NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4184 8.1749 115.2529 62.5634 67.2209 173.5525 -4 E 5.3148 8.4391 125.0516 56.5518 31.8345 174.2165 -3 F 4.9740 8.8904 121.3901 56.4509 43.3876 173.6184 -2 K 4.0952 7.3932 125.1711 53.8316 35.9830 176.0463 -1 A 3.9798 7.4263 124.8987 51.8298 19.2425 177.4172 -4 G 4.9248 8.3491 113.6516 45.0518 0.0000 172.5165 -3 S 4.8240 8.9004 116.7901 57.0509 67.5876 172.4184 -2 A 4.0952 7.3432 128.5711 50.1316 21.9830 177.2463 -1 K 3.9798 7.4763 121.4987 55.5298 33.2425 176.2172 5 K 4.2049 8.1076 119.4003 59.1980 32.1780 178.9563 6 G 3.6834 8.0572 105.6252 47.7496 0.0000 175.4298 7 A 2.5800 7.7956 122.9565 54.2540 18.3031 179.3950 8 T 3.9889 7.6253 107.5377 64.2421 69.3556 177.1410 9 L 4.0789 7.6158 123.1245 56.8093 41.5228 179.1457 10 F 3.9815 7.9554 120.6768 61.1254 39.0924 177.2922 11 K 3.9481 8.0560 118.2841 59.8528 31.8219 179.5646 12 T 3.9689 8.2077 109.8015 63.7785 68.5335 175.7153 13 R 4.4257 8.2724 117.7928 55.5537 32.4525 175.7814 14 C 4.2665 7.7938 114.2257 59.4988 30.4835 175.9858 15 L 4.0005 6.6033 120.9799 57.1147 41.8620 178.5528 16 Q 3.8216 7.9680 118.7062 58.7503 29.0505 176.4555 17 C 4.8420 7.9194 111.7908 59.6163 30.1128 173.5995 18 H 5.3635 8.0157 115.5012 54.3021 33.3105 172.4375 19 T 4.8849 8.6721 109.9736 60.3821 71.6476 174.8138 20 V 4.2429 8.1732 114.0373 61.1819 34.1421 176.6655 21 E 4.0884 7.9523 118.1687 55.1861 30.2543 175.9885 22 K 3.7103 8.0442 122.9701 58.4161 32.2718 176.7922 23 G 3.9196 9.0914 114.7532 45.1196 0.0000 173.0773 24 G 3.8906 7.8655 108.8527 43.9595 0.0000 172.2388 25 P 4.6199 0.0000 0.0000 61.3151 32.9649 175.4965 26 H 4.6933 8.3300 116.4982 56.0445 30.3281 174.6985 27 K 4.7111 8.2928 123.0499 56.1033 32.2237 178.1092 28 V 3.7210 9.0323 126.4747 66.1478 31.4292 175.7684 29 G 3.9322 8.1477 108.1928 42.1661 0.0000 170.9393 30 P 4.1694 0.0000 0.0000 61.7648 31.8603 175.6662 31 N 4.6181 8.7831 118.0380 53.8428 39.5567 174.6650 32 L 4.3884 8.8448 124.4152 54.5915 42.1632 176.0468 33 H 4.2025 8.1003 119.4443 57.6901 28.9390 174.9503 34 G 3.9725 9.0097 113.5338 46.3971 0.0000 175.2800 35 I 3.7705 7.5850 122.7326 63.4868 38.0532 176.5112 36 F 4.6424 7.2555 117.0322 58.7080 38.9401 175.6706 37 G 4.0174 10.3945 115.1208 45.1471 0.0000 173.4574 38 R 4.3855 7.7705 120.2010 55.9950 31.7485 175.6024 39 H 4.9366 8.5623 121.2145 54.7779 30.3324 175.0677 40 S 4.2460 8.2827 115.3055 58.6761 63.8174 174.0992 41 G 2.0000 7.6108 107.1950 46.8192 0.0000 174.2593 42 Q 4.5183 7.8581 115.3102 54.7420 30.5329 176.1554 43 A 4.2516 8.5506 122.9569 51.9917 18.8939 177.3512 44 E 4.3379 8.7799 121.1754 56.9871 30.8520 176.9724 45 G 3.9773 9.1293 108.7188 45.6556 0.0000 172.1974 46 Y 4.4769 7.6592 120.1086 55.4635 40.9673 174.8716 47 S 4.4590 7.0397 121.9559 57.0847 61.0323 173.0329 48 Y 4.6364 8.0567 123.6136 56.9525 38.9677 175.9927 49 T 4.4131 8.3743 111.8657 61.3671 71.2650 175.4348 50 D 4.4713 8.6252 121.0154 57.2449 40.7272 178.9138 51 A 3.9908 7.9841 121.0196 55.1368 18.3543 178.8752 52 N 4.2384 8.1487 115.1084 56.9724 38.9133 176.7418 53 I 3.4927 7.0608 118.6457 64.5404 37.3382 177.9866 54 K 4.0172 7.5408 118.7713 59.3206 32.1740 178.2281 55 K 3.7220 8.0268 118.9318 57.6034 33.2696 175.9648 56 N 3.8677 7.4162 115.1010 54.3331 37.6220 173.5768 57 V 3.5974 7.8386 120.0151 62.1518 33.5404 175.1668 58 L 4.4823 7.9515 129.4893 53.1721 42.7378 175.5066 59 W 5.0126 8.4753 127.9304 56.1865 30.1999 175.3467 60 D 5.1221 8.8601 123.7627 50.4917 42.7090 176.0975 61 E 3.7531 8.9731 118.0464 59.7699 28.6905 179.3405 62 N 4.4713 8.8653 117.6580 55.9321 38.8107 176.8154 63 N 4.3532 8.4748 117.8619 57.1500 39.2749 176.1608 64 M 4.0572 8.2197 119.4024 58.9501 31.9102 178.1880 65 S 4.1820 7.4309 111.4182 