NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1178 8.1849 122.4789 55.0405 43.1307 175.9881 4 T 4.3732 8.0263 122.0607 59.7342 70.1278 171.5809 5 P 4.6436 0.0000 0.0000 62.7414 33.6037 175.3006 6 T 4.9685 9.7090 120.3756 62.5207 70.5501 174.3353 7 V 5.4238 8.8033 125.8707 59.9434 35.7951 173.7318 *9 V 4.2411 8.0615 119.7635 62.9619 32.8009 174.4743 10 V 5.1504 8.7089 129.3193 61.4281 32.7522 173.7502 11 D 4.5872 8.2664 125.1789 53.4026 43.9189 176.3082 12 E 4.1786 8.8450 124.8199 58.8772 30.1356 177.6628 13 S 4.3654 8.8764 115.0725 57.7652 63.0954 174.6876 14 R 3.0167 8.6295 129.6374 58.9180 29.9092 178.2626 15 I 3.5427 7.5404 119.4887 64.5378 37.1376 178.2796 16 T 3.7220 7.6958 116.4123 66.3986 68.1968 176.4517 17 F 4.1362 7.6837 122.0777 61.3571 39.2704 177.1683 18 L 3.2809 7.8151 118.5863 57.3158 41.3349 179.3707 19 A 3.8245 7.8319 120.6939 55.1587 18.4173 179.8229 20 V 3.4613 7.8135 116.7280 65.8723 31.5521 178.0708 21 K 3.7481 7.7929 119.4032 59.6642 31.7821 178.5139 22 N 4.3312 8.1414 115.4792 56.2697 38.4867 177.0041 23 A 4.1552 7.9976 121.1883 54.0411 18.7160 178.6119 24 L 4.5782 7.7507 116.7544 55.7394 43.5007 178.1732 25 E 4.1351 8.5571 117.9972 59.9787 29.0495 179.6436 26 K 4.1068 8.0225 118.3651 57.5623 32.3654 177.0737 27 D 4.7442 8.2804 118.0513 53.8392 41.2376 175.9207 28 G 3.6425 8.1760 103.9764 46.2546 0.0000 173.4802 29 F 4.9564 7.9696 115.8863 55.2048 42.8969 175.0057 30 N 4.7667 9.5428 122.3443 52.4193 39.9918 173.5039 31 V 4.9962 8.4465 127.0899 61.2875 32.9709 174.8155 32 I 4.7529 8.9010 121.4165 58.7637 40.5458 174.3899 33 W 4.9105 8.2723 132.5838 55.4509 32.8824 174.4911 34 A 4.6886 8.8989 128.6900 49.8470 20.6179 177.0113 35 K 4.2480 8.5804 122.1973 58.5085 33.2572 176.7144 36 N 4.9489 7.4437 116.4088 50.7267 41.3006 174.6522 37 E 4.0919 8.8517 119.0807 59.7776 29.5244 179.4704 38 Q 4.1192 8.2275 117.3705 59.3073 28.9983 178.8256 39 E 3.9085 8.8210 119.4046 59.1684 29.4088 179.2463 40 A 4.0414 8.0736 120.8597 55.4229 18.4998 179.7847 41 F 4.0964 8.4339 116.2519 60.4201 37.4176 178.1492 42 T 3.9232 7.9588 109.8025 64.7087 68.3878 176.7419 43 F 4.2614 8.0262 120.2642 60.3998 38.8039 177.7504 44 L 3.7108 7.8132 117.2109 57.4313 41.3367 179.1213 45 R 4.4197 8.0051 115.8580 57.3959 30.2999 177.1617 46 R 4.5738 7.3028 116.5753 56.4128 32.3773 176.0666 47 E 4.7778 8.4334 113.8275 53.8818 32.6580 175.3260 48 K 4.1075 8.6226 120.6368 56.4823 32.7596 176.4838 49 I 4.4680 7.9491 123.7081 59.5392 39.7800 175.3694 50 D 4.5819 8.7012 125.1782 56.8737 42.3594 176.2503 51 L 5.0141 7.9533 119.1063 53.4056 46.0969 174.9666 52 V 4.5698 8.6312 125.5755 61.0464 34.7508 173.8738 53 F 5.1647 8.6779 125.9096 56.0042 41.2362 174.6167 54 V 4.6982 8.6772 123.7828 60.9067 34.1494 173.8470 55 D 5.6926 8.7970 128.7399 53.0393 41.5937 175.9463 56 V 4.6779 8.6695 125.4004 61.1778 32.4156 177.2017 57 F 4.5238 9.1589 117.9857 61.1830 37.6535 176.7875 58 E 3.8763 7.4399 117.8638 55.6319 30.1032 177.6667 59 G 3.9052 7.7073 112.3572 46.6246 0.0000 177.6950 60 E 3.9756 8.9346 126.2947 58.8698 29.0710 177.4966 61 E 3.9448 7.9590 119.7702 59.2575 29.6519 178.9638 62 S 4.2219 7.9943 115.2945 61.5729 62.9130 176.6628 63 L 4.0851 7.9154 121.3101 57.7060 41.4584 178.8029 64 N 4.3409 8.5736 117.4998 56.5348 38.7840 176.7092 65 L 4.1244 8.1344 121.7811 58.2632 42.2768 178.8667 66 I 3.7459 7.9272 119.7366 64.6901 37.0315 178.6801 67 R 4.0065 8.2070 118.7608 59.1621 29.8014 179.1476 68 R 3.9737 8.2973 118.6102 59.4397 30.1327 178.6373 69 I 4.0145 8.2926 119.9275 64.6864 36.6252 178.6715 70 R 4.0923 8.2342 119.1285 59.0722 29.6278 179.0172 71 E 4.0157 8.2717 116.7969 59.5183 29.9330 178.6864 72 E 3.9755 8.2928 118.4822 57.2888 31.1374 177.2009 73 F 4.9020 8.5440 117.4207 54.5047 39.4968 173.4696 74 P 4.5004 0.0000 0.0000 64.8060 31.4219 177.8335 75 D 4.6261 8.0985 116.0949 54.9314 41.2479 175.7291 76 T 4.4878 8.0055 117.8495 62.2227 69.5677 174.8263 77 K 4.4105 8.6405 126.2149 55.6941 34.2045 176.0419 78 V 4.8314 8.2290 121.8983 61.0974 34.9576 174.0086 79 A 5.0855 8.7077 127.8467 50.2063 22.9585 174.8616 80 V 4.7270 8.7778 120.0973 61.4126 34.2474 174.6887 81 L 5.1765 8.5636 125.8331 53.0362 44.7701 175.5527 82 S 4.9706 8.6244 116.9839 56.8258 