NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2549 8.3344 116.7855 58.5537 65.0850 173.8181 -7 D 5.2429 7.5867 123.4968 52.0043 40.8541 174.1692 -6 P 3.9956 0.0000 0.0000 65.5807 32.2600 177.6192 -5 S 5.1225 8.1028 111.3603 58.1727 62.7424 174.4342 -4 S 4.7406 8.3653 115.7939 58.3903 64.4202 176.0497 -3 I 4.2965 7.8286 122.4847 63.1798 37.5994 177.6909 -2 N 4.9879 7.5563 115.8983 52.2820 39.5536 176.4547 -1 G 4.1667 7.8808 105.4106 44.8165 0.0000 172.2115 -7 G 4.5629 7.5767 111.8968 42.9043 0.0000 172.7691 -6 I 3.7456 9.3197 128.5006 63.3806 38.9600 176.7191 -5 V 4.7725 7.8228 114.8603 62.0727 31.8424 176.1342 -4 V 4.3906 8.0853 119.2939 62.2903 33.5202 177.7497 -3 A 4.4465 8.0686 126.3847 54.5798 17.8994 179.0909 -2 M 4.7279 7.4363 116.7983 54.5820 33.5536 177.5547 -1 T 4.5567 7.7008 110.2106 61.5165 67.9273 172.0116 8 G 3.9680 8.6889 110.7739 44.2081 0.0000 171.2635 9 K 4.0023 8.6005 120.6696 57.4675 31.7590 175.8437 10 D 4.4899 8.8290 126.0383 54.6289 38.6974 173.0322 11 C 4.7361 7.6205 111.2757 57.4484 32.7242 172.6614 12 V 4.9740 7.8489 111.7739 59.8734 35.3157 174.6155 13 A 4.7108 8.3977 123.2570 50.3019 22.3078 175.3457 14 I 5.2143 8.0899 119.2312 59.5124 41.0582 173.9791 15 A 4.9739 8.4849 129.4155 50.7547 22.5514 174.2305 16 C 5.3109 8.2623 112.2006 57.3879 32.5247 173.3605 17 D 4.7679 8.5419 120.3848 52.8311 41.2243 175.7230 18 L 5.0589 8.2365 114.5917 53.5188 43.4923 176.8954 19 R 4.6510 8.0591 119.6142 56.4858 31.3705 176.0616 20 L 4.2827 8.6741 126.3637 54.2638 44.9843 174.5435 21 G 4.4905 8.6000 113.2089 44.4777 0.0000 171.9266 22 S 4.6319 8.9518 113.5384 56.8190 63.3456 175.3172 23 Q 3.4159 8.0314 129.0248 56.7642 27.2837 177.2435 24 S 4.2029 8.8701 122.8200 60.5624 63.4640 173.4115 25 L 4.2765 7.9937 125.1957 53.5985 42.0541 175.8373 26 G 3.9620 8.5987 116.0583 45.5416 0.0000 172.3816 27 V 4.1917 8.4470 122.5041 63.5864 33.8065 175.7337 28 S 4.6888 8.3216 113.1234 56.6627 65.3092 173.3504 29 N 5.2349 8.8777 122.6744 52.6760 37.3318 174.4798 30 K 4.6079 7.9892 115.8083 56.7374 33.7304 176.8868 31 F 4.5962 8.5859 125.5321 57.0151 38.9248 173.8581 32 E 4.0427 8.1723 123.8260 55.6059 30.2719 176.5592 33 K 4.2278 8.3822 121.2411 55.9812 33.8821 175.0465 34 I 4.6808 6.9381 120.9434 59.4777 39.3299 174.8394 35 F 4.9894 9.3491 124.5414 56.0125 43.9435 173.2770 36 H 4.9659 7.4485 113.6769 53.6231 31.9440 172.4738 *38 Y 4.6599 7.9593 116.8824 58.6907 38.9754 175.4717 39 G 3.9311 8.1227 117.2480 47.3247 0.0000 172.8420 40 H 4.7247 8.9280 120.4971 54.9425 28.8818 174.1876 41 V 4.2844 7.3614 121.3777 61.7154 33.1869 174.4628 42 F 5.0300 9.4273 126.8020 55.6283 41.8450 174.4207 43 L 5.2399 9.6040 125.5263 53.4320 44.9224 175.1773 44 G 4.5532 9.5301 114.0868 44.8354 0.0000 172.3225 45 I 5.1629 8.8473 123.9045 59.7511 40.9016 175.0512 46 T 4.5060 8.3597 117.0817 60.0160 71.8065 172.1423 47 G 4.1350 8.8043 105.0367 43.9314 0.0000 173.3181 48 L 4.1508 8.9563 124.3011 54.9086 42.5983 178.2320 49 A 4.1601 9.9310 128.7908 55.9711 18.1524 178.9985 50 T 3.8273 7.9804 110.7182 65.5287 67.4390 175.8000 51 D 4.4419 8.1804 120.3021 56.8921 41.0244 178.7310 52 V 3.6931 7.8814 119.1287 66.2982 31.6069 178.3038 53 T 3.8551 8.3276 115.6331 66.8526 68.2542 176.8877 54 T 3.7593 7.9689 117.5918 66.6855 68.4261 176.6298 55 L 3.3588 8.0572 121.0755 57.5108 41.5145 179.1655 56 N 4.3501 7.6859 118.1095 56.2554 38.7936 176.8210 57 E 3.9361 8.0447 119.8920 59.3927 29.3633 179.1548 58 M 3.7168 7.9435 118.6543 58.6954 32.2306 178.4458 59 F 4.3238 7.9181 118.1139 60.1147 38.9668 177.8425 60 R 3.8158 8.1205 118.8084 59.4476 29.8511 177.7143 61 Y 4.0441 7.9350 119.3300 60.9485 38.7562 178.5074 62 K 4.2826 8.5846 119.8241 59.6745 32.2301 179.5384 63 T 4.0261 8.3908 110.3798 64.4527 68.8177 176.7085 64 N 4.3809 8.2821 119.7585 56.2882 38.6713 177.3475 65 L 4.0141 7.8082 120.2204 57.7127 41.7052 178.7210 66 Y 4.0300 8.2762 119.6546 60.8115 38.7277 178.3445 67 K 4.4522 8.3121 