61.1027 62.9004 175.7014 66 E 4.0852 7.9340 121.2930 59.6187 29.2979 178.2075 67 Y 3.8325 7.7085 119.7244 61.0766 38.8168 178.4188 68 L 3.9070 8.0933 119.2711 57.9285 41.4424 179.9316 69 T 4.2425 7.6360 116.6895 65.0613 69.2355 174.3583 70 N 4.6318 8.1833 118.8143 52.2304 40.4892 172.5729 71 P 3.9182 0.0000 0.0000 63.5193 31.8659 178.0218 *73 K 4.3288 7.9688 120.6801 56.6582 33.8277 176.4339 74 Y 4.3060 8.4033 119.0005 60.1863 39.0988 176.0168 75 I 4.6064 8.5250 121.2066 58.0965 37.7396 172.0063 76 P 4.4628 0.0000 0.0000 63.9810 31.9939 177.0243 77 G 4.0427 8.9694 110.8872 45.4242 0.0000 173.8752 78 T 4.0695 7.7035 114.4122 62.3009 67.7514 173.5944 79 K 4.3658 8.6378 125.6026 57.0301 32.9587 176.1637 80 M 4.1786 8.0718 120.2064 55.8313 32.4960 177.1337 81 A 4.5751 8.4150 133.6966 51.0073 17.9587 175.3139 82 Y 4.8068 7.4428 121.0501 54.7224 42.0942 174.8744 83 G 3.4129 8.6062 116.9953 49.4646 0.0000 173.1216 84 G 3.8117 5.4122 103.9043 42.3110 0.0000 173.3143 85 L 4.5623 8.1053 121.0926 52.5729 41.0767 177.8411 86 K 4.0596 8.4076 123.6064 58.6486 32.6719 178.7320 87 K 4.3378 7.8606 118.9352 55.2114 33.5970 177.1341 88 E 4.0053 8.8977 125.0538 59.3394 29.6335 179.0126 89 K 3.9209 8.0577 118.2895 60.1780 32.5651 178.7729 90 D 4.3943 8.0624 119.5181 57.1855 40.8857 178.6556 91 R 4.0889 8.1310 118.6247 59.3203 30.0944 178.9345 92 N 4.6558 8.9340 116.6719 56.5094 38.5775 177.2380 93 D 4.4925 8.2321 120.2417 57.3765 40.8739 178.6367 94 L 4.1191 8.5602 121.2028 58.3540 41.8387 179.0823 95 I 3.6717 8.1567 119.7800 64.7034 37.0354 178.5789 96 T 3.8588 7.9892 116.2932 66.4864 68.2180 176.2669 97 Y 4.0040 8.0165 121.6651 60.5436 38.8572 177.7326 98 L 3.6456 8.7510 120.4592 57.7144 41.6050 179.1365 99 K 3.2468 8.5867 119.1192 59.4235 31.9985 178.0421 100 K 3.9218 7.1710 117.4024 59.3704 32.3927 178.4266 101 A 4.0227 7.6720 119.4332 53.9882 18.6499 178.5400 102 T 4.0506 7.6981 107.4136 61.9553 68.9077 174.6555 103 E 4.0370 7.7589 127.7064 56.6631 29.7789 175.8420 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 -5 T 8.17 4.42 4.27 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 0.00 0.00 1.23 0.00 0.00 -4 E 8.44 5.31 0.00 2.11 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 2.26 2.37 0.00 -3 F 8.89 4.97 0.00 2.94 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 -2 K 7.39 4.10 0.00 1.49 1.39 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.29 7.81 -1 A 7.43 3.98 1.18 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 0.00 0.00 -4 G 8.35 4.92 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 -3 S 8.90 4.82 0.00 3.69 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 0.00 -2 A 7.34 4.10 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 -1 K 7.48 3.98 0.00 1.56 1.47 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.32 7.81 5 K 8.11 4.20 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.51 7.81 6 G 8.06 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.80 2.58 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 8 T 7.63 3.99 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 1.18 0.00 0.00 9 L 7.62 4.08 0.00 1.85 1.75 1.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.96 3.98 0.00 2.88 2.72 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 0.00 0.00 0.00 11 K 8.06 3.95 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.65 7.81 12 T 8.21 3.97 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 1.18 0.00 0.00 13 R 8.27 4.43 0.00 1.31 1.61 0.00 3.31 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 14 C 7.79 4.27 0.00 1.23 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 0.00 0.00 0.00 15 L 6.60 4.00 0.00 1.57 1.67 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.97 3.82 