NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4406 8.1749 117.3734 63.6592 70.0859 172.9530 2 T 4.5573 8.7667 121.4039 60.0195 71.7197 171.4222 3 I 5.0889 9.2674 121.0668 59.2375 41.1509 174.6845 4 V 4.6643 8.8863 116.8465 59.9064 36.6336 174.4111 5 G 4.5672 8.4996 107.8554 44.8158 0.0000 172.3999 6 V 4.5992 9.0988 123.8198 61.0945 34.9420 174.3664 7 K 4.7468 8.8641 127.6280 55.8650 33.2797 175.9238 8 F 5.0911 8.2681 117.9092 54.2845 41.1123 175.2331 9 N 4.2520 9.1535 117.4814 55.8283 36.5767 174.9795 10 N 4.9179 7.7792 114.7541 52.0255 40.7571 174.5725 11 G 3.5998 5.9066 104.5167 45.3003 0.0000 172.6118 12 V 5.0448 8.0298 120.1731 60.4235 34.4955 174.6484 13 V 4.8143 9.3171 122.4370 59.9990 34.7626 174.3757 14 I 5.2267 8.3345 114.4769 59.4423 40.8143 173.8443 15 A 4.8971 8.7687 124.2800 50.9725 23.1652 174.4036 16 A 5.4929 8.4251 118.4676 52.2733 22.2125 176.2581 17 D 4.7961 8.4847 119.4238 52.5327 42.1918 176.5170 18 T 4.7845 8.2717 107.7183 61.6290 70.5562 172.9079 19 R 4.8929 8.1839 121.8075 55.6765 31.5191 175.4855 20 S 4.9546 8.8785 120.0666 56.7018 65.4681 172.7319 21 T 5.1888 8.5039 115.2459 60.1656 72.5484 173.5046 22 Q 4.1613 8.7423 120.8432 54.3376 31.7949 175.2914 23 G 3.6748 8.8139 116.8647 46.3217 0.0000 171.5749 24 P 4.5583 0.0000 0.0000 62.9005 32.0171 175.9014 25 I 4.2022 7.6542 121.6152 59.8537 38.2967 175.1151 26 V 4.0757 8.2803 125.0667 62.4098 31.4231 175.4907 27 A 4.1587 8.8833 131.9267 54.3820 18.8486 177.1166 28 D 4.8047 7.7631 114.4167 52.5767 43.8901 175.8171 29 K 4.3340 8.6864 124.5117 57.5390 33.3160 176.6042 30 N 5.1831 8.2012 117.5870 52.5640 38.2967 172.8318 31 C 4.6271 8.5662 116.0772 57.7362 32.2625 174.6668 32 A 4.6306 8.3859 120.5557 50.3066 20.0133 176.1909 33 K 4.3488 8.7413 120.6342 57.2139 33.6154 176.1806 34 L 5.0852 7.7424 121.1539 53.6415 42.9636 175.5679 35 H 4.9432 9.8714 121.8779 53.8537 32.6330 172.9288 36 R 3.3318 7.9101 121.2746 54.6668 30.3207 175.9072 37 I 3.8822 8.2015 128.5819 63.4777 37.8867 175.9888 38 S 4.5660 7.3016 112.2292 55.9671 65.9564 172.7170 39 P 4.3427 0.0000 0.0000 65.4312 31.1504 177.9643 40 K 4.7778 8.1255 115.3879 56.0051 32.7738 175.3973 41 I 4.9424 8.0281 120.5411 59.7380 40.0243 174.5408 42 W 5.0861 8.9983 127.1727 55.0774 32.1803 174.9371 43 C 5.4232 9.6706 121.4891 57.7312 34.9267 172.3069 44 A 5.2967 9.2120 127.4823 50.2371 20.9204 175.7659 45 G 4.6090 9.1407 109.7384 44.3914 0.0000 172.2317 46 A 4.9183 9.5711 124.1434 49.4417 23.3185 177.1295 47 G 4.1719 9.0489 104.5524 45.0338 0.0000 177.6904 48 T 4.2782 9.6333 129.4382 61.9166 68.2320 174.8269 49 A 3.9582 8.7447 128.9331 55.5241 18.3499 178.6351 50 A 3.9485 8.0935 118.0417 55.5148 18.3697 179.5160 51 D 4.2299 7.9856 116.8549 57.7060 41.1555 178.8585 52 T 3.8032 8.0638 110.4827 64.7076 68.6222 176.0845 53 E 3.7361 8.3055 121.8822 58.8035 29.7555 178.6036 54 A 3.9097 8.0101 121.0064 55.2438 18.4998 180.0654 55 V 3.5046 7.8290 117.7049 65.2050 31.5028 178.7249 56 T 3.8192 7.6843 115.9267 66.4028 68.2299 176.6673 57 Q 3.9974 8.0511 120.0209 58.2693 28.7489 178.2741 58 L 3.8468 7.8771 121.4529 58.3524 42.2319 179.1934 59 I 3.7646 7.7437 119.9183 64.0822 36.9052 178.6415 60 G 3.5642 7.9316 106.5693 47.7420 0.0000 175.5413 61 S 4.0513 8.4294 116.0858 61.3592 62.4004 176.0863 62 N 4.3587 8.2970 119.0898 56.3358 38.1177 177.5414 63 I 3.7061 8.2603 121.7688 64.1071 37.1343 178.0402 64 E 3.9102 8.2931 120.2990 59.4200 29.5672 178.9027 65 L 4.0308 8.0168 118.9775 58.0920 41.6319 179.0892 66 H 4.1778 8.6656 118.6890 59.0405 29.7619 177.3240 67 S 4.1106 8.4652 115.3663 61.4071 62.0611 176.1166 68 L 3.9944 7.8414 120.3605 58.1119 41.4683 