NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5073 8.2493 123.5816 51.7985 19.5696 177.2368 3 S 4.1830 8.5440 118.6438 57.1663 65.1087 173.3158 4 L 3.8330 8.4544 123.6601 58.3065 42.0208 180.1241 5 K 3.8766 7.8003 118.7394 59.5863 32.1572 178.2044 6 E 3.9716 8.1257 118.7466 59.5814 29.3381 179.5490 7 I 3.7277 7.7620 119.5756 64.3938 37.2267 178.4084 8 I 3.7251 8.2988 120.8863 64.5900 36.9936 178.1603 9 D 4.4860 8.8725 119.7864 57.5767 40.7265 178.6964 10 E 4.0278 8.6917 119.3433 59.6322 29.4046 179.5953 11 L 4.2142 8.6042 119.4854 57.4287 41.5110 179.8132 12 G 3.6337 8.3940 105.8783 47.8120 0.0000 175.6616 13 K 3.9617 8.1179 122.8025 58.9586 32.0162 178.7206 14 Q 3.8959 8.1500 119.5709 59.2553 28.6547 177.9033 15 A 4.4618 8.2288 123.2645 54.0361 18.0046 179.5716 16 K 3.8962 7.5622 117.4815 59.6606 32.6260 178.7413 17 E 4.1250 8.0817 116.9156 58.5047 29.4136 177.6452 18 Q 4.4498 7.5028 114.6618 54.2118 30.8865 174.5388 19 N 4.1618 7.7538 115.0666 53.4684 37.9659 172.9903 20 K 4.6048 7.5521 113.1755 55.2158 36.4281 175.1846 21 I 4.1435 8.4312 120.9655 62.4131 37.6505 175.2603 22 A 4.8955 9.0984 127.8619 50.3072 21.9543 175.1540 23 S 5.2435 8.5189 115.8299 57.2575 67.5975 173.5338 24 R 4.6558 8.6588 120.8711 55.1015 33.9047 174.1720 25 I 4.3755 8.4146 127.3769 61.4249 37.7108 175.7093 26 L 4.0880 8.7774 128.2262 54.2601 42.1738 178.4597 27 K 4.2889 8.1614 124.3237 54.8184 30.6381 175.3552 28 I 3.7208 7.2202 121.6200 60.4458 37.9137 176.0085 29 K 4.0129 8.5550 127.4465 57.9111 32.4288 176.7787 30 G 4.0295 8.9347 114.4268 45.1575 0.0000 173.5432 31 I 4.0804 6.9674 120.0102 61.2414 37.6536 176.1657 32 K 4.2711 9.4633 125.5139 58.4604 32.5249 177.7450 33 R 5.1929 9.0892 115.6114 56.3577 34.0562 175.5250 34 I 4.2938 8.1783 118.6977 60.8725 38.2865 175.6906 35 V 4.4420 9.1447 126.4570 61.1085 34.2670 174.1855 36 V 4.7743 8.3096 127.0372 61.3264 33.5643 173.7682 37 Q 5.0460 9.1261 129.5068 54.2308 31.3371 174.2173 38 L 4.8420 9.1597 128.9027 54.1308 44.1969 174.7162 39 N 5.6368 9.6440 123.0331 51.4381 42.1363 173.0709 40 A 4.4061 9.2054 126.0209 50.2253 21.1136 175.6686 41 V 4.5252 8.5614 123.8763 60.6877 33.9457 172.5198 42 P 5.8500 0.0000 0.0000 60.3851 33.0542 175.8525 *46 K 4.1719 8.5974 120.4906 56.1180 34.3451 174.7274 47 I 4.7114 7.5673 120.6058 59.6722 39.2623 174.8003 48 R 4.8337 8.5502 124.0672 54.5676 33.7259 174.4848 49 Y 5.1998 8.8677 119.7890 56.6715 40.9979 174.6509 50 S 4.6912 8.9447 117.9347 57.9442 67.7069 173.1231 *52 T 4.4568 8.5650 108.4393 61.6196 70.3054 173.2764 53 I 5.0232 8.0372 115.4713 59.8820 40.3673 174.3554 54 H 4.8954 8.8949 119.7051 54.3365 33.6732 172.7222 55 S 5.1129 8.5611 116.1288 57.5727 64.7631 175.0397 56 Q 4.3992 8.7376 120.3962 58.6267 28.9429 177.6669 57 N 4.6136 8.3477 116.2899 54.0108 38.9664 174.9512 58 N 5.0533 8.2002 116.0726 51.0333 38.8309 174.4942 59 F 4.9318 8.2591 121.9196 60.4923 40.1990 176.2778 60 R 4.1012 7.9589 117.4538 57.2122 30.4758 176.5891 61 K 4.3803 7.3144 116.6895 54.5228 33.4601 176.1735 62 Q 3.9771 8.2597 121.6983 55.8506 29.4676 175.7325 63 I 3.7019 8.2696 125.7167 60.8400 38.5969 175.0717 64 G 3.9792 8.5162 117.1515 43.8098 0.0000 173.1945 65 I 4.2806 8.1181 119.5905 60.1735 39.0780 174.8271 66 T 4.7544 8.7646 111.6971 58.5432 72.1913 173.0654 67 P 4.3112 0.0000 0.0000 65.4285 30.9241 178.6132 68 Q 4.1856 7.5340 114.7650 58.4262 28.7128 177.3368 69 D 4.6217 8.1578 120.0418 54.4858 41.0557 177.6000 70 A 4.0137 7.8246 123.1471 55.5600 18.3956 179.8391 71 E 3.9510 8.1201 116.3092 59.4964 29.5240 178.9562 72 D 4.4038 8.1358 118.4974 57.6245 40.9214 178.8817 73 L 4.0044 8.0352 119.1956 57.6808 41.4914 179.7708 74 K 4.0249 8.1678 118.5670 59.4798 32.0106 179.4572 75 L 4.0606 8.1534 119.2893 57.6648 41.4164 179.6682 76 I 3.8136 8.1573 120.0297 64.1476 37.0610 178.1841 77 A 4.0349 8.2031 121.6790 55.3978 18.1718 179.5031 78 E 3.9593 8.4854 117.2304 59.5757 29.5790 179.4940 79 F 4.2386 8.5357 120.7059 61.1405 39.3632 177.2215 80 L 3.9435 8.4281 118.8503 57.9536 41.2527 179.4076 81 E 3.9484 8.0541 117.1601 59.2595 29.4520 179.0280 82 K 3.9030 8.1239 119.0253 58.6805 32.4006 177.4713 83 Y 4.4815 7.2929 113.9108 57.3893 38.2618 177.1906 84 S 4.1315 7.6633 116.3853 61.8099 62.5358 175.9692 85 D 4.3603 8.0609 120.6376 