121.6727 59.0835 32.0702 178.7812 68 L 4.0169 7.7500 117.9863 56.9881 41.5143 178.9546 69 K 4.2118 7.5804 117.1734 58.7938 32.7839 178.7081 70 E 3.8761 8.2597 117.5313 56.8765 29.3461 177.0230 71 E 3.9009 8.5697 116.9106 56.6051 27.4391 174.1021 72 R 4.5525 7.3900 111.5160 55.0828 31.9269 173.7592 73 A 4.3139 8.4112 122.3209 51.5944 19.2832 177.6378 74 I 3.8014 8.1276 121.0575 61.0233 38.4841 175.9596 75 E 4.6013 8.2892 124.9119 54.1661 32.6283 175.6510 76 P 4.3678 0.0000 0.0000 66.0394 31.1938 178.8079 77 E 3.9884 8.1802 116.5819 59.7968 29.4749 179.5206 78 T 3.8922 7.8318 115.0809 66.6374 68.6730 176.3074 79 F 4.0650 8.4820 122.9259 61.6793 39.2981 177.1500 80 T 3.7050 8.0466 115.2282 66.7969 68.1549 176.5875 81 Q 3.9281 7.6670 119.7868 58.6522 28.7023 178.4552 82 L 3.8653 7.7008 121.5178 57.9032 42.0824 179.2126 83 V 3.2630 7.5755 118.4800 65.8065 31.4331 177.7180 84 S 4.0805 7.9435 113.1168 61.6849 62.1325 176.4790 85 S 4.2682 8.2770 116.6898 61.3484 62.5655 176.5452 86 S 4.1905 7.9869 118.3949 61.3660 62.8666 176.2534 87 L 4.2487 8.2238 121.8709 57.9930 41.4405 178.8969 88 Y 3.9120 8.2082 119.2497 60.1697 38.4637 177.3203 89 E 4.0401 7.9613 119.1914 57.9436 29.8021 177.1432 90 R 4.4165 7.4609 118.0718 55.8422 30.9721 178.0561 91 R 3.1815 7.1500 120.7058 59.1481 29.7635 177.1480 92 F 4.8708 7.2972 112.7827 56.7949 39.6837 176.7299 93 G 4.0949 7.6059 104.5832 44.3889 0.0000 172.2153 94 P 4.0774 0.0000 0.0000 62.3851 32.6364 176.2423 95 Y 4.1793 7.7949 117.1853 57.9385 38.9148 176.8571 96 F 4.7485 9.0835 125.0964 56.4304 37.4350 174.5969 97 V 5.0867 7.7821 113.7578 59.6764 36.5814 176.4034 98 G 4.1727 8.9722 108.4250 43.7865 0.0000 170.5414 99 P 4.9082 0.0000 0.0000 62.9345 33.0654 175.8558 100 V 4.4478 8.9320 121.6439 61.6802 34.9824 173.6384 101 V 5.0910 8.6056 127.3582 61.3345 33.7200 174.5371 102 A 4.7479 9.1792 128.0636 49.8473 22.8507 175.5534 103 G 4.2871 7.8053 108.1999 46.7095 0.0000 171.7737 104 I 4.6383 8.1119 120.1718 58.9274 39.7043 175.6903 105 N 4.9634 8.7595 121.4649 53.4803 38.7658 174.3604 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 -8 S 8.33 4.25 0.00 3.84 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 -7 D 7.59 5.24 0.00 2.75 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 -6 P 0.00 4.00 0.00 1.25 1.38 0.00 3.29 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 0.67 1.56 0.00 -5 S 8.10 5.12 0.00 4.03 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 -4 S 8.37 4.74 0.00 3.89 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 0.00 -3 I 7.83 4.30 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.88 0.00 0.00 -2 N 7.56 4.99 0.00 2.75 2.74 0.00 0.00 7.58 7.58 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 -1 G 7.88 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 0.00 0.00 0.00 0.00 -7 G 7.58 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 I 9.32 3.75 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 0.83 0.91 0.00 0.00 -5 V 7.82 4.77 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 8.09 4.39 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 1.00 0.00 0.00 0.93 0.00 0.00 -3 A 8.07 4.45 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.44 4.73 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.70 4.56 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 8 G 8.69 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 9 K 8.60 4.00 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.52 7.81 10 D 8.83 4.49 0.00 2.82 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 11 C 7.62 4.74 0.00 2.97 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 12 V 7.85 4.97 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 0.73 0.00 0.00 0.89 0.00 0.00 13 A 8.40 4.71 1.10 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 0.00 0.00 14 I 8.09 5.21 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 0.77 0.00 0.00 15 A 8.48 4.97 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 