178.7304 69 Y 4.1142 8.1526 118.4860 59.7835 38.7324 176.8594 70 T 4.4573 8.0954 108.6210 60.3773 69.2739 174.7493 71 S 4.1312 8.0341 116.3170 59.7636 61.2222 172.1309 72 R 4.7769 7.2466 116.0913 53.9527 33.6382 175.4997 73 E 4.1895 8.5346 119.3630 55.6332 30.1523 175.6400 74 P 4.4743 0.0000 0.0000 62.6556 32.3705 176.0157 75 R 4.8206 8.1365 119.7470 54.3920 32.5011 177.7183 76 V 3.6189 9.0693 121.4998 66.2980 31.6431 179.0798 77 V 3.6561 7.8047 111.3706 64.0616 31.3263 178.5207 78 S 4.1429 7.9696 115.2015 61.2486 62.7326 176.3005 79 A 3.9749 7.8924 123.0452 55.0784 18.1581 179.2848 80 L 3.8856 8.1635 119.0196 58.1562 42.1260 179.0181 81 Q 3.9729 7.9271 119.2859 59.1500 29.0455 177.8848 82 M 4.0567 8.1235 119.7375 58.2728 31.9289 178.6368 83 L 3.9754 8.0864 119.4093 57.7824 41.8582 179.7518 84 K 4.0027 8.0535 118.6677 60.2825 32.5351 179.0683 85 Q 4.0992 8.2917 118.9751 58.3691 28.3640 178.1306 86 H 4.2417 7.9294 118.5449 59.2758 30.4175 176.8450 87 L 4.1813 8.2905 121.1507 57.8886 41.4691 179.2647 88 F 3.9539 8.4693 120.5533 61.1742 39.0573 176.8594 89 K 3.8360 7.8321 117.6968 59.4201 32.0385 177.1363 90 Y 4.2213 7.6248 115.0576 57.7647 38.5617 176.0025 91 Q 2.8962 7.7081 117.7549 56.9193 25.7660 176.3545 *93 G 3.9946 7.7255 106.8069 45.4510 0.0000 175.0134 94 H 4.1975 8.6705 117.1097 57.8350 28.8044 175.5015 95 I 4.1891 6.9279 120.5571 59.5743 36.9765 176.9785 96 G 4.0487 8.9479 118.2989 46.1629 0.0000 171.0341 97 A 5.0714 7.2940 119.7826 50.3120 21.8893 177.0361 98 Y 4.5239 8.9465 120.1307 56.2850 40.9732 174.7909 99 L 5.3822 8.7008 123.5764 52.9082 45.6026 176.7022 100 I 4.4896 8.9127 123.4497 59.7994 39.0542 174.5893 101 V 4.8052 8.3648 126.8533 60.0537 32.9707 175.0770 102 A 4.8303 9.9021 125.7127 49.3302 23.3529 174.8948 103 G 4.3728 7.6862 108.9626 45.5732 0.0000 172.0944 104 V 4.5317 7.8356 113.1047 59.4738 34.2766 176.1622 105 D 4.2825 8.4049 121.6532 53.8393 39.0859 175.0047 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 T 8.17 4.44 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 1.23 0.00 0.00 2 T 8.77 4.56 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 1.22 0.00 0.00 3 I 9.27 5.09 1.92 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 1.38 0.70 0.95 0.00 0.00 4 V 8.89 4.66 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 0.75 0.00 0.00 0.95 0.00 0.00 5 G 8.50 4.57 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 0.00 0.00 0.00 6 V 9.10 4.60 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 7 K 8.86 4.75 0.00 1.68 1.66 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 8 F 8.27 5.09 0.00 3.21 3.10 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 9 N 9.15 4.25 0.00 2.87 3.10 0.00 0.00 5.66 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 10 N 7.78 4.92 0.00 2.67 2.90 0.00 0.00 6.81 7.98 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 11 G 5.91 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 0.00 0.00 0.00 12 V 8.03 5.04 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 0.74 0.00 0.00 1.02 0.00 0.00 13 V 9.32 4.81 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 1.10 0.00 0.00 0.92 0.00 0.00 14 I 8.33 5.23 1.99 0.00 0.00 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 1.33 0.77 0.98 0.00 0.00 15 A 8.77 4.90 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 16 A 8.43 5.49 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 17 D 8.48 4.80 0.00 2.70 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 18 T 8.27 4.78 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 19 R 8.18 4.89 0.00 1.88 2.02 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 20 S 8.88 