NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.6749 8.3244 115.8991 56.5435 39.2340 173.8522 6 N 4.2495 8.4333 119.1492 52.1425 37.9008 171.9138 7 E 3.6780 8.8874 126.5937 57.5271 31.0947 177.4039 8 E 4.3022 8.0736 118.0912 57.9135 30.5559 178.7491 9 L 3.7162 7.7710 119.4768 57.7475 41.6286 179.2623 10 A 3.9512 7.9746 120.0517 55.0069 18.1749 179.6713 11 V 3.5593 7.4709 116.4723 65.8464 31.7541 178.2178 12 I 2.9453 7.6383 119.9743 64.0515 36.7610 177.9796 13 E 3.6915 7.9913 119.8811 59.1653 29.3635 178.6625 14 A 3.8737 7.8820 120.5765 54.9716 18.3826 179.5056 15 A 3.8451 7.7333 118.8794 55.0854 18.4054 179.6340 16 A 3.1605 7.3670 118.7314 55.2315 18.2881 179.9531 17 I 3.1774 7.7218 118.2609 64.3109 37.1050 178.5917 18 A 3.9990 8.2852 122.0513 54.9545 18.0249 179.1765 19 Y 3.8922 7.7834 117.7509 60.9497 38.9584 178.0044 20 L 3.7631 8.0990 120.2800 58.0462 41.6810 179.7614 21 T 3.9853 8.2733 109.8896 64.5997 68.8502 176.7423 22 A 3.8691 7.8707 123.6503 54.6168 18.3325 179.2175 23 F 3.7337 8.5234 120.0220 61.5598 39.2375 177.0195 24 N 4.5637 8.0408 114.5873 56.0502 38.8308 176.0297 25 R 4.0952 7.7476 117.0689 55.3115 30.5241 175.8393 26 A 2.5800 7.4351 120.9798 52.4263 16.6972 178.1319 27 D 4.4498 7.3553 120.2839 54.5477 40.9154 175.8415 28 I 3.7196 7.8582 128.1861 63.6379 37.4188 176.1934 29 P 4.2555 0.0000 0.0000 65.5191 30.9742 178.3961 30 A 3.9879 8.1679 118.4422 55.0851 18.4406 179.5238 31 V 3.7295 7.9250 116.7720 66.4059 31.7222 178.3120 32 I 3.8807 8.2667 119.6650 64.4485 36.6870 178.2816 33 A 4.1697 8.0906 120.9203 54.8568 18.4964 178.6586 34 T 4.0429 7.9633 107.1217 63.5230 69.4405 174.1776 35 Y 4.8543 7.5629 119.7553 56.4212 39.0525 175.3547 36 T 4.2078 8.4314 113.0379 61.4630 69.7053 175.2796 37 D 4.4175 8.7545 121.5876 57.0866 40.9231 177.7702 38 D 4.9960 8.0101 116.3105 52.8859 39.9777 176.4053 39 G 4.0613 7.8639 107.4750 47.5607 0.0000 173.0408 40 V 4.9451 8.7160 122.5799 60.9002 34.5307 174.7092 41 L 5.3702 7.9343 129.6056 52.5315 45.0434 174.8566 *43 G 4.0622 8.2814 107.9095 44.2249 0.0000 170.3244 44 P 4.4355 0.0000 0.0000 63.5581 31.7359 177.5350 45 G 4.0214 9.7296 109.3237 45.6669 0.0000 173.4673 46 R 4.6478 7.2654 117.0923 53.5799 34.2789 173.4069 47 P 4.3955 0.0000 0.0000 61.8901 32.2154 175.7910 48 A 4.1778 8.4828 120.5788 52.9929 18.9550 176.7708 49 A 4.5399 8.8912 124.9704 50.7035 20.5522 176.1095 50 V 4.5312 9.1687 123.9318 63.0001 33.1236 176.6087 51 G 4.2483 9.4596 114.2429 45.4450 0.0000 174.2308 52 K 3.9564 8.5506 119.2857 59.1976 32.1024 179.3314 53 D 4.3640 8.0961 118.8015 57.5146 40.8604 178.3598 54 E 3.9386 8.1245 118.1629 59.4803 29.5705 179.0509 55 L 3.8333 8.1530 119.0507 57.9509 41.6408 179.5460 56 A 4.1281 8.2794 120.4173 55.2733 18.3594 179.1256 57 E 3.9162 8.0096 116.7855 59.8640 29.6403 180.0289 58 V 3.5153 7.7548 117.6327 66.3073 31.6109 177.7041 59 Y 4.1270 8.0236 116.4820 60.7869 37.5871 178.2194 60 L 4.0982 8.4175 121.6422 58.2872 42.1321 178.8335 61 S 4.0825 8.1739 113.0237 61.4439 62.2127 175.9790 62 V 3.6073 8.1662 121.0592 66.4865 31.0180 178.0589 63 F 4.8983 7.6762 116.6605 59.4705 38.8680 177.4061 64 E 4.1740 8.5533 118.3950 59.0954 29.3849 178.4868 65 T 4.3171 7.6872 115.2992 63.8196 69.4780 174.8021 66 V 4.7452 7.9877 119.8628 60.8757 35.5723 174.4995 67 G 4.2847 8.8987 114.2936 44.6095 0.0000 172.1405 68 F 5.5302 9.0348 123.4786 55.6975 41.4894 174.3739 69 D 4.9870 9.2092 123.0562 52.3538 43.7710 174.7102 *71 A 4.5813 8.4912 126.6564 52.0039 20.3369 174.5889 72 Y 5.3749 8.1236 117.0965 55.2430 41.3622 174.5660 73 E 4.7682 9.6576 120.8804 54.6794 33.2832 174.1095 74 I 4.5274 8.6728 127.5525 60.7272 37.7863 175.5036 75 K 4.5199 9.2905 127.4570 58.2479 33.3181 176.9451 76 E 4.7704 7.8129 115.2723 55.1317 32.9368 174.5269 77 V 4.5390 8.2091 120.7449 61.2215 34.2992 174.6287 78 V 4.1271 8.2859 128.1667 60.8711 34.4776 173.7486 79 Q 4.6272 8.5599 129.3261 55.2547 29.3085 175.0422 80 T 4.4207 8.8544 116.9500 62.9103 69.9018 174.1055 81 S 4.5882 7.8435 114.2852 57.0084 65.7407 174.0829 82 A 4.0763 8.9465 122.5530 55.4363 17.9972 178.3102 83 D 4.5219 8.2622 112.1448 53.6079 41.8918 175.4202 84 W 5.9713 8.3579 118.5218 55.3484 33.7093 174.0475 85 A 5.2697 9.4936 124.0715 50.9590 23.0035 174.7236 86 F 5.5752 9.1880 113.3963 55.3699 42.0878 174.0140 87 V 4.9525 9.0407 119.2042 61.2452 35.0794 173.9338 88 R 5.4467 9.1629 127.9438 54.7456 32.7336 174.6373 89 S 5.3859 