65.9416 174.4902 83 A 4.3813 8.5213 125.7869 52.6911 18.8743 177.2938 84 Y 4.9259 7.7954 112.7325 56.0771 41.3739 175.1984 85 V 4.6780 8.4765 116.2418 59.8246 33.9360 175.5710 86 D 4.6841 8.2071 122.1070 51.3833 45.1843 175.3769 87 K 3.7373 8.7917 127.8215 60.1085 32.1275 178.6573 88 D 4.3329 8.1107 118.2892 57.3062 40.8164 178.5737 89 L 4.0767 8.0940 119.2481 57.7328 41.6000 179.6741 90 I 3.3775 7.7552 119.8152 64.2886 36.9656 178.2214 91 I 3.6917 7.7848 120.6395 64.8679 37.0372 178.3231 92 N 4.3726 8.5442 117.2463 56.2458 38.3049 177.8280 93 S 4.1901 8.2560 116.7216 61.7090 63.0482 176.8868 94 V 4.1142 7.9025 122.2413 65.5182 31.0431 178.1378 95 K 3.9959 8.2624 117.4504 59.4106 31.9599 178.8172 96 A 4.2442 7.8032 119.9123 53.2439 18.4447 177.0784 97 G 3.4824 7.5266 104.6385 44.9323 0.0000 174.2049 98 A 4.4623 8.3624 123.8364 52.1891 19.3478 178.6419 99 V 4.3620 8.6827 113.2701 61.3668 32.8164 175.1547 100 D 4.6918 7.6375 118.8563 53.6497 44.7918 173.4546 101 Y 5.0831 8.6351 123.0644 56.2492 41.6628 174.0406 102 I 4.7763 8.9328 128.1222 59.2757 40.4144 174.8945 103 L 4.8363 8.8297 129.1650 54.6947 42.8592 175.8325 104 K 4.9908 9.0239 125.3236 53.9878 35.6346 174.0413 105 P 3.9604 0.0000 0.0000 62.7861 31.7456 175.3403 106 F 5.0431 6.9451 114.2660 54.4531 41.0727 175.4588 107 R 4.2733 8.4445 120.3241 55.8405 32.0332 177.9989 108 L 4.1557 8.5096 122.8301 58.0207 41.8031 179.6243 109 D 4.3874 8.1070 118.7488 56.5046 39.4452 177.8365 110 Y 4.0452 8.0288 120.4914 60.2910 38.8808 177.4874 111 L 3.5500 7.8848 121.2402 57.9101 42.0484 178.4966 112 L 3.7877 7.6819 120.3636 58.1980 41.9802 178.8265 113 E 3.9042 8.0132 117.4003 59.4801 29.4582 179.3464 114 R 3.7040 7.6592 119.0096 58.7414 29.9906 179.1275 115 V 3.4384 7.9223 118.4024 65.9573 31.5007 178.0821 116 K 4.0385 8.1645 118.3670 59.5426 31.3929 179.1961 117 K 3.9658 8.0251 119.7776 59.4972 31.8493 179.0337 118 I 3.7775 7.5571 119.4126 64.3040 37.0995 178.1570 119 I 3.9074 7.9216 120.3862 64.3713 36.9990 178.0993 120 S 4.2422 7.8840 114.1421 60.5954 62.7950 174.2932 121 S 4.1333 7.8229 120.7470 57.8647 62.5222 174.1724 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 3 L 8.18 4.12 0.00 1.56 1.58 0.90 0.56 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 4 T 8.03 4.37 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 1.15 0.00 0.00 5 P 0.00 4.64 0.00 2.36 2.05 0.00 3.14 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 2.00 2.05 0.00 6 T 9.71 4.97 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 1.21 0.00 0.00 7 V 8.80 5.42 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 1.41 0.00 0.00 0.89 0.00 0.00 *9 V 8.06 4.24 2.42 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 1.14 0.00 0.00 1.14 0.00 0.00 10 V 8.71 5.15 2.22 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 0.97 0.00 0.00 0.91 0.00 0.00 11 D 8.27 4.59 0.00 2.80 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 12 E 8.84 4.18 0.00 1.94 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 2.42 2.36 0.00 13 S 8.88 4.37 0.00 3.81 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 14 R 8.63 3.02 0.00 1.72 1.77 0.00 3.26 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.00 15 I 7.54 3.54 1.75 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 1.55 0.32 0.76 0.00 0.00 16 T 7.70 3.72 4.36 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 1.28 0.00 0.00 17 F 7.68 4.14 0.00 2.27 2.33 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 18 L 7.82 3.28 0.00 1.60 1.45 0.78 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.83 3.82 1.11 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 20 V 7.81 3.46 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 0.91 0.00 0.00 0.80 0.00 0.00 21 K 7.79 3.75 0.00 1.20 1.48 0.00 1.45 0.00 0.00 1.28 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.35 7.81 22 N 8.14 4.33 0.00 2.75 2.81 0.00 0.00 7.09 7.06 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 23 A 8.00 4.16 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 24 L 7.75 4.58 0.00 1.69 1.63 0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.56 4.14 0.00 2.15 2.27 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 2.45 2.39 0.00 26 K 8.02 4.11 0.00 1.78 1.92 