4.95 0.00 3.93 3.73 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 21 T 8.50 5.19 4.39 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 1.21 0.00 0.00 22 Q 8.74 4.16 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.85 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 23 G 8.81 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 0.00 0.00 0.00 24 P 0.00 4.56 0.00 2.19 2.16 0.00 3.75 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 1.96 1.98 0.00 25 I 7.65 4.20 2.00 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 1.18 0.51 0.91 0.00 0.00 26 V 8.28 4.08 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 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.88 4.16 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 0.00 0.00 0.00 0.00 0.00 28 D 7.76 4.80 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.33 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.42 7.81 30 N 8.20 5.18 0.00 2.70 2.68 0.00 0.00 7.16 6.96 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 31 C 8.57 4.63 0.00 3.03 3.15 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 32 A 8.39 4.63 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 33 K 8.74 4.35 0.00 1.76 2.08 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 34 L 7.74 5.09 0.00 1.59 1.85 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.87 4.94 0.00 2.94 3.08 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.91 3.33 0.00 0.67 1.16 0.00 3.09 0.00 0.00 2.94 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 37 I 8.20 3.88 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.85 0.00 0.00 38 S 7.30 4.57 0.00 3.93 3.88 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 0.00 0.00 0.00 0.00 39 P 0.00 4.34 0.00 2.12 2.27 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 40 K 8.13 4.78 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 8.03 4.94 1.87 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 1.25 0.64 1.01 0.00 0.00 42 W 9.00 5.09 0.00 3.25 3.23 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 0.00 43 C 9.67 5.42 0.00 2.93 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 44 A 9.21 5.30 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 45 G 9.14 4.61 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 0.00 0.00 0.00 46 A 9.57 4.92 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 47 G 9.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.63 4.28 4.37 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 1.22 0.00 0.00 49 A 8.74 3.96 1.35 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 0.00 0.00 50 A 8.09 3.95 1.32 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 0.00 0.00 51 D 7.99 4.23 0.00 2.92 2.67 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 52 T 8.06 3.80 4.21 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 1.31 0.00 0.00 53 E 8.31 3.74 0.00 2.13 2.19 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 2.31 2.35 0.00 54 A 8.01 3.91 1.32 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 0.00 0.00 55 V 7.83 3.50 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 0.82 0.00 0.00 0.87 0.00 0.00 56 T 7.68 3.82 4.38 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 1.11 0.00 0.00 57 Q 8.05 4.00 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 58 L 7.88 3.85 0.00 1.78 1.68 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.74 3.76 1.94 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 1.49 0.18 0.87 0.00 0.00 60 G 7.93 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.43 4.05 0.00 3.89 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 62 N 8.30 4.36 0.00 2.74 2.83 0.00 