NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4496 0.0000 0.0000 62.8623 33.6426 178.6004 7 L 3.8918 7.6501 119.8433 55.3346 41.5959 175.9190 8 E 3.8182 8.5475 121.1959 59.3319 30.2015 178.3134 9 A 4.2566 8.0227 120.2969 55.1796 18.5403 179.2457 10 Q 3.9577 7.8958 117.5041 59.0246 29.0769 178.1516 11 A 3.8855 8.4843 122.2760 55.0029 18.3862 179.5932 12 W 4.2901 7.9871 117.1549 59.9336 28.9035 178.6311 13 A 4.3801 7.7713 120.5387 54.6148 18.1243 179.3420 14 L 4.0987 8.0342 117.4494 58.1018 41.6585 179.8561 15 L 4.0195 8.1137 118.8347 57.6732 41.2973 179.0764 16 E 4.1908 8.5710 117.6075 57.9401 29.1553 177.8053 17 A 4.7792 7.5366 119.4537 50.7698 19.8779 176.3293 18 V 4.0797 7.4857 119.8493 62.0016 32.6703 174.3563 19 Y 4.8964 8.6554 125.6850 56.4230 40.2159 174.6424 20 D 4.6519 9.1103 123.6561 52.5131 42.2200 175.1710 21 P 4.2748 0.0000 0.0000 65.8691 31.6654 177.5377 22 E 4.1023 8.0549 115.8857 58.9405 29.2341 178.1294 23 L 4.3971 7.9483 116.6417 53.9309 42.8153 177.4529 24 G 4.0307 8.4147 106.2985 46.2749 0.0000 173.1861 25 L 5.1136 7.3160 115.2201 52.1784 45.8963 175.9633 26 D 4.4221 7.9450 119.1187 52.5451 40.4771 177.9917 27 V 3.5595 8.2670 114.4539 64.4425 32.1632 179.3452 28 V 3.6851 7.9648 119.3768 66.0618 31.7810 177.7375 29 N 4.5199 9.0928 116.8671 55.4536 38.5002 177.0049 30 L 4.2287 7.7753 117.2824 55.4972 41.9955 177.7553 31 G 4.1966 8.1025 105.7461 47.1869 0.0000 174.6333 32 L 3.9628 7.9332 120.3823 55.7253 41.9559 177.2107 33 I 4.1335 7.6876 119.7819 60.6597 37.2834 174.7989 34 Y 4.8927 8.7201 124.5263 60.0002 39.0229 175.7679 35 D 4.8956 7.9210 116.6174 53.1349 45.0605 174.1478 36 L 4.9397 8.4351 125.9474 53.7755 45.2385 175.0713 37 V 4.3688 9.2368 126.4472 61.1914 34.7527 174.1216 38 V 4.5187 8.7195 128.1268 61.4446 33.1426 175.0617 39 E 4.5575 9.1816 128.5008 52.9094 30.4684 172.4497 40 P 4.3487 0.0000 0.0000 61.8218 32.3332 174.0566 41 P 5.5742 0.0000 0.0000 62.5878 32.4959 175.2425 42 R 5.2739 8.3093 119.0016 54.9620 33.7161 174.7547 43 A 5.0809 8.8012 122.4317 50.5436 22.8515 174.4895 44 Y 5.3147 9.4329 123.2936 55.7228 42.6474 174.6585 45 V 4.5168 8.0518 124.8802 59.9885 35.0866 173.8203 46 R 4.9705 8.2586 124.1955 53.9014 33.0631 174.9829 *48 T 4.0557 8.0843 117.3665 61.9363 68.2563 172.1184 49 L 4.6753 7.8231 121.0749 52.6736 44.7266 177.1616 50 T 3.5800 8.0089 109.6575 63.2093 69.1710 174.7037 51 T 4.7787 7.4366 111.4142 58.6993 71.8136 171.8699 52 P 3.7123 0.0000 0.0000 63.3174 32.0040 176.8538 53 G 3.8610 7.5059 105.0098 46.0120 0.0000 172.6852 54 C 4.6136 8.2163 118.5945 57.6902 29.2057 172.3931 55 P 4.5913 0.0000 0.0000 61.7693 32.1257 176.1019 56 L 3.9802 8.5214 121.0186 57.6423 42.1208 176.7725 57 H 4.7637 7.8716 114.8056 53.6077 31.3159 174.3329 58 D 4.6515 8.4075 126.5814 53.1214 38.1076 176.2563 59 S 4.1169 7.9072 120.0799 61.0930 63.3989 175.8086 60 L 3.9953 7.8716 122.7233 58.0627 41.9988 179.0094 61 G 3.7310 8.2721 107.0487 47.2127 0.0000 175.2439 62 E 3.9179 8.2482 121.4573 58.9881 29.6557 178.8220 63 A 3.9827 8.0968 120.9808 54.9766 18.3795 179.8511 64 V 3.4658 7.9016 116.9730 65.9406 31.5977 178.2403 65 R 3.7860 7.9800 118.4566 59.5507 29.7199 178.4496 66 Q 3.9531 7.9428 116.2641 58.8429 28.9939 178.4089 67 A 4.1216 7.9466 121.6414 55.3737 18.4894 179.8193 68 L 3.9588 7.8739 117.5679 57.5975 41.4270 179.5586 69 S 4.2607 7.7916 112.9573 60.5011 63.0511 176.0929 70 R 4.0555 7.6145 121.0341 57.2150 29.9879 176.8504 71 L 4.1723 7.4546 120.2482 53.6000 42.3011 174.8281 72 P 4.3156 0.0000 0.0000 63.7634 32.0052 177.1115 73 G 3.7703 8.8637 109.7977 45.6639 0.0000 173.1277 74 V 4.4493 7.1522 118.8631 61.7164 30.4325 175.0577 75 E 4.3997 8.4844 126.3945 57.0229 30.7389 176.1814 76 E 4.5982 8.3998 121.2164 54.2236 33.0787 174.1788 77 V 4.7670 8.5254 126.4638 61.1754 33.9597 173.9675 78 E 4.4739 9.2999 130.6654 54.8038 31.1514 174.6599 79 V 4.4601 8.3706 127.4641 61.3190 33.2959 174.2759 80 E 4.5493 8.9762 128.9538 54.6752 31.5326 175.2342 81 V 4.1448 8.2158 124.9441 61.5396 32.3720 174.8085 82 T 4.4971 7.9778 120.6593 60.5307 70.6735 173.3044 83 F 4.9953 8.6668 120.8314 56.9813 39.6501 175.1952 84 E 4.6721 8.3472 120.9588 53.8315 30.9240 174.3271 85 P 4.6561 0.0000 0.0000 61.1156 32.5195 174.2389 86 P 4.7589 0.0000 0.0000 62.2543 32.0515 176.1444 87 W 4.5145 