16 C 8.26 5.31 0.00 3.07 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 17 D 8.54 4.77 0.00 2.73 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 L 8.24 5.06 0.00 1.63 1.80 0.98 0.98 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 19 R 8.06 4.65 0.00 1.85 2.00 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.67 4.28 0.00 1.51 1.38 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.60 4.49 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 0.00 0.00 0.00 22 S 8.95 4.63 0.00 3.73 3.69 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 23 Q 8.03 3.42 0.00 2.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 S 8.87 4.20 0.00 3.97 3.98 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 25 L 7.99 4.28 0.00 1.75 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.60 3.96 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 0.00 0.00 0.00 27 V 8.45 4.19 2.21 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 0.81 0.00 0.00 0.97 0.00 0.00 28 S 8.32 4.69 0.00 3.86 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 29 N 8.88 5.23 0.00 2.86 2.87 0.00 0.00 5.89 7.13 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 30 K 7.99 4.61 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.59 4.60 0.00 3.18 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 32 E 8.17 4.04 0.00 1.58 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 2.22 2.23 0.00 33 K 8.38 4.23 0.00 1.63 2.00 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.56 7.81 34 I 6.94 4.68 1.71 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 1.21 0.79 1.00 0.00 0.00 35 F 9.35 4.99 0.00 2.71 2.60 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 0.00 0.00 0.00 0.00 36 H 7.45 4.97 0.00 1.92 1.71 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.96 4.66 0.00 2.69 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 39 G 8.12 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.93 4.72 0.00 3.35 3.41 0.00 5.51 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.36 4.28 1.77 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 0.76 0.00 0.00 0.68 0.00 0.00 42 F 9.43 5.03 0.00 3.12 2.93 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 0.00 0.00 0.00 43 L 9.60 5.24 0.00 2.05 1.80 1.17 1.43 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 44 G 9.53 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 0.00 0.00 0.00 0.00 45 I 8.85 5.16 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.08 1.05 0.00 0.00 46 T 8.36 4.51 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 1.29 0.00 0.00 47 G 8.80 4.14 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 0.00 0.00 0.00 48 L 8.96 4.15 0.00 1.98 1.76 0.99 1.53 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 49 A 9.93 4.16 1.10 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 0.00 0.00 50 T 7.98 3.83 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 1.29 0.00 0.00 51 D 8.18 4.44 0.00 3.08 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 52 V 7.88 3.69 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 1.40 0.00 0.00 1.24 0.00 0.00 53 T 8.33 3.86 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 1.26 0.00 0.00 54 T 7.97 3.76 4.23 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 1.07 0.00 0.00 55 L 8.06 3.36 0.00 1.57 1.61 0.87 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.69 4.35 0.00 1.51 2.41 0.00 0.00 6.83 7.66 0.00 0.00 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 8.04 3.94 0.00 2.12 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 2.31 2.37 0.00 58 M 7.94 3.72 0.00 1.46 1.62 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.03 0.00 59 F 7.92 4.32 0.00 2.91 2.56 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 0.00 0.00 0.00 0.00 60 R 8.12 3.82 0.00 2.17 2.15 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 61 Y 7.94 4.04 0.00 3.16 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 62 K 8.58 4.28 0.00 1.97 