9.4031 119.5404 56.8989 67.5591 172.2134 90 A 5.4031 9.3079 120.6454 50.6044 22.7847 175.2459 91 T 5.3785 9.0953 109.2322 60.3151 72.5755 172.6485 92 E 5.2273 9.0702 120.3998 54.1370 32.9225 177.1279 93 G 4.3416 7.7901 109.6479 46.9226 0.0000 172.8632 94 T 5.2435 8.8492 115.4899 59.6198 72.6787 172.3775 95 E 4.8897 9.5507 123.0770 54.8189 32.7623 174.2956 96 T 4.9985 8.9480 123.8991 61.7946 71.5256 173.1314 97 N 4.7889 8.8303 125.4254 52.6882 39.3259 175.9000 98 K 4.1807 8.9914 127.1459 59.5296 32.3347 178.8475 99 A 4.0872 8.3626 122.7008 55.2545 18.6519 178.6502 100 T 4.0097 9.0495 105.7528 62.3781 69.3711 176.3210 101 G 3.8844 8.7175 109.5092 44.8312 0.0000 173.2673 102 V 3.7805 7.6298 121.1326 62.6839 32.5513 174.7839 103 V 4.8408 8.3971 128.3076 61.7254 32.8516 174.8442 104 T 4.9371 9.0459 117.6487 58.9195 72.5181 171.5697 105 P 4.9997 0.0000 0.0000 63.2878 32.4175 175.3680 106 A 4.8861 9.0679 122.1816 50.6115 23.2471 174.9764 107 A 5.2661 8.4197 121.5477 50.6358 22.9237 174.6724 108 Y 5.2972 9.3119 118.4574 56.1802 43.1909 174.2997 109 Q 5.0449 9.1213 117.9758 54.6488 32.1865 174.0941 110 E 4.9486 9.4100 121.1871 54.3645 33.9223 174.2285 111 L 5.1550 8.4324 125.7392 53.3350 44.9957 174.7605 112 F 5.4533 9.7740 125.5182 55.9032 41.7200 174.5893 113 L 5.3380 9.3651 124.1041 53.3619 43.6857 175.3623 114 L 5.3189 9.2341 124.5266 52.8889 44.9815 175.5347 115 R 4.1695 8.7821 123.1922 53.8051 32.7780 174.4572 116 K 3.5903 7.5145 129.0181 55.5114 32.4999 177.0386 117 S 4.1845 8.7385 122.5920 57.3140 63.8818 175.0404 118 A 3.8283 8.3594 123.6108 54.8932 18.0963 178.4905 119 T 4.2553 7.5911 104.4696 61.4498 68.8424 175.8437 120 G 3.7419 8.2267 110.0020 45.3923 0.0000 173.3150 121 S 4.6902 7.4072 114.7101 56.3778 64.4698 172.6927 122 W 4.8475 8.7193 126.7467 56.0981 30.0511 175.6861 123 Q 4.7692 8.8739 122.5223 54.1729 33.2779 174.7049 124 T 4.5535 8.8375 119.0815 63.6229 69.0189 175.4850 125 A 4.2741 9.5741 129.8956 53.7821 20.0670 177.4054 126 R 5.2281 7.9983 112.6887 55.0244 35.3147 173.9380 127 Y 5.2001 9.1702 123.3198 56.2913 42.6526 173.0708 128 C 4.6678 8.4072 126.3113 57.5840 34.7442 172.3262 129 T 4.8664 8.0104 119.2736 60.1357 70.4393 172.3623 130 S 4.8070 8.8176 122.4048 56.2112 66.7079 172.9035 131 K 3.8814 8.4873 123.3691 56.1245 31.9380 176.5261 132 I 3.9084 8.3116 129.4236 63.6926 37.6645 176.6652 133 S 4.6436 7.5992 114.9247 55.3601 64.5640 171.6365 134 P 4.3819 0.0000 0.0000 63.0700 31.2095 176.0031 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 F 8.32 4.67 0.00 3.18 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 6 N 8.43 4.25 0.00 2.81 2.76 0.00 0.00 6.92 6.77 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 7 E 8.89 3.68 0.00 1.73 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 1.47 1.70 0.00 8 E 8.07 4.30 0.00 2.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 9 L 7.77 3.72 0.00 1.63 1.63 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.97 3.95 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 11 V 7.47 3.56 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 1.23 0.00 0.00 1.00 0.00 0.00 12 I 7.64 2.95 1.50 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.41 0.00 0.00 13 E 7.99 3.69 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 14 A 7.88 3.87 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 15 A 7.73 3.85 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 16 A 7.37 3.16 0.46 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 17 I 7.72 3.18 1.87 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 1.12 0.66 0.85 0.00 0.00 18 A 8.29 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.78 3.89 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.10 3.76 0.00 1.44 1.58 0.70 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.27 3.99 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 1.34 0.00 0.00 22 A 7.87 3.87 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 23 F 8.52 3.73 0.00 2.29 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 24 N 8.04 4.56 0.00 3.00 2.91 0.00 0.00 7.34 7.77 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 25 R 7.75 4.10 0.00 1.71 1.84 0.00 3.32 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 26 A 7.44 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.36 4.45 0.00 2.61 2.58 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 0.00 28 I 7.86 3.72 1.91 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 