8.9438 131.7516 57.6146 31.6754 174.9214 88 T 4.2143 6.7667 112.1613 59.5937 71.3851 174.6295 89 L 3.4893 7.7496 121.0326 56.8799 41.6713 179.3334 90 A 4.0006 7.2372 120.8295 54.3341 17.9971 178.3531 91 R 4.2442 7.5733 114.1037 56.4431 30.5616 176.7505 92 L 4.3665 7.5492 119.1350 54.6685 42.0924 177.1751 93 S 4.5115 8.3728 117.1140 57.2018 64.3124 174.1710 94 E 4.0274 8.7261 121.3475 59.2568 29.5270 177.6505 95 K 3.9198 8.2773 117.9865 59.3379 32.3529 175.9368 96 A 4.2130 7.7368 124.4290 52.4808 18.1881 176.8420 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 6 P 0.00 4.45 0.00 2.24 2.37 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 7 L 7.65 3.89 0.00 1.78 1.73 0.91 0.51 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 8 E 8.55 3.82 0.00 2.11 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 2.51 2.63 0.00 9 A 8.02 4.26 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 10 Q 7.90 3.96 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 11 A 8.48 3.89 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 12 W 7.99 4.29 0.00 3.59 3.20 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 13 A 7.77 4.38 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 14 L 8.03 4.10 0.00 1.86 1.70 0.93 0.39 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 15 L 8.11 4.02 0.00 2.02 1.79 0.81 0.43 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 16 E 8.57 4.19 0.00 2.24 2.00 0.00 0.00 0.00 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 2.58 0.00 17 A 7.54 4.78 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 18 V 7.49 4.08 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 0.98 0.00 0.00 0.96 0.00 0.00 19 Y 8.66 4.90 0.00 2.89 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 20 D 9.11 4.65 0.00 2.61 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 21 P 0.00 4.27 0.00 2.07 2.11 0.00 3.73 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 2.03 2.13 0.00 22 E 8.05 4.10 0.00 1.90 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 2.28 0.00 23 L 7.95 4.40 0.00 1.68 1.75 1.03 1.04 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 24 G 8.41 4.03 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 0.00 0.00 0.00 25 L 7.32 5.11 0.00 1.83 1.55 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.95 4.42 0.00 2.54 1.69 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 27 V 8.27 3.56 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 0.63 0.00 0.00 0.91 0.00 0.00 28 V 7.96 3.69 2.29 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 0.96 0.00 0.00 1.24 0.00 0.00 29 N 9.09 4.52 0.00 2.85 2.87 0.00 0.00 7.14 6.69 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 30 L 7.78 4.23 0.00 1.89 1.73 0.82 1.01 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 31 G 8.10 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 0.00 0.00 0.00 0.00 32 L 7.93 3.96 0.00 1.64 1.60 0.63 -0.17 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 33 I 7.69 4.13 2.22 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.97 0.00 0.00 34 Y 8.72 4.89 0.00 2.98 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 35 D 7.92 4.90 0.00 2.89 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 L 8.44 4.94 0.00 1.22 1.26 0.63 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.24 4.37 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 0.75 0.00 0.00 1.03 0.00 0.00 38 V 8.72 4.52 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 0.84 0.00 0.00 0.81 0.00 0.00 39 E 9.18 4.56 0.00 1.99 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 0.00 2.21 2.25 0.00 40 P 0.00 4.35 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 41 P 0.00 5.57 0.00 2.11 2.24 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 42 R 8.31 5.27 0.00 1.81 1.85 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 1.53 1.68 0.00 43 A 8.80 5.08 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 44 Y 9.43 5.31 0.00 2.96 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 45 V 8.05 4.52 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 0.48 0.00 0.00 0.71 0.00 0.00 46 R 8.26 4.97 0.00 1.81 1.82 0.00 3.29 0.00 0.00 3.37 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 0.00 *48 T 8.08 4.06 3.76 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 0.95 0.00 0.00 49 