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 17 C 7.92 4.84 0.00 2.73 2.72 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 0.00 0.00 0.00 18 H 8.02 5.36 0.00 3.16 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.67 4.88 4.65 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 1.27 0.00 0.00 20 V 8.17 4.24 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 0.11 0.00 0.00 0.84 0.00 0.00 21 E 7.95 4.09 0.00 2.07 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 2.24 0.00 22 K 8.04 3.71 0.00 1.12 1.42 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.36 7.81 23 G 9.09 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 24 G 7.87 3.89 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 25 P 0.00 4.62 0.00 2.19 2.04 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 26 H 8.33 4.69 0.00 3.29 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.29 4.71 0.00 1.66 0.96 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 V 9.03 3.72 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 0.79 0.00 0.00 0.93 0.00 0.00 29 G 8.15 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 30 P 0.00 4.17 0.00 1.87 0.85 0.00 3.46 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.39 0.00 31 N 8.78 4.62 0.00 2.92 2.80 0.00 0.00 6.97 7.78 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 32 L 8.84 4.39 0.00 1.67 1.51 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.10 4.20 0.00 3.26 3.22 0.00 6.09 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.01 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 35 I 7.59 3.77 1.79 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 0.45 0.92 0.28 0.00 0.00 36 F 7.26 4.64 0.00 3.07 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 37 G 10.39 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 0.00 0.00 0.00 38 R 7.77 4.39 0.00 1.97 2.06 0.00 3.14 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 39 H 8.56 4.94 0.00 2.93 3.06 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.28 4.25 0.00 3.99 3.44 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 41 G 7.61 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.86 4.52 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 43 A 8.55 4.25 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 44 E 8.78 4.34 0.00 2.17 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 2.32 2.37 0.00 45 G 9.13 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 46 Y 7.66 4.48 0.00 2.48 2.24 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 0.00 47 S 7.04 4.46 0.00 3.67 3.42 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 0.00 48 Y 8.06 4.64 0.00 3.10 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 49 T 8.37 4.41 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 1.34 0.00 0.00 50 D 8.63 4.47 0.00 2.73 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 51 A 7.98 3.99 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 52 N 8.15 4.24 0.00 2.98 2.95 0.00 0.00 7.24 7.18 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 53 I 7.06 3.49 2.00 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 1.27 0.97 0.86 0.00 0.00 54 K 7.54 4.02 0.00 1.98 1.79 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 55 K 8.03 3.72 0.00 1.96 1.68 0.00 1.78 0.00 0.00 1.40 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 56 N 7.42 3.87 0.00 2.83 2.64 0.00 0.00 7.18 8.71 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 57 V 7.84 3.60 0.69 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 -0.26 0.00 0.00 0.62 0.00 0.00 58 L 7.95 4.48 0.00 1.43 1.39 0.89 0.57 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 59 W 8.48 5.01 0.00 3.28 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 5.12 0.00 2.79 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 