1.98 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.54 1.59 7.81 63 T 8.39 4.03 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 0.97 0.00 0.00 64 N 8.28 4.38 0.00 2.95 2.87 0.00 0.00 6.88 6.08 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 65 L 7.81 4.01 0.00 1.88 1.76 1.01 1.10 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 66 Y 8.28 4.03 0.00 3.17 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 67 K 8.31 4.45 0.00 2.14 1.98 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.58 7.81 68 L 7.75 4.02 0.00 1.84 1.70 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.58 4.21 0.00 1.62 1.76 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.61 7.81 70 E 8.26 3.88 0.00 1.55 1.72 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 1.57 1.47 0.00 71 E 8.57 3.90 0.00 2.11 2.05 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 2.21 2.35 0.00 72 R 7.39 4.55 0.00 2.00 2.00 0.00 3.03 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 73 A 8.41 4.31 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 74 I 8.13 3.80 1.12 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.20 0.65 0.00 0.00 75 E 8.29 4.60 0.00 2.05 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 2.42 2.39 0.00 76 P 0.00 4.37 0.00 2.19 2.16 0.00 3.65 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 2.17 2.20 0.00 77 E 8.18 3.99 0.00 2.08 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 2.42 2.49 0.00 78 T 7.83 3.89 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 1.22 0.00 0.00 79 F 8.48 4.07 0.00 3.00 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 80 T 8.05 3.71 4.40 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 1.16 0.00 0.00 81 Q 7.67 3.93 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 82 L 7.70 3.87 0.00 1.67 1.49 0.97 0.74 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 83 V 7.58 3.26 1.80 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 0.80 0.00 0.00 -0.53 0.00 0.00 84 S 7.94 4.08 0.00 3.97 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 85 S 8.28 4.27 0.00 4.11 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 86 S 7.99 4.19 0.00 4.24 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 87 L 8.22 4.25 0.00 1.92 1.76 0.97 0.74 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 88 Y 8.21 3.91 0.00 3.17 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 89 E 7.96 4.04 0.00 2.15 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 2.34 0.00 90 R 7.46 4.42 0.00 1.74 1.68 0.00 2.94 0.00 0.00 2.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 91 R 7.15 3.18 0.00 0.67 1.03 0.00 2.68 0.00 0.00 2.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.30 4.87 0.00 3.00 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 93 G 7.61 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 0.00 0.00 0.00 94 P 0.00 4.08 0.00 1.86 1.81 0.00 3.56 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.79 0.00 95 Y 7.79 4.18 0.00 2.91 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 96 F 9.08 4.75 0.00 3.08 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 97 V 7.78 5.09 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 0.81 0.00 0.00 1.07 0.00 0.00 98 G 8.97 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 0.00 0.00 0.00 0.00 99 P 0.00 4.91 0.00 1.98 2.08 0.00 3.71 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 2.10 2.18 0.00 100 V 8.93 4.45 2.14 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 0.79 0.00 0.00 0.97 0.00 0.00 101 V 8.61 5.09 2.15 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 1.00 0.00 0.00 1.06 0.00 0.00 102 A 9.18 4.75 1.20 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 0.00 0.00 103 G 7.81 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 0.00 0.00 0.00 0.00 104 I 8.11 4.64 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.92 0.00 0.00 105 N 8.76 4.96 0.00 2.85 2.73 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.