9086 7.6210 120.6130 57.1531 41.4379 179.3247 59 K 4.4533 7.1348 119.6147 55.5961 32.5463 180.2029 60 E 4.3355 7.4795 120.2290 56.2461 29.9794 174.8395 61 P 4.7025 0.0000 0.0000 63.6769 32.1502 176.6280 62 G 4.0443 9.7488 111.9279 45.3484 0.0000 175.2971 63 F 3.9583 8.3304 122.2931 61.4344 39.2639 177.3347 64 F 3.8401 7.9238 116.4245 59.5695 39.0127 176.7438 65 R 4.2152 7.7410 120.2923 58.6397 29.9559 176.6186 66 N 4.9035 7.5204 113.1022 52.7996 38.8692 174.9996 67 L 4.1000 7.4645 118.7761 54.6095 42.4390 176.8118 68 D 4.5187 8.5944 122.0968 53.5412 42.0262 176.3866 69 V 4.9795 7.9811 128.7977 62.4407 33.2572 175.1837 *71 P 4.0484 0.0000 0.0000 63.5298 32.3272 176.6245 72 H 4.1335 8.8162 117.1881 56.5457 26.9011 176.5428 73 A 2.9999 7.4776 122.7512 54.8728 17.9958 180.1097 74 Q 3.7355 7.7638 116.0973 58.9071 28.8285 178.4639 75 E 3.8058 7.9477 119.7982 59.3426 29.7677 178.9054 76 V 3.8426 7.9479 118.3858 65.8944 31.5442 178.1785 77 V 3.6036 7.8849 118.2457 65.7528 31.1500 177.8611 78 K 3.2419 7.7451 118.4067 59.3855 32.1704 178.4848 79 Q 4.5196 7.9894 119.5256 58.5315 28.5921 178.6642 80 L 4.0984 8.3031 120.3958 57.8733 41.4446 179.0359 81 N 5.0113 8.2719 117.2798 55.7965 38.9546 176.3608 82 E 4.0451 8.2286 120.1268 58.8921 29.2155 177.9702 83 H 4.7339 8.1766 113.1837 55.4409 31.6734 173.2853 84 Y 5.0509 8.3139 116.7071 55.8355 41.7012 175.0623 85 D 4.8569 9.2143 123.0335 54.5105 42.3770 175.2815 86 I 5.0129 8.4055 123.1023 59.8884 39.3840 174.5003 87 Y 4.9616 9.3160 124.8232 56.2338 41.5077 174.6324 88 I 4.8391 8.7768 122.9276 59.4803 40.0287 174.4182 89 A 5.1098 8.7732 128.7631 50.4315 21.8487 174.8347 90 T 4.6473 8.4699 114.9793 60.8119 71.3413 172.5369 91 A 4.9147 8.4513 127.4542 51.4726 20.4529 177.6028 92 A 4.0798 8.4390 125.0441 52.4427 20.8113 177.9824 *95 V 4.1037 8.0106 120.6729 61.2978 32.6478 170.4306 96 P 4.4907 0.0000 0.0000 65.2408 31.9890 178.5369 97 T 4.5249 7.8190 106.4291 61.8634 69.2148 176.4567 98 S 4.2855 7.9892 118.3183 61.5372 63.1306 175.7763 99 F 4.1723 8.2957 123.8326 61.4655 39.1468 176.4087 100 H 3.4542 8.2563 117.0586 59.1580 29.6856 176.7021 101 D 4.2281 8.0708 120.5644 57.2920 40.6980 178.9762 102 K 3.9483 8.3390 119.5663 59.5914 31.9972 179.0598 103 Y 4.2416 7.8114 118.0824 60.1579 37.9896 177.9855 104 E 3.8694 7.6304 120.4910 58.7217 29.4072 179.0636 105 W 4.1815 8.4228 128.5147 60.5563 30.7188 178.0523 106 L 4.1532 8.3779 118.9357 57.8969 40.8011 179.5205 107 L 4.0929 8.1244 118.1706 57.5738 41.5823 179.0253 108 E 3.7533 7.9424 118.4718 59.2659 29.6865 177.8315 109 Y 4.0781 7.4578 114.4255 58.1020 39.7521 175.9299 110 F 4.3780 8.1529 118.4459 55.5646 39.1582 174.5873 111 P 4.3609 0.0000 0.0000 64.7333 31.9041 178.0335 112 F 4.4205 7.4129 113.0308 58.3149 38.4052 175.6663 113 L 4.2359 6.8851 121.6386 54.1230 42.4067 175.5446 114 D 4.4769 8.1266 120.7996 52.2471 42.0669 175.7430 115 P 2.0000 0.0000 0.0000 64.3895 31.4355 178.1098 116 Q 4.0765 8.0659 116.4498 58.0629 28.8430 176.3043 117 H 4.9096 8.0054 115.3182 55.4881 30.0614 173.9425 118 F 5.2459 7.8244 118.7585 56.7526 39.9231 175.3703 119 V 4.3781 8.9749 124.2869 61.1468 33.9732 174.2115 120 F 5.8062 9.3677 127.4054 55.5977 39.7816 174.6451 121 C 4.7551 8.4953 117.5831 56.9864 32.4389 174.2586 122 G 3.8201 8.8121 107.8404 46.7991 0.0000 174.6004 123 R 4.7231 7.6953 118.8933 54.2352 32.8528 176.0066 124 K 4.3859 9.2242 121.7848 56.5071 32.2031 178.2745 125 N 4.5468 8.1040 117.0804 54.8884 37.1766 175.4880 126 I 3.9755 7.1833 117.8863 61.9237 38.4503 175.2169 127 I 4.0352 7.5279 121.4384 60.7084 37.5649 175.3722 128 L 4.2555 8.3464 127.8804 53.9342 41.4536 175.0406 129 A 4.8005 7.9278 127.4387 50.5628 22.4479 176.4622 130 D 4.5478 8.8214 119.4987 57.2148 42.1118 176.4684 131 Y 5.6009 8.1521 114.1507 56.2742 43.0595 174.0302 132 L 4.9199 9.0995 124.3668 53.2686 45.3672 175.0143 133 I 4.8382 8.7205 127.8712 60.0079 38.5966 174.2596 