NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.1063 8.3393 109.7414 45.4770 0.0000 174.1995 5 D 4.4045 7.7711 129.2040 50.5353 39.6080 174.3636 6 Y 4.6757 7.3581 119.1933 57.1087 41.5772 174.8763 7 D 4.6973 9.0690 115.8916 53.9422 41.5556 175.4488 8 Y 4.7145 8.3195 115.2748 55.6268 40.7700 174.4650 9 L 4.5907 8.6831 125.1002 53.1285 43.7811 175.5315 10 I 4.5897 8.1121 118.7864 58.7048 40.1605 174.2007 11 K 4.5177 8.3460 123.2201 54.7178 34.2560 174.5467 12 L 4.8117 8.4147 126.4915 52.7176 44.7131 175.3317 13 L 4.7031 8.5492 124.5812 53.1366 44.8740 174.6160 14 A 5.1429 8.5471 127.5645 50.1414 20.7004 175.9604 15 L 4.3394 9.3292 122.8883 52.5611 43.3852 176.7025 16 G 2.8883 6.4710 112.1628 44.3797 0.0000 171.4829 17 D 4.8520 7.5870 119.0264 54.0367 41.4319 176.6821 18 S 4.2148 8.5211 117.8276 60.1670 63.2627 173.3579 19 G 4.3893 9.6791 116.5977 46.6229 0.0000 176.1523 20 V 3.4995 7.0913 112.7857 64.4213 31.7678 176.5775 21 G 3.9209 7.8903 107.4021 45.6544 0.0000 175.8959 22 K 3.9204 8.4767 121.0399 59.6592 32.0231 178.8489 23 T 3.9616 7.9893 115.1380 67.2570 68.4478 176.6423 24 T 3.9222 7.8980 116.8105 66.4655 68.5899 176.1561 25 F 4.0043 8.9017 123.1628 61.5172 39.4795 177.1149 26 L 4.0752 8.4824 118.2689 58.1016 41.5361 178.5881 27 Y 4.0848 8.0965 119.4414 61.1210 38.4057 178.6142 28 R 3.8597 8.5194 118.2452 59.5254 30.3655 177.5450 29 Y 4.0447 8.1156 117.9020 60.0985 38.7173 175.0671 30 T 3.9492 7.5589 112.4188 63.1819 71.4173 173.1159 31 D 3.8206 7.8381 126.7082 55.6426 39.9739 175.8924 32 N 3.1400 7.8624 114.3485 54.6065 35.5844 175.4908 33 K 4.4140 6.5610 127.0028 55.2093 33.7110 179.0082 34 F 4.6730 7.1451 120.2156 55.9776 37.8839 174.7646 35 N 4.7952 7.7264 116.3556 49.7987 39.1100 173.5789 36 P 4.1657 0.0000 0.0000 62.6763 31.7344 176.5405 37 K 4.2183 8.4063 124.6248 56.0619 33.1146 175.4759 38 F 4.9556 8.4895 116.5617 56.4886 40.0416 172.9708 39 I 4.1891 7.8546 114.2899 60.2828 39.9427 173.7486 40 T 4.4028 8.0136 111.3148 60.9695 70.2483 173.6737 41 T 4.6960 7.7870 110.1301 59.9672 71.6014 174.1852 42 V 3.8834 8.2705 117.3661 61.6833 32.6564 177.1053 43 G 4.0427 7.9150 110.3013 43.4003 0.0000 171.9270 44 I 3.4685 7.4608 113.8624 61.6935 38.2460 176.1782 45 D 4.5090 7.7624 123.0091 51.5797 42.0582 175.2065 46 F 4.5976 8.7272 121.4321 57.5154 40.4680 174.3297 47 R 5.2301 8.4277 115.7803 55.4128 32.8871 173.4619 48 E 4.6089 9.0171 118.9224 55.5225 33.6962 174.2014 49 K 4.8760 8.5254 124.5706 54.8156 32.0643 175.7803 50 R 4.2554 8.6059 125.0066 55.8183 31.8370 174.6099 51 V 4.7677 8.2998 123.7816 61.2711 33.6518 175.9510 52 V 4.4510 8.1913 126.4887 60.0026 32.4206 174.1507 53 Y 4.4925 8.6903 128.3222 58.1844 39.5143 175.1041 54 D 4.2799 7.9445 124.1606 55.5632 42.4536 175.7624 *66 F 4.7377 7.5980 116.6778 57.1407 41.1864 174.0356 67 K 4.8818 8.6570 118.1881 55.6869 34.9840 175.9039 68 V 4.4642 8.5458 125.2690 59.9480 33.6668 174.4599 69 H 5.0336 8.9196 125.3982 55.5312 30.8705 174.1178 70 L 4.9167 9.1055 124.7786 54.3811 43.9979 174.9972 71 Q 5.1249 8.8518 119.8364 54.5804 31.3611 175.4795 72 L 4.8376 9.6777 122.5936 53.2129 44.4817 176.0540 73 W 4.9809 8.9757 123.6789 55.4836 31.5498 175.1108 74 D 4.7222 8.4556 118.9362 52.7096 41.2502 174.7662 75 T 4.3538 8.2829 110.8737 60.9187 71.5354 172.8025 *83 S 4.5417 8.8092 120.5540 58.5130 63.8602 175.6364 84 L 4.3747 9.3089 