1.98 0.42 1.04 0.00 0.00 29 P 0.00 4.26 0.00 2.14 2.10 0.00 3.77 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 2.10 2.16 0.00 30 A 8.17 3.99 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 31 V 7.92 3.73 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 0.52 0.00 0.00 0.80 0.00 0.00 32 I 8.27 3.88 2.05 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 1.72 1.10 0.97 0.00 0.00 33 A 8.09 4.17 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 4.04 4.19 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 1.34 0.00 0.00 35 Y 7.56 4.85 0.00 3.22 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 36 T 8.43 4.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 37 D 8.75 4.42 0.00 2.75 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 38 D 8.01 5.00 0.00 2.82 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 39 G 7.86 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 40 V 8.72 4.95 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 0.99 0.00 0.00 1.02 0.00 0.00 41 L 7.93 5.37 0.00 1.79 1.40 1.10 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 8.28 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 44 P 0.00 4.44 0.00 2.14 2.03 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 45 G 9.73 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 46 R 7.27 4.65 0.00 1.56 1.74 0.00 3.10 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 47 P 0.00 4.40 0.00 2.16 2.03 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 48 A 8.48 4.18 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.89 4.54 1.15 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 50 V 9.17 4.53 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 0.80 0.00 0.00 0.93 0.00 0.00 51 G 9.46 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 0.00 0.00 0.00 0.00 52 K 8.55 3.96 0.00 1.83 1.90 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.35 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.68 7.81 53 D 8.10 4.36 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.94 0.00 2.11 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 2.39 2.40 0.00 55 L 8.15 3.83 0.00 1.80 1.74 0.72 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.28 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.92 0.00 2.27 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 2.35 2.54 0.00 58 V 7.75 3.52 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.84 0.00 0.00 59 Y 8.02 4.13 0.00 3.25 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 60 L 8.42 4.10 0.00 1.99 1.89 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.17 4.08 0.00 4.00 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 62 V 8.17 3.61 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 1.01 0.00 0.00 0.89 0.00 0.00 63 F 7.68 4.90 0.00 3.16 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 64 E 8.55 4.17 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 65 T 7.69 4.32 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 1.22 0.00 0.00 66 V 7.99 4.75 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 0.19 0.00 0.00 0.87 0.00 0.00 67 G 8.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.03 5.53 0.00 3.11 3.17 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 0.00 69 D 9.21 4.99 0.00 2.83 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.58 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 72 Y 8.12 5.37 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.66 4.77 0.00 2.01 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 2.24 2.28 0.00 74 I 8.67 4.53 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.92 0.00 0.00 75 K 9.29 4.52 0.00 1.78 1.91 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.59 7.81 76 E 7.81 4.77 0.00 2.01 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 2.39 2.46 0.00 77 V 8.21 4.54 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 0.56 0.00 0.00 0.82 0.00 0.00 78 V 8.29 4.13 0.67 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 0.72 0.00 0.00 0.65 0.00 0.00 79 Q 8.56 4.63 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 80 T 8.85 4.42 4.38 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 1.46 0.00 0.00 81 S 7.84 4.59 0.00 4.10 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 82 A 8.95 4.08 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 83 D 8.26 4.52 0.00 2.68 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 