0.00 7.13 6.82 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 63 I 8.26 3.71 2.06 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 1.37 0.83 0.90 0.00 0.00 64 E 8.29 3.91 0.00 2.01 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 0.00 2.31 2.35 0.00 65 L 8.02 4.03 0.00 1.90 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.67 4.18 0.00 3.23 3.44 0.00 5.59 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 67 S 8.47 4.11 0.00 4.03 4.05 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 68 L 7.84 3.99 0.00 1.84 1.76 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.15 4.11 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.46 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 1.19 0.00 0.00 71 S 8.03 4.13 0.00 4.02 3.95 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 72 R 7.25 4.78 0.00 1.66 1.80 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 73 E 8.53 4.19 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 74 P 0.00 4.47 0.00 2.05 1.99 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 75 R 8.14 4.82 0.00 1.85 1.89 0.00 3.14 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 9.07 3.62 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 1.13 0.00 0.00 1.04 0.00 0.00 77 V 7.80 3.66 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 0.93 0.00 0.00 0.93 0.00 0.00 78 S 7.97 4.14 0.00 4.02 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 79 A 7.89 3.97 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 80 L 8.16 3.89 0.00 1.88 1.86 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.93 3.97 0.00 2.39 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.12 4.06 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 83 L 8.09 3.98 0.00 1.72 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.05 4.00 0.00 2.02 2.16 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.57 7.81 85 Q 8.29 4.10 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 86 H 7.93 4.24 0.00 3.29 3.57 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.29 4.18 0.00 1.76 1.70 0.90 1.04 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 88 F 8.47 3.95 0.00 3.29 3.23 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 0.00 89 K 7.83 3.84 0.00 2.01 1.94 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.98 1.33 7.81 90 Y 7.62 4.22 0.00 3.01 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 91 Q 7.71 2.90 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.43 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 *93 G 7.73 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 0.00 0.00 0.00 94 H 8.67 4.20 0.00 3.32 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.93 4.19 1.77 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.24 0.80 0.00 0.00 96 G 8.95 4.05 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 0.00 0.00 0.00 97 A 7.29 5.07 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 98 Y 8.95 4.52 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.70 5.38 0.00 1.51 1.57 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.91 4.49 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.96 0.00 0.00 101 V 8.36 4.81 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 0.72 0.00 0.00 0.96 0.00 0.00 102 A 9.90 4.83 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 0.00 103 G 7.69 4.37 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 0.00 104 V 7.84 4.53 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 0.75 0.00 0.00 0.97 0.00 0.00 105 D 8.40 4.28 0.00 2.81 2.64 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 * Residues marked with a * may have inaccurate shift predictions.