131.5700 58.3784 41.9163 177.4797 85 T 3.9587 7.8573 113.1732 65.5604 67.5763 175.2467 86 T 4.0134 8.2546 110.8744 65.1128 68.4258 175.6176 87 A 4.2777 8.2683 121.7370 53.7003 18.4056 178.9754 88 F 4.2652 8.5144 116.2375 60.0413 39.6796 177.8096 89 F 4.6753 8.5795 114.2054 57.7986 39.2775 175.4063 90 R 3.9318 7.7437 120.1591 57.8799 29.9359 176.9980 91 D 4.7229 9.0468 124.7559 54.4996 39.7219 174.3830 92 A 4.1870 6.8848 120.6345 51.3210 19.0386 176.7211 *94 G 3.7687 8.2252 105.0217 46.1400 0.0000 171.8370 95 F 5.3310 9.3725 120.1084 55.4426 42.7924 174.6733 96 L 4.6394 9.3699 124.5444 53.3762 42.0063 175.3604 97 L 4.6521 8.5102 127.0640 54.1541 43.9760 175.6098 *99 F 4.8186 8.3678 119.0604 56.9503 40.2337 172.8463 100 D 5.1379 8.9197 118.7007 52.7847 41.5228 176.6361 101 L 4.4359 9.1487 128.6984 57.0870 42.9397 178.3229 102 T 4.8314 8.2060 108.7052 60.3490 68.8970 175.9718 103 S 4.5625 7.8365 113.5314 57.6294 64.3542 175.0782 104 Q 4.1284 9.9285 131.3233 59.0737 28.6678 178.3218 105 Q 4.0782 8.1158 118.9477 59.0540 28.7104 178.6009 106 S 4.5977 7.8596 114.9191 60.9160 62.8448 175.9740 107 F 3.9325 7.9836 123.1911 61.0199 38.5625 177.1587 108 L 3.7498 7.7530 118.8195 57.6953 41.3687 179.0675 109 N 4.4956 8.2627 115.9057 55.2750 38.4296 177.3440 110 V 3.7257 7.4890 120.3959 66.3970 31.3558 177.7049 111 R 4.0114 7.1185 115.8928 59.6672 29.9126 177.1425 112 N 4.6245 7.7286 113.7884 54.5651 39.1243 177.1846 113 W 4.1042 8.4267 121.0782 56.7613 29.5439 178.4758 *115 S 4.2292 8.0840 113.8006 58.4244 63.3793 175.2139 116 Q 4.0736 7.4677 115.9333 57.4046 28.7543 177.4989 117 L 3.7945 7.7898 123.5202 58.4757 42.0418 178.5585 118 Q 3.7850 7.8091 116.1510 58.9315 28.6990 178.5578 119 A 4.0080 7.5985 120.4931 54.2982 18.4103 177.8574 120 N 4.4781 7.5489 112.7895 53.6833 40.1597 175.0184 121 A 4.5955 7.6010 120.3578 51.7906 19.0692 176.8055 122 Y 4.3900 8.7130 116.9658 59.7175 38.3491 175.7336 123 C 4.6544 6.8115 118.2413 57.0384 34.8806 173.1147 124 E 3.8978 8.9088 122.8654 58.8762 28.9432 177.0048 125 N 4.6588 7.6598 121.0448 50.4351 39.0960 172.0070 126 P 4.5658 0.0000 0.0000 61.6564 33.6859 174.7309 127 D 4.9139 8.8596 119.1223 54.1748 41.9649 175.9324 128 I 5.3201 8.5496 124.2369 59.3346 40.7481 175.2527 129 V 4.5752 8.5447 125.1885 59.8033 34.4092 174.2353 130 L 4.9248 9.0872 126.6708 54.3927 43.4021 175.0675 131 I 4.7153 9.3208 129.0423 59.5522 39.1996 175.5938 132 G 2.9904 9.0426 116.3497 44.6526 0.0000 172.1614 133 N 5.2671 8.5031 125.4371 50.9510 42.5173 174.3864 134 K 4.1870 8.6264 116.3516 57.4285 28.9230 178.3135 135 A 4.1496 8.0939 123.3938 54.4920 18.3289 179.0639 136 D 4.6775 8.0249 113.5879 53.8315 39.8403 177.0685 137 L 4.7100 7.6834 121.8549 52.5046 41.4428 175.0775 138 P 4.3490 0.0000 0.0000 65.4526 32.1309 179.6129 139 D 4.4059 8.1642 117.8186 56.5640 40.9516 176.9012 140 Q 4.5821 7.7304 116.0170 55.3386 29.1136 175.1533 141 R 4.3234 7.6491 118.5825 56.5330 30.4482 176.1291 142 E 4.6123 8.9069 121.4587 55.4364 31.5567 175.7535 143 V 4.2595 7.7473 118.9580 60.5570 33.5473 174.8751 144 N 4.8056 8.3611 125.2272 51.4150 40.2039 175.4460 145 E 3.9651 8.6990 122.5793 59.7932 29.6211 179.3398 146 R 3.8143 7.9043 117.7929 59.9223 30.3581 177.5629 147 Q 3.8071 8.1592 116.2857 59.5997 28.5899 179.0973 148 A 3.9871 7.6616 120.5564 55.4595 18.5035 179.3514 149 R 3.7218 7.6574 117.0283 