134 D 5.0210 8.4994 126.3169 52.8348 44.0596 174.9815 135 D 4.6761 8.8007 121.8610 53.6464 40.5119 176.1982 136 N 4.7695 8.6544 120.3950 51.5996 39.8529 173.4197 137 P 4.2473 0.0000 0.0000 65.7098 30.3924 178.4740 138 K 4.0671 8.2917 118.6252 59.3696 31.9563 179.2649 139 Q 4.1968 7.9219 117.9859 58.8583 28.6053 178.3136 140 L 3.7833 7.4748 119.2275 57.5291 41.5369 178.6174 141 E 4.3741 8.1299 116.3914 58.4985 29.7872 177.6904 142 I 4.1920 7.0126 111.6834 60.9987 38.6617 175.9516 143 F 4.3865 7.9294 124.1361 58.5954 39.5100 174.5907 144 E 4.1056 7.8276 125.7812 56.6795 30.2875 176.8725 145 G 3.6252 5.3800 107.1305 43.5745 0.0000 172.0072 146 K 4.2501 8.5634 122.5143 56.2535 33.1747 177.4232 147 S 4.7652 8.8872 124.3317 58.2443 63.8981 173.5710 148 I 4.5524 8.4712 128.2799 59.6750 40.9528 173.5155 *150 F 4.5817 8.4731 124.6079 58.9378 40.6277 175.8960 151 T 4.1865 7.8123 123.3298 63.9030 68.8934 173.6237 152 A 4.6713 9.1301 126.3902 50.2822 23.0202 177.0335 153 S 4.0065 9.0560 115.9935 62.0748 63.0213 177.2693 154 H 4.6091 8.1980 113.7985 57.6726 28.5831 175.5232 155 N 4.7592 7.7785 116.2054 52.3958 37.3889 176.9444 156 V 3.4650 7.3436 112.7479 64.0855 31.6281 176.2591 157 Y 4.6324 7.2472 115.3072 57.4901 38.2333 174.8587 158 E 4.2721 7.9470 122.2357 55.9790 28.9074 175.7598 159 H 5.0106 8.4398 119.9736 55.3558 30.8630 175.6271 160 R 3.9225 8.4703 119.1174 57.8189 30.0003 176.7751 161 F 4.9431 6.8566 114.5760 54.7435 41.3878 174.8978 162 E 3.7819 8.8697 123.7070 57.1978 29.5925 176.0126 163 R 4.5853 8.4430 126.1291 54.7026 32.0168 175.3388 164 V 4.4351 8.1097 118.5168 59.7412 35.1335 174.8530 165 S 4.3581 9.4014 122.2003 57.4596 63.2057 174.8525 166 G 3.9143 7.2132 109.7770 44.7326 0.0000 172.4807 167 W 4.2680 8.8543 118.6906 59.6873 29.0987 179.2251 168 R 4.0671 8.2342 117.6074 58.9923 29.5107 178.3399 169 D 4.3711 8.1016 117.8558 56.9870 41.2876 178.1854 170 V 3.6488 7.6681 118.6839 65.8930 31.5063 177.9098 171 K 4.1669 8.5537 119.5733 59.6578 32.1874 178.2487 172 N 4.3491 8.4486 117.3773 56.6268 38.6065 176.1377 173 Y 3.8597 8.2432 120.5614 60.8765 38.7724 178.0269 174 F 3.9724 8.2751 118.5365 60.3620 39.0835 177.3473 175 N 4.3909 8.7161 116.9980 56.4615 38.1249 177.4861 176 S 4.1848 7.7050 114.3574 60.5669 63.3054 175.6106 177 I 4.0810 7.0483 116.3799 61.9767 37.8992 176.2050 178 E 4.2390 7.7337 121.6806 56.2411 29.6732 181.4722 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 2 T 8.17 4.37 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 3 R 8.29 4.32 0.00 1.93 1.93 0.00 3.18 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 4 Q 9.20 4.65 0.00 2.22 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 5 R 9.83 5.45 0.00 1.84 1.96 0.00 3.15 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 6 I 9.10 5.13 1.84 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.69 0.92 0.00 0.00 7 A 9.22 5.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.57 4.82 1.85 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 1.24 0.89 1.07 0.00 0.00 9 D 8.35 4.93 0.00 2.81 2.54 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 *11 D 8.42 4.49 0.00 2.72 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 12 E 8.98 3.90 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 13 V 7.00 3.38 2.07 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 0.57 0.00 0.00 0.81 0.00 0.00 14 L 7.87 4.29 0.00 1.44 1.80 0.54 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.57 4.91 0.53 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 16 D 8.84 5.12 0.00 2.85 2.61 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 17 T 7.65 3.98 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 1.44 0.00 0.00 18 L 8.00 4.13 0.00 1.80 1.70 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.74 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 20 A 7.81 4.03 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 21 V 7.85 