57.2934 40.8103 178.1738 86 F 4.2578 8.3606 120.5562 61.6740 39.3778 176.9909 87 L 3.7762 8.3708 118.4893 57.8815 41.2595 179.2388 88 N 4.5640 8.3591 115.0210 55.4518 38.5810 176.5209 89 E 4.2563 7.7650 118.3047 57.5625 29.9720 176.8139 90 Y 4.2275 7.2191 117.9358 57.1974 39.9322 175.3361 91 V 4.3545 7.0527 110.4269 59.1826 35.7715 174.3685 92 K 4.5535 8.1490 119.7246 54.9209 34.3815 176.4359 93 F 5.1887 8.6043 122.8258 56.3137 40.9114 175.3359 94 T 4.0483 8.9593 115.7256 61.6721 67.8673 172.5432 95 P 4.4473 0.0000 0.0000 62.7080 31.1690 175.8063 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 2 A 8.25 4.51 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 3 S 8.54 4.18 0.00 3.97 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 4 L 8.45 3.83 0.00 1.44 1.39 0.97 -0.14 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 5 K 7.80 3.88 0.00 1.55 1.62 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.34 7.81 6 E 8.13 3.97 0.00 2.25 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 2.34 2.35 0.00 7 I 7.76 3.73 2.05 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 1.54 0.84 0.96 0.00 0.00 8 I 8.30 3.73 2.14 0.00 0.00 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 1.23 1.09 0.83 0.00 0.00 9 D 8.87 4.49 0.00 2.87 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 10 E 8.69 4.03 0.00 2.06 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 2.36 2.53 0.00 11 L 8.60 4.21 0.00 1.89 1.83 1.09 0.79 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 12 G 8.39 3.63 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 0.00 0.00 0.00 13 K 8.12 3.96 0.00 1.98 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 Q 8.15 3.90 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 15 A 8.23 4.46 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 16 K 7.56 3.90 0.00 1.79 1.99 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 E 8.08 4.12 0.00 1.99 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 2.35 2.49 0.00 18 Q 7.50 4.45 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 19 N 7.75 4.16 0.00 2.83 2.83 0.00 0.00 6.94 6.56 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 20 K 7.55 4.60 0.00 1.82 1.83 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.46 7.81 21 I 8.43 4.14 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 1.26 0.52 0.91 0.00 0.00 22 A 9.10 4.90 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 23 S 8.52 5.24 0.00 3.74 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 24 R 8.66 4.66 0.00 1.91 1.75 0.00 3.11 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 25 I 8.41 4.38 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.92 0.00 0.00 26 L 8.78 4.09 0.00 1.31 1.37 0.87 0.89 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 27 K 8.16 4.29 0.00 1.71 1.74 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 28 I 7.22 3.72 1.71 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 0.35 0.66 0.87 0.00 0.00 29 K 8.55 4.01 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 30 G 8.93 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 31 I 6.97 4.08 1.86 0.00 0.00 0.82 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 0.71 1.08 0.00 0.00 32 K 9.46 4.27 0.00 1.71 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 33 R 9.09 5.19 0.00 1.79 1.83 0.00 3.29 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 34 I 8.18 4.29 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 1.23 0.80 0.91 0.00 0.00 35 V 9.14 4.44 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 1.05 0.00 0.00 36 V 8.31 4.77 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 0.98 0.00 0.00 0.88 0.00 0.00 37 Q 9.13 5.05 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.47 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 38 L 9.16 4.84 0.00 1.86 1.60 1.22 0.57 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 39 N 9.64 5.64 0.00 2.65 2.69 0.00 0.00 6.54 7.12 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 40 A 9.21 4.41 1.04 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 41 V 8.56 4.53 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 1.04 0.00 0.00 0.90 0.00 0.00 42 P 0.00 5.85 0.00 2.04 1.95 0.00 3.15 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 *46 K 8.60 4.17 0.00 1.95 2.10 