59.8382 29.8744 178.4772 150 E 3.8653 8.1083 117.8926 59.2573 29.4640 178.7198 151 L 3.7347 7.6977 119.7614 58.1736 42.0769 178.5385 152 A 4.1617 8.4264 120.7550 55.7058 18.0591 179.5882 153 E 3.9498 8.0727 115.2894 59.1679 29.6018 178.8619 154 K 3.8651 8.3870 119.7774 60.2746 32.2116 178.0828 155 Y 4.5000 7.8596 115.4806 58.5391 39.0458 175.4601 156 G 3.7422 9.0913 107.1125 45.3860 0.0000 172.6859 157 I 4.7736 7.2039 109.6715 58.1428 41.4103 173.7004 158 P 4.5792 0.0000 0.0000 63.7512 32.2296 174.1345 159 Y 5.5160 8.5180 121.4538 56.0972 41.9593 174.6248 160 F 4.2159 9.1293 123.8667 55.5445 43.3185 173.1342 161 E 4.7542 8.4068 125.2924 55.2196 30.3534 174.9579 162 T 5.0561 9.3853 117.4423 59.9655 73.2937 172.7151 163 S 4.6852 8.7745 115.4770 56.6571 64.9162 174.7534 164 A 3.9793 8.9978 130.2874 54.9873 18.6047 178.5263 165 A 4.1729 8.1805 118.4219 54.9736 18.7660 178.2425 166 T 4.2168 7.7684 104.4919 63.3299 70.2382 175.7683 167 G 3.9484 8.4521 108.2029 44.5086 0.0000 172.8722 168 Q 4.0398 8.5379 122.3646 57.5341 29.1799 176.6359 169 N 4.2701 9.1520 120.2277 53.9041 36.9105 176.0359 170 V 3.3750 7.5369 118.1867 66.0255 31.2822 177.8045 171 E 4.0398 8.0088 117.5124 59.4533 29.6623 178.5934 172 K 3.7357 8.1749 119.3509 59.8161 31.9621 178.5629 173 S 2.7917 7.9391 114.4880 60.9866 62.8496 176.7405 174 V 3.3742 7.0304 121.7325 65.2725 31.0876 177.6566 175 E 3.8609 8.3019 119.3830 59.6974 29.3827 178.9465 176 T 3.8939 8.1704 116.1365 66.3214 68.4271 176.4819 177 L 3.9490 7.5262 121.9392 58.0002 41.9892 178.5996 178 L 3.8629 8.1266 119.2871 58.3395 42.1102 177.8408 179 D 4.4619 8.1320 116.8098 57.5289 41.0663 178.2901 180 L 4.1715 7.4647 118.5631 57.2966 42.9925 179.3002 181 I 4.1466 7.4068 112.4184 59.2447 34.0527 176.6147 *183 K 4.0615 7.2695 117.2778 57.5151 33.8958 176.6724 184 R 4.2128 8.4044 121.7663 56.2445 31.0242 175.0816 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 4 G 8.34 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 0.00 0.00 0.00 5 D 7.77 4.40 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 7.36 4.68 0.00 3.09 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 7 D 9.07 4.70 0.00 2.59 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 8 Y 8.32 4.71 0.00 2.92 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 9 L 8.68 4.59 0.00 1.75 1.63 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.11 4.59 1.82 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 1.24 0.77 0.92 0.00 0.00 11 K 8.35 4.52 0.00 1.77 1.75 0.00 1.59 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.34 7.81 12 L 8.41 4.81 0.00 1.42 1.38 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.55 4.70 0.00 1.42 1.49 0.38 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.55 5.14 1.13 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 0.00 0.00 15 L 9.33 4.34 0.00 1.45 1.59 1.01 0.80 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 16 G 6.47 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 0.00 0.00 0.00 17 D 7.59 4.85 0.00 2.88 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 18 S 8.52 4.21 0.00 3.92 3.85 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 19 G 9.68 4.39 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 0.00 20 V 7.09 3.50 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 0.78 0.00 0.00 0.91 0.00 0.00 21 G 7.89 