3.58 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 0.91 0.00 0.00 22 V 8.11 3.56 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 0.89 0.00 0.00 0.97 0.00 0.00 23 K 8.11 3.88 0.00 2.02 1.98 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 A 8.01 3.97 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 25 V 8.04 3.50 2.26 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 1.01 0.00 0.00 0.91 0.00 0.00 26 N 8.61 4.40 0.00 2.90 2.91 0.00 0.00 7.07 7.67 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 27 E 7.95 3.96 0.00 2.20 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 2.35 2.36 0.00 28 R 8.25 4.08 0.00 1.83 1.96 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 29 A 7.82 4.50 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 30 D 7.41 4.37 0.00 2.85 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 31 L 7.44 4.53 0.00 1.66 1.62 0.92 0.75 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 32 N 8.08 5.04 0.00 2.61 2.69 0.00 0.00 6.91 7.94 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 33 I 7.98 3.74 1.98 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 1.16 0.65 0.92 0.00 0.00 34 K 8.43 4.53 0.00 1.66 1.58 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 0.97 7.81 *36 E 8.64 4.45 0.00 2.01 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 2.13 1.91 0.00 37 S 7.85 4.47 0.00 4.08 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 38 L 7.63 4.50 0.00 1.70 1.68 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.97 4.44 0.00 2.73 2.69 0.00 0.00 7.08 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 40 G 9.05 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 41 K 8.10 4.74 0.00 1.87 1.71 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.41 7.81 42 K 8.69 4.24 0.00 1.73 1.82 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.40 7.81 43 L 7.76 3.53 0.00 1.82 1.51 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 *52 G 8.43 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 53 L 7.65 4.16 0.00 1.81 1.90 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.50 3.88 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 0.90 0.00 0.00 0.89 0.00 0.00 *56 D 8.25 4.52 0.00 2.95 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 57 I 7.85 3.64 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.55 0.00 0.00 58 L 7.62 2.91 0.00 1.40 1.53 0.84 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.13 4.45 0.00 1.90 1.69 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.33 7.81 60 E 7.48 4.34 0.00 2.12 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 2.32 2.53 0.00 61 P 0.00 4.70 0.00 2.07 2.04 0.00 3.72 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 62 G 9.75 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.33 3.96 0.00 3.12 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 64 F 7.92 3.84 0.00 3.06 2.88 0.00 0.00 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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 0.00 0.00 0.90 0.00 0.00 91 A 8.45 4.91 1.23 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 92 A 8.44 4.08 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 *95 V 8.01 4.10 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 0.79 0.00 0.00 0.93 0.00 0.00 96 P 0.00 4.49 0.00 2.08 2.16 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 97 T 7.82 4.52 4.33 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 1.27 0.00 0.00 98 S 7.99 4.29 0.00 3.83 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 0.00 99 F 8.30 4.17 0.00 3.01 3.11 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 0.00 100 H 8.26 3.45 0.00 3.28 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 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0.00 2.95 2.70 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.82 5.25 0.00 3.03 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.97 4.38 2.07 