L 7.82 4.68 0.00 1.80 1.51 0.99 0.72 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 50 T 8.01 3.58 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 0.21 0.00 0.00 51 T 7.44 4.78 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 1.24 0.00 0.00 52 P 0.00 3.71 0.00 1.97 1.92 0.00 3.74 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 1.91 1.91 0.00 53 G 7.51 3.86 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 0.00 0.00 0.00 54 C 8.22 4.61 0.00 3.02 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 55 P 0.00 4.59 0.00 2.33 2.07 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 56 L 8.52 3.98 0.00 1.62 1.71 0.80 0.91 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 57 H 7.87 4.76 0.00 3.13 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.41 4.65 0.00 2.73 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 59 S 7.91 4.12 0.00 3.89 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 60 L 7.87 4.00 0.00 1.69 1.58 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.27 3.73 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 0.00 0.00 0.00 62 E 8.25 3.92 0.00 2.16 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 0.00 2.29 2.35 0.00 63 A 8.10 3.98 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 64 V 7.90 3.47 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 0.86 0.00 0.00 0.87 0.00 0.00 65 R 7.98 3.79 0.00 1.96 2.01 0.00 3.28 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 66 Q 7.94 3.95 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 67 A 7.95 4.12 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 68 L 7.87 3.96 0.00 1.77 1.65 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.79 4.26 0.00 4.02 4.07 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 70 R 7.61 4.06 0.00 1.93 2.02 0.00 3.32 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 71 L 7.45 4.17 0.00 1.78 1.55 0.85 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.32 0.00 2.03 1.98 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 73 G 8.86 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 0.00 0.00 0.00 74 V 7.15 4.45 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 0.82 0.00 0.00 0.91 0.00 0.00 75 E 8.48 4.40 0.00 1.88 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 2.26 2.29 0.00 76 E 8.40 4.60 0.00 2.00 1.73 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 2.20 2.23 0.00 77 V 8.53 4.77 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 0.78 0.00 0.00 0.90 0.00 0.00 78 E 9.30 4.47 0.00 2.12 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 2.33 2.30 0.00 79 V 8.37 4.46 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 0.73 0.00 0.00 0.82 0.00 0.00 80 E 8.98 4.55 0.00 1.77 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 2.32 2.58 0.00 81 V 8.22 4.14 1.90 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 0.38 0.00 0.00 0.86 0.00 0.00 82 T 7.98 4.50 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 1.36 0.00 0.00 83 F 8.67 5.00 0.00 3.15 3.04 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 84 E 8.35 4.67 0.00 2.02 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 2.33 0.00 85 P 0.00 4.66 0.00 2.17 2.00 0.00 3.28 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 86 P 0.00 4.76 0.00 2.33 2.23 0.00 3.83 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 2.02 0.00 87 W 8.94 4.51 0.00 3.39 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 88 T 6.77 4.21 3.99 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 0.00 0.00 1.12 0.00 0.00 89 L 7.75 3.49 0.00 1.56 1.66 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.24 4.00 1.16 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 0.00 0.00 91 R 7.57 4.24 0.00 1.75 2.11 0.00 3.14 0.00 0.00 3.52 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 92 L 7.55 4.37 0.00 1.79 1.64 1.32 0.93 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 93 S 8.37 4.51 0.00 3.96 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 94 E 8.73 4.03 0.00 1.91 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 2.28 2.36 0.00 95 K 8.28 3.92 0.00 1.75 1.99 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.47 7.81 96 A 7.74 4.21 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 * Residues marked with a * may have inaccurate shift predictions.