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 0.00 0.00 0.00 0.00 22 K 8.48 3.92 0.00 1.79 1.85 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 23 T 7.99 3.96 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 1.28 0.00 0.00 24 T 7.90 3.92 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 25 F 8.90 4.00 0.00 3.24 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 26 L 8.48 4.08 0.00 1.86 1.80 0.98 0.99 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 27 Y 8.10 4.08 0.00 3.25 3.26 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 28 R 8.52 3.86 0.00 1.86 2.22 0.00 3.30 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 29 Y 8.12 4.04 0.00 2.60 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.56 3.95 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 1.03 0.00 0.00 31 D 7.84 3.82 0.00 2.52 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 32 N 7.86 3.14 0.00 2.57 2.76 0.00 0.00 6.96 7.61 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 33 K 6.56 4.41 0.00 1.47 1.72 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.24 7.81 34 F 7.15 4.67 0.00 3.08 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 35 N 7.73 4.80 0.00 2.71 2.76 0.00 0.00 6.36 7.75 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 36 P 0.00 4.17 0.00 1.97 2.10 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 37 K 8.41 4.22 0.00 1.66 1.66 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 38 F 8.49 4.96 0.00 3.09 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 39 I 7.85 4.19 1.83 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 1.50 0.51 0.93 0.00 0.00 40 T 8.01 4.40 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 1.12 0.00 0.00 41 T 7.79 4.70 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 1.27 0.00 0.00 42 V 8.27 3.88 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 0.67 0.00 0.00 0.90 0.00 0.00 43 G 7.91 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 44 I 7.46 3.47 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.75 0.00 0.00 45 D 7.76 4.51 0.00 2.15 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.73 4.60 0.00 3.02 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 47 R 8.43 5.23 0.00 1.80 1.94 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 48 E 9.02 4.61 0.00 2.03 1.76 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 2.22 2.29 0.00 49 K 8.53 4.88 0.00 1.69 1.78 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 50 R 8.61 4.26 0.00 1.93 1.80 0.00 3.11 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 51 V 8.30 4.77 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 1.02 0.00 0.00 0.97 0.00 0.00 52 V 8.19 4.45 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 0.73 0.00 0.00 0.92 0.00 0.00 53 Y 8.69 4.49 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.94 4.28 0.00 2.86 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 *66 F 7.60 4.74 0.00 3.18 3.09 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 67 K 8.66 4.88 0.00 1.76 1.81 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 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*83 S 8.81 4.54 0.00 3.94 3.46 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 84 L 9.31 4.37 0.00 1.81 2.02 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.86 3.96 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 1.27 0.00 0.00 86 T 8.25 