NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2694 8.4293 120.2240 56.3859 30.3437 177.7772 5 T 3.9605 8.9404 117.6262 61.4747 70.4772 172.4777 6 I 4.3835 7.9214 121.2288 59.4390 40.8690 175.8604 7 N 4.6466 8.7293 124.4194 52.5013 39.6074 174.5885 8 L 4.0863 8.6478 126.0707 57.9878 42.5966 178.8637 9 K 3.7536 8.3808 119.3316 59.5636 31.9458 176.6456 10 Q 4.4864 8.1095 117.3191 56.7180 29.8136 174.0166 11 H 4.3465 8.6027 119.0363 56.7419 27.3173 177.6125 12 L 3.8913 7.7965 116.6317 57.9106 41.8414 179.5094 13 A 3.8567 7.7515 119.5842 55.4696 18.1985 178.4645 14 A 4.1580 7.4876 113.8312 52.6285 17.9235 177.1907 15 I 4.2685 7.7121 119.7752 60.4428 37.6574 175.7773 16 K 4.0721 8.4397 125.4556 57.2175 32.5904 176.8687 17 E 4.6004 7.6503 116.2763 54.5494 32.7028 175.5534 18 Y 4.2961 8.4956 116.8618 60.3219 38.4417 178.4746 19 W 4.4896 8.1541 116.6934 56.5177 29.5986 176.0782 20 Q 4.5031 7.4794 117.8803 53.4592 28.8293 173.9517 21 P 4.7503 0.0000 0.0000 62.3642 33.0848 175.1703 22 E 4.5650 9.0464 122.6792 54.8012 31.2297 174.6421 23 I 4.7366 8.3254 127.9855 60.3918 38.7545 175.3586 24 I 4.7611 9.0602 126.4345 59.5837 41.4807 173.9018 25 N 5.5855 8.8828 122.2940 51.6195 41.0377 174.2500 26 R 4.6319 8.8141 122.0623 55.8832 33.8907 175.1832 27 H 3.8605 8.5538 120.9146 57.2516 28.4920 176.0068 28 G 3.6422 8.6585 116.7300 46.9543 0.0000 171.8843 29 F 5.2476 8.3326 119.2312 55.4372 42.3201 174.2914 30 Q 5.0882 8.9717 122.8139 54.3672 32.2523 173.9264 31 F 5.3450 9.4896 124.7580 56.0414 42.4550 173.6957 32 H 5.4009 9.3414 120.5752 54.0183 31.4195 173.0455 33 L 5.2430 8.8121 123.4769 53.0788 44.3827 175.7714 34 V 4.6078 8.4417 121.7949 61.6679 35.4598 172.6246 35 K 4.8739 8.3797 125.9420 55.0379 33.7625 175.7850 36 L 3.6447 8.4789 124.0013 52.8440 44.9976 175.5282 37 L 4.2987 8.1783 122.4546 55.0995 44.6348 176.4534 38 G 3.8354 10.2383 117.0589 45.6704 0.0000 170.7196 39 D 5.4451 8.4211 120.0011 52.1589 42.4654 175.3550 40 Y 3.8258 7.8192 116.9126 57.0789 39.0132 175.2504 41 G 3.7075 7.7504 107.1850 43.6787 0.0000 172.6364 42 W 4.7483 8.3243 117.6654 55.4303 30.6835 175.7479 43 H 5.1134 9.2214 120.5968 54.4152 33.1771 172.9037 44 T 4.7510 8.0882 115.2399 62.5065 72.4362 173.0910 45 H 3.9149 8.6534 124.9652 55.3289 29.5148 176.5425 46 G 3.8286 7.7125 111.6253 45.8747 0.0000 172.6403 47 Y 4.6979 6.8863 115.1130 57.7086 39.7598 175.6875 48 S 4.8197 7.9228 113.8427 55.6328 66.1400 172.8715 49 D 4.9332 8.8666 122.2230 55.0877 41.8532 175.6865 50 K 4.8748 8.7373 117.7159 55.0813 36.9694 175.7904 51 V 4.5818 8.5110 124.1603 61.7565 33.3270 174.4696 52 L 5.2124 9.3538 128.2339 52.9442 44.1146 175.6352 53 F 5.2832 9.6858 126.3202 56.3353 42.7420 173.2869 54 A 4.4332 8.4324 128.4550 50.8493 19.6107 177.5931 55 V 3.0507 8.4451 123.9994 64.7960 31.8028 176.5798 56 E 4.6924 7.6296 117.4985 55.4532 32.5667 175.5429 57 G 4.3576 7.5112 105.6038 45.4191 0.0000 172.7624 58 D 5.3911 8.7607 124.1188 51.1731 45.4808 174.1094 *60 A 4.1760 8.2909 120.8667 52.0438 20.7753 175.5728 61 V 4.5705 7.7985 117.2230 61.4058 34.8054 173.8948 62 D 4.8827 8.4853 127.7425 53.0419 43.2199 175.8222 63 F 5.3683 9.1505 120.3331 55.9860 41.9992 176.2997 64 A 4.3762 9.0389 121.7651 54.3514 19.0132 178.1588 65 D 4.5649 8.2107 112.7162 54.0786 39.5403 176.5545 66 G 4.1398 8.0356 107.9439 45.7712 0.0000 175.0090 67 G 3.9443 8.8238 109.1166 45.9685 0.0000 173.1538 68 S 5.0682 8.0395 116.4506 55.9466 66.2013 173.0659 *70 T 4.0289 8.2870 116.4890 64.3231 69.0557 173.3650 71 I 4.3347 8.0726 126.1224 59.6325 38.5919 175.7154 72 R 4.4320 8.5983 125.1189 54.4470 31.1567 175.7284 73 E 3.8717 9.0727 119.9752 58.2796 29.7461 178.1084 74 G 4.2017 8.6123 113.0771 45.9946 0.0000 172.7555 75 E 4.5769 7.9769 120.0225 54.2954 32.2451 174.3970 *77 A 4.4231 8.0072 119.4904 52.4472 20.2879 175.8320 78 V 4.7631 8.3183 118.6107 61.2853 34.0202 175.1755 79 V 4.5159 8.8949 127.8432 60.5521 32.8411 173.4950 80 P 4.9831 0.0000 0.0000 62.0694 32.2153 176.3282 81 K 3.9305 9.0748 121.2216 58.3964 33.0561 176.7654 82 S 4.1384 9.0434 117.0935 59.0549 60.5764 169.3936 83 V 4.5689 7.4697 112.2719 59.2010 34.5554 175.5910 84 S 4.6779 9.2431 120.3859 58.8275 63.0848 172.6024 85 H 4.9277 9.2723 120.7577 55.0981 32.5181 172.7216 86 R 4.3755 8.2156 119.2147 53.9230 32.3772 172.3966 87 P 4.8856 0.0000 0.0000 62.8091 32.2257 176.3244 88 R 4.9869 8.5608 120.9684 55.1688 34.2561 174.7861 89 S 4.4384 9.0649 117.1491 57.2183 65.5207 174.5224 90 E 4.1552 9.1661 128.5446 58.9072 29.6669 176.9905 91 N 4.8336 8.3634 112.0107 