NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4677 8.1633 120.6127 55.4930 33.9428 173.6572 2 I 4.6775 8.4073 127.1437 59.3744 39.0480 173.8207 3 R 4.5695 9.6714 127.6687 55.2122 33.0183 175.2210 4 T 4.9626 8.3812 118.6226 62.4894 69.9269 173.9230 5 M 4.9898 9.0297 126.5285 52.7650 36.0423 175.0315 6 L 3.2659 8.7739 123.9461 55.8295 42.3489 176.4972 7 Q 4.4697 9.1400 129.2498 58.5600 30.2703 175.7260 8 G 4.3282 7.8865 103.4515 46.5138 0.0000 172.1053 9 K 5.0566 8.3630 118.4332 55.6669 36.7342 174.6321 10 L 4.9821 8.6806 122.5200 53.6809 43.0363 176.5013 11 H 4.5473 9.1978 122.0370 55.8777 30.0094 175.7247 12 R 3.9500 7.5601 118.7945 54.4327 28.2134 176.2591 13 V 4.2626 8.8454 120.2204 59.6860 35.3783 175.5075 14 K 4.8564 8.8423 126.5324 53.7509 33.3343 177.7147 15 V 3.7766 8.7260 125.9622 62.7254 31.6551 176.4718 16 T 4.3493 8.7988 119.4956 63.4676 69.9945 174.8703 17 H 4.9327 8.0359 117.1547 54.0746 33.5686 172.5701 18 A 5.4193 8.3900 121.7338 49.3607 19.4426 173.0777 19 D 4.5831 8.1955 118.9215 52.4577 41.8064 176.6188 20 L 4.1493 8.8119 129.8433 58.6531 41.9768 179.5138 *21 H 4.2330 8.3368 114.3730 57.2409 27.9488 178.3766 22 Y 4.5432 7.8202 119.8809 56.4822 40.4406 174.6168 23 E 4.0074 8.2479 119.8946 56.5353 30.6110 177.7759 24 S 5.0188 8.8735 117.8327 57.4820 62.2024 173.0779 25 S 4.3729 7.8911 118.5350 57.8142 66.8746 172.1070 26 C 5.2527 8.6025 119.7396 57.6511 33.5805 172.3796 27 A 5.1156 8.9872 128.9992 50.9245 20.6778 175.8573 28 I 4.9116 8.5083 122.4864 59.3195 41.5804 174.1699 29 D 4.3579 8.4868 125.5655 54.4436 41.2400 177.5952 30 Q 4.0076 8.8780 127.0417 59.4452 28.9885 178.2053 31 D 4.4210 8.5321 120.1973 57.4197 40.8220 178.8655 32 F 4.5892 8.2195 118.2621 60.6077 39.0755 177.6677 33 L 4.0917 8.1109 118.1871 58.0277 41.2427 179.1577 34 D 4.3921 8.3019 117.6353 57.4753 40.8733 178.5151 35 A 4.1369 8.0152 119.8069 54.4814 18.5875 178.6187 36 A 4.5860 8.3054 117.4906 51.4813 19.1008 178.5613 37 G 4.1125 7.6639 104.1463 45.9474 0.0000 173.8245 38 I 4.3325 7.6617 119.8758 60.4131 38.2497 175.4008 39 L 4.6995 8.8814 124.8816 52.5434 43.5249 175.8327 40 E 4.2767 8.5122 122.0705 58.0283 29.9084 176.9583 41 N 4.5291 9.4981 122.1966 53.3748 37.3234 173.9122 42 E 4.3967 8.0679 120.4555 55.3321 31.0533 175.7503 43 A 4.9066 8.7129 128.4924 52.3180 19.2642 176.7182 44 I 4.9178 8.9252 114.7323 59.2837 41.7783 173.7863 45 D 5.2347 9.1996 124.0836 52.9004 43.2314 175.3890 46 I 4.8460 8.4934 123.8225 59.0435 40.4593 174.2247 47 W 4.7078 9.0522 135.0000 55.6784 32.9153 174.3182 48 N 5.1082 9.4778 128.7390 52.5349 38.1441 175.4941 49 V 3.6847 8.6369 127.9357 66.3397 31.7435 177.6900 50 T 4.0840 8.4153 116.6859 65.8667 68.4167 174.6705 51 N 4.8701 8.4530 114.8655 51.9752 37.8766 175.5294 52 G 4.2835 8.6269 107.8589 45.7627 0.0000 174.4929 53 K 4.1746 8.2470 120.2665 56.5767 33.1248 176.2875 54 R 4.9663 8.2308 122.7957 54.3772 33.1810 174.6684 55 F 4.9317 8.5039 116.8157 56.1563 41.9292 172.8312 56 S 5.1344 8.6163 114.4968 57.5799 65.6388 174.4249 57 T 4.6430 8.4954 116.9879 61.8931 71.5544 171.5051 58 Y 5.4107 8.1940 115.9573 55.2958 42.2851 174.5744 59 A 5.0389 8.9086 122.7741 51.6018 20.3682 176.5963 60 I 5.0942 8.5983 113.5182 58.7679 41.6583 174.4345 61 A 4.7025 8.9716 125.1864 51.9526 19.1225 177.0478 62 A 4.6759 8.8718 123.5238 49.4669 22.7301 175.6738 63 E 4.0516 8.6553 119.3551 56.6097 30.4886 176.6202 64 R 4.1934 8.5813 126.9656 58.0302 30.5032 176.6662 65 G 3.9994 8.5329 113.3484 45.4966 0.0000 174.4988 66 S 4.1356 7.8053 113.6828 59.0704 63.3611 174.9444 67 R 3.6910 8.4203 118.5313 56.9766 28.2120 175.8377 68 I 4.1315 7.0938 118.6496 61.1440 38.6332 175.1609 69 I 4.9906 8.5992 126.7916 59.5773 40.4521 174.3614 70 S 4.9706 9.1752 122.2526 56.4755 65.5214 172.7795 71 V 4.5463 8.8454 128.2805 61.6733 32.8577 174.1542 72 N 5.3012 8.9317 125.4002 51.0910 42.3039 176.2789 73 G 3.7487 9.1868 108.4131 45.8295 0.0000 177.1319 74 A 3.9382 9.0521 124.3320 54.8162 18.4686 179.7812 75 A 3.5480 7.8580 117.5334 54.7679 18.5745 178.5250 76 A 4.1400 7.6642 