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 27 D 8.28 4.74 0.00 2.71 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 28 G 8.18 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 0.00 0.00 0.00 29 F 7.97 4.96 0.00 2.98 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 30 N 9.54 4.77 0.00 2.81 2.85 0.00 0.00 6.59 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 31 V 8.45 5.00 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 1.05 0.00 0.00 0.98 0.00 0.00 32 I 8.90 4.75 1.34 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.80 0.00 0.00 33 W 8.27 4.91 0.00 1.78 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 0.00 0.00 0.00 0.00 34 A 8.90 4.69 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 35 K 8.58 4.25 0.00 1.81 1.00 0.00 1.22 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.16 7.81 36 N 7.44 4.95 0.00 3.02 3.15 0.00 0.00 6.28 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 37 E 8.85 4.09 0.00 2.16 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 0.00 2.58 2.55 0.00 38 Q 8.23 4.12 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 39 E 8.82 3.91 0.00 2.09 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 0.00 2.21 2.38 0.00 40 A 8.07 4.04 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 41 F 8.43 4.10 0.00 3.16 3.18 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 0.00 42 T 7.96 3.92 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 1.22 0.00 0.00 43 F 8.03 4.26 0.00 3.24 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 44 L 7.81 3.71 0.00 1.42 0.31 0.30 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.01 4.42 0.00 1.97 2.07 0.00 3.19 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 46 R 7.30 4.57 0.00 1.86 1.96 0.00 3.11 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 47 E 8.43 4.78 0.00 2.00 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 0.00 2.48 2.27 0.00 48 K 8.62 4.11 0.00 1.77 1.80 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 49 I 7.95 4.47 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.86 0.00 0.00 50 D 8.70 4.58 0.00 2.77 2.71 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 51 L 7.95 5.01 0.00 1.54 1.26 0.58 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.63 4.57 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 0.94 0.00 0.00 0.79 0.00 0.00 53 F 8.68 5.16 0.00 3.03 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 54 V 8.68 4.70 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 1.06 0.00 0.00 0.96 0.00 0.00 55 D 8.80 5.69 0.00 2.72 2.37 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 56 V 8.67 4.68 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 1.20 0.00 0.00 1.06 0.00 0.00 57 F 9.16 4.52 0.00 3.36 3.32 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 0.00 58 E 7.44 3.88 0.00 1.67 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 1.50 1.47 0.00 59 G 7.71 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 60 E 8.93 3.98 0.00 2.09 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 2.38 2.44 0.00 61 E 7.96 3.94 0.00 2.03 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 0.00 2.35 2.49 0.00 62 S 7.99 4.22 0.00 4.19 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 63 L 7.92 4.09 0.00 1.89 1.76 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.57 4.34 0.00 2.87 3.07 0.00 0.00 6.84 6.52 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 65 L 8.13 4.12 0.00 2.00 1.98 1.12 0.96 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 66 I 7.93 3.75 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.04 0.96 0.00 0.00 67 R 8.21 4.01 0.00 2.06 2.02 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 68 R 8.30 3.97 0.00 2.08 2.34 0.00 2.92 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 69 I 8.29 4.01 2.08 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.94 0.00 0.00 70 R 8.23 4.09 0.00 2.03 2.02 0.00 3.41 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 71 E 8.27 4.02 0.00 2.11 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 0.00 2.57 2.40 0.00 72 E 8.29 3.98 0.00 2.04 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 2.21 2.31 0.00 73 F 8.54 4.90 0.00 3.14 2.94 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 74 P 0.00 