61 E 8.97 3.75 0.00 1.16 1.29 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 2.02 2.25 0.00 62 N 8.87 4.47 0.00 3.11 2.96 0.00 0.00 6.48 6.78 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 63 N 8.47 4.35 0.00 3.20 3.12 0.00 0.00 6.76 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 64 M 8.22 4.06 0.00 2.52 2.13 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 65 S 7.43 4.18 0.00 4.15 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 66 E 7.93 4.09 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 67 Y 7.71 3.83 0.00 2.52 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 68 L 8.09 3.91 0.00 1.83 1.76 0.97 0.53 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 69 T 7.64 4.24 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 1.22 0.00 0.00 70 N 8.18 4.63 0.00 2.67 2.67 0.00 0.00 7.22 7.05 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 71 P 0.00 3.92 0.00 2.12 1.66 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.69 0.00 *73 K 7.97 4.33 0.00 1.78 2.09 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.57 7.81 74 Y 8.40 4.31 0.00 3.21 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 75 I 8.53 4.61 2.15 0.00 0.00 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 1.35 0.83 1.01 0.00 0.00 76 P 0.00 4.46 0.00 2.06 2.02 0.00 3.64 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 2.03 2.24 0.00 77 G 8.97 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 78 T 7.70 4.07 4.53 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 1.44 0.00 0.00 79 K 8.64 4.37 0.00 1.97 1.96 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 80 M 8.07 4.18 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 81 A 8.41 4.58 1.29 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 82 Y 7.44 4.81 0.00 2.77 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 83 G 8.61 3.41 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 0.00 84 G 5.41 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.11 4.56 0.00 1.83 1.69 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.41 4.06 0.00 1.72 1.86 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.47 7.81 87 K 7.86 4.34 0.00 2.01 1.74 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 88 E 8.90 4.01 0.00 2.06 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 2.42 2.43 0.00 89 K 8.06 3.92 0.00 2.03 2.06 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.55 7.81 90 D 8.06 4.39 0.00 2.89 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 91 R 8.13 4.09 0.00 2.10 2.08 0.00 3.25 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 92 N 8.93 4.66 0.00 2.88 2.96 0.00 0.00 7.02 8.73 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 93 D 8.23 4.49 0.00 2.90 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 94 L 8.56 4.12 0.00 1.79 1.76 1.23 1.16 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 95 I 8.16 3.67 2.08 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 1.59 0.90 0.41 0.00 0.00 96 T 7.99 3.86 4.43 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 1.28 0.00 0.00 97 Y 8.02 4.00 0.00 3.16 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 98 L 8.75 3.65 0.00 1.87 1.83 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.59 3.25 0.00 1.23 1.91 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.14 7.81 100 K 7.17 3.92 0.00 1.91 1.76 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.34 7.81 101 A 7.67 4.02 0.70 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 0.00 0.00 102 T 7.70 4.05 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 1.16 0.00 0.00 103 E 7.76 4.04 0.00 1.84 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 2.23 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.