0.00 1.42 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 47 I 7.57 4.71 1.77 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 1.30 0.58 0.48 0.00 0.00 48 R 8.55 4.83 0.00 1.62 1.77 0.00 3.38 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 49 Y 8.87 5.20 0.00 2.50 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 50 S 8.94 4.69 0.00 3.94 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 *52 T 8.56 4.46 4.16 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 1.23 0.00 0.00 53 I 8.04 5.02 1.83 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 1.28 0.61 0.89 0.00 0.00 54 H 8.89 4.90 0.00 2.97 2.64 0.00 5.60 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.56 5.11 0.00 3.93 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 56 Q 8.74 4.40 0.00 2.18 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 57 N 8.35 4.61 0.00 2.87 3.00 0.00 0.00 5.83 8.04 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 58 N 8.20 5.05 0.00 2.73 2.76 0.00 0.00 6.52 7.89 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 59 F 8.26 4.93 0.00 2.97 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 60 R 7.96 4.10 0.00 1.87 1.98 0.00 3.47 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 61 K 7.31 4.38 0.00 1.77 1.73 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.37 7.81 62 Q 8.26 3.98 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 63 I 8.27 3.70 1.81 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 1.33 0.91 0.85 0.00 0.00 64 G 8.52 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 0.00 0.00 0.00 65 I 8.12 4.28 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 1.46 0.65 0.90 0.00 0.00 66 T 8.76 4.75 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 67 P 0.00 4.31 0.00 2.18 2.14 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 68 Q 7.53 4.19 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 69 D 8.16 4.62 0.00 2.85 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 70 A 7.82 4.01 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 71 E 8.12 3.95 0.00 2.00 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 2.40 2.35 0.00 72 D 8.14 4.40 0.00 2.85 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 73 L 8.04 4.00 0.00 1.87 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.17 4.02 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.71 7.81 75 L 8.15 4.06 0.00 1.86 1.75 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.16 3.81 2.04 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 1.43 0.73 0.97 0.00 0.00 77 A 8.20 4.03 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 78 E 8.49 3.96 0.00 2.08 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 2.35 2.47 0.00 79 F 8.54 4.24 0.00 3.32 3.37 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 80 L 8.43 3.94 0.00 1.94 1.72 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.05 3.95 0.00 2.07 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 2.34 2.45 0.00 82 K 8.12 3.90 0.00 1.60 1.77 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.35 1.07 7.81 83 Y 7.29 4.48 0.00 2.76 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 84 S 7.66 4.13 0.00 4.00 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 85 D 8.06 4.36 0.00 2.77 2.75 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 86 F 8.36 4.26 0.00 3.11 3.35 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 87 L 8.37 3.78 0.00 1.90 2.01 1.09 1.06 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 88 N 8.36 4.56 0.00 2.81 2.93 0.00 0.00 7.05 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 89 E 7.76 4.26 0.00 1.94 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 2.52 2.49 0.00 90 Y 7.22 4.23 0.00 1.99 2.10 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 91 V 7.05 4.35 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 0.26 0.00 0.00 0.17 0.00 0.00 92 K 8.15 4.55 0.00 1.61 1.67 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.35 7.81 93 F 8.60 5.19 0.00 3.02 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 94 T 8.96 4.05 4.42 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 1.31 0.00 0.00 95 P 0.00 4.45 0.00 2.10 1.97 0.00 3.79 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 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.