4.50 0.00 2.19 2.22 0.00 3.43 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 75 D 8.10 4.63 0.00 2.75 2.77 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 76 T 8.01 4.49 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 1.17 0.00 0.00 77 K 8.64 4.41 0.00 1.76 1.63 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.35 7.81 78 V 8.23 4.83 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 0.88 0.00 0.00 0.91 0.00 0.00 79 A 8.71 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.78 4.73 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 0.43 0.00 0.00 0.99 0.00 0.00 81 L 8.56 5.18 0.00 1.58 1.46 0.71 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.62 4.97 0.00 3.73 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 83 A 8.52 4.38 0.60 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 0.00 0.00 84 Y 7.80 4.93 0.00 3.01 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 85 V 8.48 4.68 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 0.89 0.00 0.00 1.00 0.00 0.00 86 D 8.21 4.68 0.00 2.78 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 87 K 8.79 3.74 0.00 1.83 1.78 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.52 7.81 88 D 8.11 4.33 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.08 0.00 1.95 1.96 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.76 3.38 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.19 0.78 0.00 0.00 91 I 7.78 3.69 2.01 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 1.51 0.87 0.92 0.00 0.00 92 N 8.54 4.37 0.00 2.82 2.91 0.00 0.00 7.13 7.29 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 93 S 8.26 4.19 0.00 4.30 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 94 V 7.90 4.11 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 1.41 0.00 0.00 1.05 0.00 0.00 95 K 8.26 4.00 0.00 2.00 1.89 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.60 7.81 96 A 7.80 4.24 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.53 3.48 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 0.00 0.00 0.00 98 A 8.36 4.46 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 99 V 8.68 4.36 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 0.67 0.00 0.00 0.95 0.00 0.00 100 D 7.64 4.69 0.00 2.68 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 0.00 101 Y 8.64 5.08 0.00 3.00 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 0.00 102 I 8.93 4.78 1.81 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 1.23 0.95 0.93 0.00 0.00 103 L 8.83 4.84 0.00 1.76 1.63 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.02 4.99 0.00 1.72 2.01 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.25 7.81 105 P 0.00 3.96 0.00 1.99 1.88 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 106 F 6.95 5.04 0.00 3.14 3.31 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 0.00 107 R 8.44 4.27 0.00 2.04 2.14 0.00 3.10 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 108 L 8.51 4.16 0.00 1.72 1.74 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.11 4.39 0.00 2.99 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 0.00 110 Y 8.03 4.05 0.00 3.10 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 0.00 111 L 7.88 3.55 0.00 1.33 1.54 -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.68 3.79 0.00 1.92 1.78 1.09 1.02 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 0.00 113 E 8.01 3.90 0.00 2.25 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 0.00 2.20 2.37 0.00 114 R 7.66 3.70 0.00 1.69 1.98 0.00 3.02 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.86 0.00 115 V 7.92 3.44 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 0.46 0.00 0.00 0.91 0.00 0.00 116 K 8.16 4.04 0.00 2.00 1.90 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.75 7.81 117 K 8.03 3.97 0.00 1.94 1.97 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 118 I 7.56 3.78 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.81 0.00 0.00 119 I 7.92 3.91 2.10 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 1.96 1.13 0.98 0.00 0.00 120 S 7.88 4.24 0.00 4.03 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 0.00 121 S 7.82 4.13 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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.