120.2674 55.4485 18.7144 177.9203 *77 H 4.3790 7.3580 113.2873 54.2218 27.8981 180.9936 *79 A 4.3352 7.7065 122.7773 52.7234 19.9409 177.0169 80 S 4.7553 9.2484 117.8518 56.0394 65.5478 173.9932 81 V 3.9266 8.0142 121.6320 64.6183 31.5363 175.7426 82 G 4.0588 9.1097 116.1681 45.2936 0.0000 173.7099 83 D 4.5625 7.8971 119.5272 54.6980 42.3977 175.5613 84 I 4.7243 8.9799 123.0689 60.3200 38.8818 175.4225 85 V 5.1083 8.8892 119.9282 59.5594 35.9895 174.5116 86 I 4.9392 8.8147 123.0602 59.6488 40.4114 174.7786 87 I 5.0330 8.4568 126.0937 59.5170 40.4972 174.4622 88 A 5.2257 9.0875 127.7212 50.2097 22.9623 174.7742 89 S 5.1813 8.7160 113.7623 56.5410 66.8221 172.9245 90 F 5.2559 8.8309 118.3310 55.9158 42.3223 174.6777 91 V 4.6701 8.7852 115.2142 59.7358 35.5056 174.5634 92 T 5.5925 8.2217 111.6424 59.9679 71.3057 173.0904 93 M 4.5300 7.9329 117.7128 53.9059 34.3310 172.3894 94 P 4.7274 0.0000 0.0000 62.4256 32.6245 176.9323 95 D 4.4259 8.9945 123.1104 58.5817 40.7338 179.6184 96 E 4.0200 8.1494 116.6718 61.4165 29.9633 180.3441 97 E 4.3971 8.1521 118.8832 58.9908 29.8761 178.9231 98 A 4.1419 8.2044 120.9395 55.2669 18.1579 179.8343 99 R 4.1114 7.9818 115.7979 58.4662 30.0969 177.6252 100 T 4.5910 7.5636 106.2161 60.5814 69.4182 174.0018 101 W 4.3850 8.0397 131.9417 57.8104 31.2189 175.4365 102 R 4.1734 6.4357 122.9074 53.2287 32.1336 173.7619 103 P 4.5755 0.0000 0.0000 62.7616 32.8672 175.4720 104 N 4.7485 8.9181 118.7337 52.0011 39.8690 174.3949 105 V 4.7848 8.3509 123.3617 60.7947 34.6097 174.3772 106 A 4.6404 8.5790 128.0787 50.2788 22.0344 174.6360 107 Y 4.9349 8.2234 118.4890 56.2386 41.4528 174.7315 108 F 5.4151 8.7493 118.9060 55.9160 43.3767 173.6829 109 E 4.7277 9.2011 118.4974 53.8486 33.6097 178.4009 110 G 3.7137 8.7958 110.0785 47.3015 0.0000 176.5965 111 D 4.5892 8.8972 118.9860 53.8750 39.1533 175.1798 112 N 4.2034 7.9698 116.6131 53.9007 37.0573 174.5502 113 E 4.5608 8.2762 117.4883 55.5410 30.9327 176.3911 114 M 3.8554 8.7482 125.6158 55.0456 33.1325 175.7414 115 K 4.1332 8.7291 129.2641 57.0020 32.7345 178.1564 116 R 4.1783 8.3481 122.8630 56.2502 30.4441 171.5844 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 1 M 8.16 4.47 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 2 I 8.41 4.68 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.35 0.93 0.00 0.00 3 R 9.67 4.57 0.00 1.70 1.83 0.00 3.28 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 4 T 8.38 4.96 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 5 M 9.03 4.99 0.00 1.93 1.64 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 6 L 8.77 3.27 0.00 1.53 1.63 0.40 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.14 4.47 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 8 G 7.89 4.33 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 0.00 9 K 8.36 5.06 0.00 1.77 1.72 0.00 1.14 0.00 0.00 1.40 0.00 0.00 2.33 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.15 1.12 7.81 10 L 8.68 4.98 0.00 1.57 1.66 0.99 1.44 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 11 H 9.20 4.55 0.00 3.05 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.56 3.95 0.00 1.78 1.91 0.00 3.18 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 13 V 8.85 4.26 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 -0.80 0.00 0.00 0.79 0.00 0.00 14 K 8.84 4.86 0.00 1.50 1.58 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.24 7.81 15 V 8.73 3.78 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 0.96 0.00 0.00 1.00 0.00 0.00 16 T 8.80 4.35 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 1.30 0.00 0.00 17 H 8.04 4.93 0.00 3.05 3.12 0.00 5.76 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 18 A 8.39 5.42 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 19 D 8.20 4.58 0.00 2.75 2.53 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 0.00 20 L 8.81 4.15 0.00 1.68 1.73 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.34 4.23 0.00 2.93 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.82 4.54 0.00 3.16 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 