52.5731 39.5908 174.9917 92 G 4.4374 9.9665 106.2701 46.0404 0.0000 172.6790 93 C 4.5672 8.0346 119.3416 58.2693 35.3426 172.7149 94 S 4.6109 8.6188 123.0008 58.0252 64.0531 172.6819 95 L 5.0238 8.9418 127.1136 53.1163 45.0377 174.9326 96 V 4.9094 8.5640 125.9705 61.2075 34.0712 174.1377 97 L 5.3503 9.0076 127.2923 53.0201 44.9769 175.3370 98 I 4.9088 8.8320 124.2235 59.4709 40.2824 174.5323 99 E 5.0115 8.8891 123.2844 54.5959 33.7324 174.2008 100 L 4.3795 8.0619 122.9422 54.9808 42.3432 178.4667 101 S 4.3228 8.5290 121.2438 59.1548 61.7953 172.1480 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 4 E 8.43 4.27 0.00 1.94 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 2.21 2.37 0.00 5 T 8.94 3.96 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 1.19 0.00 0.00 6 I 7.92 4.38 1.60 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.65 0.00 0.00 7 N 8.73 4.65 0.00 2.67 2.73 0.00 0.00 7.25 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 8 L 8.65 4.09 0.00 1.82 1.71 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.38 3.75 0.00 1.78 1.90 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.44 7.81 10 Q 8.11 4.49 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 5.65 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 11 H 8.60 4.35 0.00 3.54 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.80 3.89 0.00 2.03 1.66 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.75 3.86 1.27 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 0.00 0.00 0.00 14 A 7.49 4.16 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 15 I 7.71 4.27 1.92 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 1.25 0.87 0.79 0.00 0.00 16 K 8.44 4.07 0.00 1.67 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.35 7.81 17 E 7.65 4.60 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 18 Y 8.50 4.30 0.00 3.26 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 19 W 8.15 4.49 0.00 3.11 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 20 Q 7.48 4.50 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 21 P 0.00 4.75 0.00 2.12 2.07 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 22 E 9.05 4.57 0.00 2.03 1.85 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 2.23 2.27 0.00 23 I 8.33 4.74 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.41 0.81 0.00 0.00 24 I 9.06 4.76 1.89 0.00 0.00 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 1.21 0.84 0.89 0.00 0.00 25 N 8.88 5.59 0.00 2.58 2.76 0.00 0.00 6.76 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 26 R 8.81 4.63 0.00 2.09 1.93 0.00 3.49 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 27 H 8.55 3.86 0.00 3.33 2.75 0.00 5.89 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 28 G 8.66 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 8.33 5.25 0.00 3.01 2.30 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 30 Q 8.97 5.09 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 31 F 9.49 5.35 0.00 2.91 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 32 H 9.34 5.40 0.00 3.09 3.22 0.00 5.59 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 33 L 8.81 5.24 0.00 1.60 1.52 0.89 0.85 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 34 V 8.44 4.61 1.87 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 0.80 0.00 0.00 0.90 0.00 0.00 35 K 8.38 4.87 0.00 1.45 1.72 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.67 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.26 7.81 36 L 8.48 3.64 0.00 1.34 1.22 0.64 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.18 4.30 0.00 0.58 0.41 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 38 G 10.24 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 5.45 0.00 2.71 2.61 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 0.00 0.00 0.00 40 Y 7.82 3.83 0.00 1.43 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 0.00 0.00 0.00 41 G 7.75 3.71 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 0.00 0.00 0.00 42 W 8.32 4.75 0.00 3.06 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 43 H 9.22 5.11 0.00 2.88 3.14 0.00 5.77 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 44 T 8.09 4.75 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 1.19 0.00 0.00 45 H 8.65 3.91 0.00 2.77 2.20 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.71 3.83 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 0.00 0.00 0.00 47 Y 6.89 4.70 0.00 2.99 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 48 S 7.92 4.82 0.00 3.94 4.01 