0.00 0.00 0.00 0.00 84 W 8.36 5.97 0.00 3.41 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 85 A 9.49 5.27 0.89 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 0.00 0.00 86 F 9.19 5.58 0.00 3.28 3.22 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 87 V 9.04 4.95 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 0.90 0.00 0.00 0.71 0.00 0.00 88 R 9.16 5.45 0.00 2.10 1.87 0.00 3.13 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 89 S 9.40 5.39 0.00 4.19 4.09 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 0.00 0.00 0.00 90 A 9.31 5.40 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 9.10 5.38 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 92 E 9.07 5.23 0.00 1.98 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 2.27 2.33 0.00 93 G 7.79 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 0.00 0.00 0.00 0.00 94 T 8.85 5.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 95 E 9.55 4.89 0.00 2.07 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 1.88 1.47 0.00 96 T 8.95 5.00 4.20 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 1.20 0.00 0.00 97 N 8.83 4.79 0.00 2.75 2.68 0.00 0.00 6.95 6.27 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 98 K 8.99 4.18 0.00 1.85 1.87 0.00 2.03 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 99 A 8.36 4.09 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 0.00 100 T 9.05 4.01 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 1.24 0.00 0.00 101 G 8.72 3.88 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 0.00 0.00 0.00 102 V 7.63 3.78 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 0.89 0.00 0.00 0.93 0.00 0.00 103 V 8.40 4.84 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 0.94 0.00 0.00 0.93 0.00 0.00 104 T 9.05 4.94 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 0.00 105 P 0.00 5.00 0.00 2.13 2.13 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 106 A 9.07 4.89 1.52 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 0.00 0.00 107 A 8.42 5.27 1.21 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 0.00 0.00 108 Y 9.31 5.30 0.00 2.98 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 0.00 109 Q 9.12 5.04 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 110 E 9.41 4.95 0.00 2.02 1.57 0.00 0.00 0.00 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 2.15 0.00 111 L 8.43 5.16 0.00 1.66 1.36 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.77 5.45 0.00 2.98 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 0.00 113 L 9.37 5.34 0.00 1.96 1.97 1.01 0.53 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 0.00 114 L 9.23 5.32 0.00 1.83 1.90 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.78 4.17 0.00 0.69 1.24 0.00 2.88 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 116 K 7.51 3.59 0.00 0.79 1.00 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.68 0.21 7.81 117 S 8.74 4.18 0.00 3.86 3.89 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 0.00 118 A 8.36 3.83 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.59 4.26 4.19 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 1.17 0.00 0.00 120 G 8.23 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 0.00 0.00 0.00 121 S 7.41 4.69 0.00 3.87 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 0.00 122 W 8.72 4.85 0.00 3.15 3.08 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 0.00 123 Q 8.87 4.77 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 124 T 8.84 4.55 3.45 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 1.09 0.00 0.00 125 A 9.57 4.27 1.52 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 0.00 0.00 126 R 8.00 5.23 0.00 1.83 1.86 0.00 3.34 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 127 Y 9.17 5.20 0.00 2.80 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 0.00 128 C 8.41 4.67 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 4.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 130 S 8.82 4.81 0.00 3.87 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 0.00 131 K 8.49 3.88 0.00 1.60 1.58 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.12 0.21 7.81 132 I 8.31 3.91 1.92 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 1.09 0.62 0.89 0.00 0.00 133 S 7.60 4.64 0.00 3.75 3.75 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 0.00 134 P 0.00 4.38 0.00 2.20 1.99 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.