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 1.02 0.00 0.00 1.07 0.00 0.00 120 F 9.37 5.81 0.00 3.00 3.10 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 0.00 121 C 8.50 4.76 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.81 3.82 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 0.00 0.00 0.00 123 R 7.70 4.72 0.00 1.85 2.00 0.00 3.13 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 124 K 9.22 4.39 0.00 1.88 1.80 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.33 7.81 125 N 8.10 4.55 0.00 2.84 3.06 0.00 0.00 6.08 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2.59 2.32 0.00 142 I 7.01 4.19 1.90 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 1.49 0.71 0.99 0.00 0.00 143 F 7.93 4.39 0.00 3.00 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 0.00 144 E 7.83 4.11 0.00 1.70 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 2.15 0.00 145 G 5.38 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 0.00 0.00 0.00 146 K 8.56 4.25 0.00 1.76 1.64 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.66 1.65 7.81 147 S 8.89 4.77 0.00 3.88 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 0.00 148 I 8.47 4.55 1.92 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.24 0.68 0.00 0.00 *150 F 8.47 4.58 0.00 3.00 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 0.00 151 T 7.81 4.19 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 152 A 9.13 4.67 1.22 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 0.00 153 S 9.06 4.01 0.00 3.89 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 0.00 154 H 8.20 4.61 0.00 3.23 3.59 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.78 4.76 0.00 2.92 2.90 0.00 0.00 6.83 6.97 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 0.00 156 V 7.34 3.46 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 0.63 0.00 0.00 0.07 0.00 0.00 157 Y 7.25 4.63 0.00 2.96 2.86 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 0.00 0.00 0.00 158 E 7.95 4.27 0.00 1.95 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 0.00 159 H 8.44 5.01 0.00 3.15 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.47 3.92 0.00 0.68 1.09 0.00 2.85 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 161 F 6.86 4.94 0.00 3.11 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 0.00 162 E 8.87 3.78 0.00 1.89 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 1.85 2.24 0.00 163 R 8.44 4.59 0.00 1.83 1.75 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 164 V 8.11 4.44 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 0.55 0.00 0.00 0.73 0.00 0.00 165 S 9.40 4.36 0.00 3.56 3.62 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 0.00 166 G 7.21 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 0.00 167 W 8.85 4.27 0.00 3.87 3.50 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 0.00 168 R 8.23 4.07 0.00 1.88 2.02 0.00 3.33 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 1.73 1.54 0.00 169 D 8.10 4.37 0.00 2.87 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 0.00 170 V 7.67 3.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.53 0.00 0.00 171 K 8.55 4.17 0.00 2.04 2.12 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.56 7.81 172 N 8.45 4.35 0.00 3.07 2.93 0.00 0.00 6.86 6.93 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 0.00 173 Y 8.24 3.86 0.00 2.86 2.97 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 0.00 174 F 8.28 3.97 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.72 4.39 0.00 2.97 2.89 0.00 0.00 6.73 6.61 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 0.00 176 S 7.70 4.18 0.00 3.97 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 0.00 177 I 7.05 4.08 1.85 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 1.29 0.68 0.53 0.00 0.00 178 E 7.73 4.24 0.00 2.04 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 2.23 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.