23 E 8.25 4.01 0.00 2.02 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 2.30 2.37 0.00 24 S 8.87 5.02 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 25 S 7.89 4.37 0.00 3.37 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 26 C 8.60 5.25 0.00 3.05 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.99 5.12 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 28 I 8.51 4.91 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 1.07 0.00 0.00 29 D 8.49 4.36 0.00 2.11 1.54 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 30 Q 8.88 4.01 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 31 D 8.53 4.42 0.00 2.85 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 32 F 8.22 4.59 0.00 3.19 3.14 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 33 L 8.11 4.09 0.00 1.92 1.98 1.01 1.17 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 34 D 8.30 4.39 0.00 2.91 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 35 A 8.02 4.14 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 36 A 8.31 4.59 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 37 G 7.66 4.11 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 0.00 38 I 7.66 4.33 1.93 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 1.44 0.78 1.00 0.00 0.00 39 L 8.88 4.70 0.00 1.72 1.60 0.95 0.80 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 40 E 8.51 4.28 0.00 1.97 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 2.36 2.44 0.00 41 N 9.50 4.53 0.00 2.89 2.92 0.00 0.00 6.97 7.62 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 42 E 8.07 4.40 0.00 2.14 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 2.36 2.31 0.00 43 A 8.71 4.91 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 44 I 8.93 4.92 1.88 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 1.28 0.85 0.96 0.00 0.00 45 D 9.20 5.23 0.00 2.74 2.63 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 46 I 8.49 4.85 0.56 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 0.94 0.43 0.80 0.00 0.00 47 W 9.05 4.71 0.00 3.30 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 48 N 9.48 5.11 0.00 2.98 3.10 0.00 0.00 6.44 7.28 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 49 V 8.64 3.68 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 0.74 0.00 0.00 0.88 0.00 0.00 50 T 8.42 4.08 4.41 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 1.28 0.00 0.00 51 N 8.45 4.87 0.00 2.84 2.91 0.00 0.00 7.13 7.00 0.00 0.00 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 G 8.63 4.28 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 0.00 53 K 8.25 4.17 0.00 1.95 1.82 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 R 8.23 4.97 0.00 1.20 1.14 0.00 2.53 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.56 0.00 55 F 8.50 4.93 0.00 3.01 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 56 S 8.62 5.13 0.00 3.78 3.82 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 0.00 0.00 0.00 57 T 8.50 4.64 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 1.28 0.00 0.00 58 Y 8.19 5.41 0.00 3.13 2.99 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 59 A 8.91 5.04 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 60 I 8.60 5.09 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 1.13 0.00 0.00 61 A 8.97 4.70 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 62 A 8.87 4.68 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 63 E 8.66 4.05 0.00 2.03 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 2.35 2.32 0.00 64 R 8.58 4.19 0.00 1.78 1.81 0.00 3.32 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 65 G 8.53 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.81 4.14 0.00 3.96 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 67 R 8.42 3.69 0.00 2.00 2.29 0.00 3.69 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 68 I 7.09 4.13 1.79 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 1.26 1.07 0.89 0.00 0.00 69 I 8.60 4.99 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.92 0.00 0.00 70 S 9.18 4.97 0.00 3.80 