4.01 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 1.25 0.00 0.00 87 A 8.27 4.28 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.51 4.27 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 89 F 8.58 4.68 0.00 3.16 3.36 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 90 R 7.74 3.93 0.00 2.20 2.04 0.00 3.23 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 91 D 9.05 4.72 0.00 2.89 2.85 0.00 0.00 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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 0.00 153 E 8.07 3.95 0.00 2.06 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 2.37 2.42 0.00 154 K 8.39 3.87 0.00 1.59 1.58 0.00 1.43 0.00 0.00 1.13 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.35 7.81 155 Y 7.86 4.50 0.00 3.16 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 0.00 156 G 9.09 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 0.00 157 I 7.20 4.77 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.94 1.04 0.00 0.00 158 P 0.00 4.58 0.00 2.47 2.44 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 159 Y 8.52 5.52 0.00 2.98 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 0.00 160 F 9.13 4.22 0.00 2.84 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 0.00 161 E 8.41 4.75 0.00 1.77 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 2.25 2.34 0.00 162 T 9.39 5.06 4.55 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 1.34 0.00 0.00 163 S 8.77 4.69 0.00 3.90 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 0.00 164 A 9.00 3.98 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 0.00 165 A 8.18 4.17 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 0.00 166 T 7.77 4.22 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 0.00 167 G 8.45 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.54 4.04 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.01 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 169 N 9.15 4.27 0.00 3.18 3.12 0.00 0.00 6.72 7.68 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 0.00 170 V 7.54 3.37 1.91 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 0.35 0.00 0.00 0.74 0.00 0.00 171 E 8.01 4.04 0.00 2.07 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 2.43 2.37 0.00 172 K 8.17 3.74 0.00 1.87 1.89 0.00 1.83 0.00 0.00 1.94 0.00 0.00 3.22 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.91 1.62 7.81 173 S 7.94 2.79 0.00 3.75 3.55 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 0.00 174 V 7.03 3.37 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.19 0.00 0.00 175 E 8.30 3.86 0.00 2.21 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 2.30 2.35 0.00 176 T 8.17 3.89 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 1.39 0.00 0.00 177 L 7.53 3.95 0.00 1.80 1.74 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.13 3.86 0.00 1.57 1.79 0.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.13 4.46 0.00 2.78 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 0.00 180 L 7.46 4.17 0.00 1.86 1.75 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.41 4.15 1.84 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 1.75 0.46 1.08 0.00 0.00 *183 K 7.27 4.06 0.00 1.91 1.94 0.00 1.44 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.93 7.81 184 R 8.40 4.21 0.00 1.74 1.81 0.00 3.27 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.