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 0.00 0.00 0.00 49 D 8.87 4.93 0.00 2.62 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 50 K 8.74 4.87 0.00 1.71 1.64 0.00 1.32 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.38 1.58 7.81 51 V 8.51 4.58 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 52 L 9.35 5.21 0.00 1.67 1.59 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.69 5.28 0.00 3.03 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 54 A 8.43 4.43 1.19 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 0.00 0.00 0.00 55 V 8.45 3.05 1.88 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 0.64 0.00 0.00 0.62 0.00 0.00 56 E 7.63 4.69 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 57 G 7.51 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 0.00 0.00 0.00 0.00 58 D 8.76 5.39 0.00 2.49 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.18 1.24 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 0.00 0.00 61 V 7.80 4.57 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.86 0.00 0.00 62 D 8.49 4.88 0.00 2.10 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.15 5.37 0.00 3.24 3.02 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 64 A 9.04 4.38 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 65 D 8.21 4.56 0.00 2.83 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 66 G 8.04 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 67 G 8.82 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 0.00 0.00 0.00 68 S 8.04 5.07 0.00 3.87 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 *70 T 8.29 4.03 4.26 0.00 0.00 0.00 0.00 0.00 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 71 I 8.07 4.33 1.88 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 1.47 1.18 0.95 0.00 0.00 72 R 8.60 4.43 0.00 1.92 1.92 0.00 3.18 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 73 E 9.07 3.87 0.00 2.02 1.85 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 2.28 2.27 0.00 74 G 8.61 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 75 E 7.98 4.58 0.00 2.32 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 2.29 2.30 0.00 *77 A 8.01 4.42 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 78 V 8.32 4.76 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 0.86 0.00 0.00 0.95 0.00 0.00 79 V 8.89 4.52 2.12 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 0.86 0.00 0.00 0.99 0.00 0.00 80 P 0.00 4.98 0.00 2.11 2.02 0.00 3.94 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 1.99 1.89 0.00 81 K 9.07 3.93 0.00 1.66 1.81 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.44 7.81 82 S 9.04 4.14 0.00 4.04 4.12 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 83 V 7.47 4.57 2.20 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 0.75 0.00 0.00 1.14 0.00 0.00 84 S 9.24 4.68 0.00 3.97 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 85 H 9.27 4.93 0.00 2.88 3.43 0.00 5.27 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 86 R 8.22 4.38 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.85 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.99 0.00 87 P 0.00 4.89 0.00 2.17 2.00 0.00 3.73 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 88 R 8.56 4.99 0.00 1.77 1.75 0.00 3.08 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 89 S 9.06 4.44 0.00 3.88 3.60 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 90 E 9.17 4.16 0.00 1.96 1.94 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 2.28 2.32 0.00 91 N 8.36 4.83 0.00 2.70 2.76 0.00 0.00 7.15 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 92 G 9.97 4.44 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 0.00 0.00 0.00 93 C 8.03 4.57 0.00 3.09 2.65 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 0.00 94 S 8.62 4.61 0.00 3.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.94 5.02 0.00 1.58 1.55 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.56 4.91 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 1.15 0.00 0.00 0.99 0.00 0.00 97 L 9.01 5.35 0.00 1.83 1.50 0.93 0.86 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 98 I 8.83 4.91 1.78 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 1.16 0.76 0.49 0.00 0.00 99 E 8.89 5.01 0.00 2.04 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 2.37 2.28 0.00 100 L 8.06 4.38 0.00 1.41 1.56 0.96 0.78 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 0.00 101 S 8.53 4.32 0.00 3.36 3.65 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 0.00 * Residues marked with a * may have inaccurate shift predictions.