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 71 V 8.85 4.55 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 1.08 0.00 0.00 1.03 0.00 0.00 72 N 8.93 5.30 0.00 2.97 2.91 0.00 0.00 6.64 7.28 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 73 G 9.19 3.75 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 0.00 0.00 0.00 74 A 9.05 3.94 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 75 A 7.86 3.55 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 76 A 7.66 4.14 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 *77 H 7.36 4.38 0.00 2.93 2.94 0.00 7.24 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 *79 A 7.71 4.34 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 80 S 9.25 4.76 0.00 3.84 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 81 V 8.01 3.93 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 0.78 0.00 0.00 0.96 0.00 0.00 82 G 9.11 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.90 4.56 0.00 2.74 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 84 I 8.98 4.72 1.89 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 1.24 1.06 0.91 0.00 0.00 85 V 8.89 5.11 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 0.82 0.00 0.00 0.97 0.00 0.00 86 I 8.81 4.94 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.88 0.00 0.00 87 I 8.46 5.03 1.86 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 1.12 0.84 0.91 0.00 0.00 88 A 9.09 5.23 1.13 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 0.00 0.00 89 S 8.72 5.18 0.00 4.11 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 90 F 8.83 5.26 0.00 2.85 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 91 V 8.79 4.67 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 0.70 0.00 0.00 0.56 0.00 0.00 92 T 8.22 5.59 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 93 M 7.93 4.53 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 94 P 0.00 4.73 0.00 2.42 2.00 0.00 3.59 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 2.14 2.06 0.00 95 D 8.99 4.43 0.00 2.91 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 96 E 8.15 4.02 0.00 2.10 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 0.00 2.23 1.98 0.00 97 E 8.15 4.40 0.00 2.21 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 0.00 2.42 2.47 0.00 98 A 8.20 4.14 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 99 R 7.98 4.11 0.00 2.04 2.05 0.00 3.13 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 100 T 7.56 4.59 4.28 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 1.24 0.00 0.00 101 W 8.04 4.38 0.00 3.43 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 0.00 102 R 6.44 4.17 0.00 1.26 1.48 0.00 3.13 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.30 0.00 103 P 0.00 4.58 0.00 2.02 2.31 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 104 N 8.92 4.75 0.00 2.82 2.98 0.00 0.00 6.76 8.26 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 0.00 105 V 8.35 4.78 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 0.43 0.00 0.00 0.86 0.00 0.00 106 A 8.58 4.64 1.02 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 0.00 107 Y 8.22 4.93 0.00 2.69 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 0.00 108 F 8.75 5.42 0.00 2.99 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 0.00 109 E 9.20 4.73 0.00 1.98 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 2.36 2.28 0.00 110 G 8.80 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 0.00 111 D 8.90 4.59 0.00 2.63 2.66 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 0.00 0.00 0.00 0.00 112 N 7.97 4.20 0.00 3.00 3.05 0.00 0.00 7.24 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 0.00 113 E 8.28 4.56 0.00 2.15 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 2.38 2.51 0.00 114 M 8.75 3.86 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.32 0.00 115 K 8.73 4.13 0.00 1.56 1.67 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.41 1.34 7.81 116 R 8.35 4.18 0.00 1.77 1.62 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 * Residues marked with a * may have inaccurate shift predictions.