NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 L 4.3579 8.1693 120.7641 53.5119 42.9531 176.3270 -3 V 4.1323 7.3173 117.8584 60.8029 33.1171 169.0396 -2 P 4.3778 0.0000 0.0000 62.3095 32.8290 177.0549 -1 R 4.1229 8.3944 121.3182 57.4195 30.4664 176.5079 0 G 3.9581 8.7902 112.4394 46.5185 0.0000 174.5591 1 S 4.2306 8.0270 115.1013 58.9840 63.5211 173.7070 2 L 4.5686 7.7037 123.1627 53.4668 43.1049 174.7626 3 T 4.5878 8.0575 119.5442 61.8041 70.1807 171.2360 4 H 4.9911 8.2089 115.8679 54.3542 31.3817 172.4762 5 R 4.3418 8.1764 119.1370 54.5028 32.9565 173.9135 6 K 4.5065 8.1364 125.4566 54.7738 33.7403 175.4074 7 F 4.6869 8.7864 123.2730 56.8886 42.5429 175.3000 8 G 3.9240 9.0939 109.2750 44.2503 0.0000 171.6186 9 G 4.3954 8.2339 109.1677 44.8910 0.0000 173.1792 10 S 4.5372 8.5981 113.8783 58.1377 64.1511 174.5277 11 G 3.6555 7.8072 110.2231 46.3969 0.0000 173.7216 12 G 3.9001 8.5083 108.0238 44.8921 0.0000 172.5556 13 S 4.8209 8.2145 113.8312 55.6802 64.6990 172.8390 14 P 4.2549 0.0000 0.0000 63.2053 31.6252 175.4622 15 F 5.0372 7.6499 114.8128 55.4524 40.9627 173.3896 16 S 4.8178 8.5398 115.2269 56.0194 64.8325 174.4473 17 G 3.7576 8.8403 114.1150 47.9409 0.0000 173.6120 18 L 4.4221 7.8387 122.2321 54.0490 40.8964 175.1908 19 S 4.9797 9.8264 121.9844 59.8051 64.9719 174.0080 20 S 5.2099 8.1330 111.4910 57.6793 66.2226 173.8864 21 I 5.1688 8.6690 120.7955 60.0540 41.7224 174.1515 22 A 5.2490 9.0702 126.5056 50.8497 23.3631 175.0021 23 V 4.9199 8.8919 111.0425 59.9522 36.6971 174.9198 24 R 5.2065 8.6818 121.5561 54.7568 32.5600 175.5626 25 S 5.2153 8.9409 116.5982 56.7964 67.0267 174.6044 26 G 4.4476 9.3374 110.5269 46.0057 0.0000 176.7465 27 S 4.2493 9.2818 123.8485 59.4531 63.6691 172.7882 28 Y 4.6251 7.8618 117.8226 55.6454 41.3415 173.8281 29 L 4.6581 8.8825 121.2774 54.8541 41.8216 178.1647 30 D 4.3186 9.4888 125.2303 57.0563 42.0817 176.4272 31 A 4.7311 7.7132 117.0692 50.8914 22.6921 174.9677 32 I 4.9123 8.7809 119.9882 59.2105 41.7884 174.4891 33 I 4.9055 9.0436 128.2788 59.6776 40.4358 174.4408 34 I 4.8187 8.6336 128.5674 59.7565 39.6722 175.7662 35 D 4.7235 9.6223 127.6301 54.1413 38.8646 175.3107 36 G 3.9326 8.6027 107.2368 45.1625 0.0000 174.3143 37 V 3.9109 7.6246 120.9130 61.8391 32.1288 174.4825 38 H 4.4689 8.6325 127.5123 56.1642 30.4557 174.3282 39 H 4.7338 9.4694 123.5049 57.2972 30.4701 171.9183 40 G 3.8483 8.3195 112.8315 44.1295 0.0000 170.5217 41 G 4.3007 8.1665 110.9928 43.8969 0.0000 174.0161 42 S 4.5940 8.3151 113.1931 57.8222 63.1124 174.2732 43 G 3.7128 7.0950 109.7635 45.1866 0.0000 174.6848 44 G 3.8974 8.3507 107.0199 44.8468 0.0000 171.8965 45 N 5.0263 8.3141 116.0148 51.0978 41.6631 174.0331 46 L 4.6754 8.4672 126.0485 54.7090 42.6919 176.7482 47 S 4.2216 8.6093 121.9539 56.9837 63.9988 172.4456 48 P 4.4220 0.0000 0.0000 62.9712 31.6738 176.3151 49 T 4.4462 8.3416 117.9587 63.4291 69.4820 173.9125 50 F 4.4098 9.5157 130.1066 57.4139 40.6958 174.3182 51 T 4.9241 7.7393 123.3287 61.5924 70.0722 174.5283 52 F 4.5469 8.6943 126.7010 56.9959 39.6349 176.1535 53 G 3.8404 9.1470 113.0323 45.1619 0.0000 172.6303 54 S 4.3252 8.5846 114.7924 59.7607 62.4989 174.6861 55 G 3.9978 9.0569 114.9773 45.7026 0.0000 172.1298 56 E 4.7319 8.1083 120.4477 54.4323 31.3724 174.5865 57 Y 4.6197 8.4488 122.4420 55.2500 41.4380 173.8755 58 I 4.4999 8.3781 122.1211 61.2695 37.7138 176.6269 59 S 5.6505 9.4269 121.4312 58.0981 65.2959 172.9684 60 N 5.9099 7.7444 117.8439 53.0920 43.1252 172.7778 58 T 4.6799 8.5281 115.8211 61.9695 68.7138 174.9269 59 I 5.3505 9.1169 125.6312 60.8981 40.2959 174.7684 60 R 5.5099 7.5744 119.6439 55.9920 35.1252 173.8778 65 S 5.1152 8.4914 119.5534 58.7466 67.1191 176.1034 66 G 4.3792 9.2986 111.8013 46.4003 0.0000 174.5144 67 D 4.4426 9.4840 125.2252 55.4582 41.8748 175.1945 68 Y 4.9504 7.4474 115.1802 54.4563 42.0275 174.0847 69 I 4.3119 8.8394 122.6529 61.7684 37.7413 176.6370 70 D 4.5496 8.8136 126.8479 55.6381 42.8717 175.9866 71 N 5.3922 7.8555 114.1331 52.4472 42.2016 173.8789 72 I 5.1220 8.8759 125.1029 59.7556 41.2344 174.5441 73 S 5.1943 8.7510 119.7809 57.2971 66.2126 172.6573 74 F 5.2605 8.8566 115.3829 55.9720 41.3166 172.4024 75 E 5.4099 9.3306 119.0867 54.8046 33.2855 174.5020 76 T 4.8530 8.7744 115.5780 59.2021 71.5600 175.4273 77 N 4.4181 8.0546 119.9668 52.3248 35.4228 176.3160 *79 G 3.9267 8.1779 105.7862 46.2845 0.0000 173.3027 80 R 4.5707 8.0162 119.3765 54.9759 31.3810 175.7622 81 R 5.0189 8.4811 119.9938 54.2854 32.8509 175.2500 82 F 4.4710 8.2014 123.1225 57.1089 41.9978 176.3762 83 G 2.7686 7.4077 116.3658 43.4281 0.0000 170.7458 84 P 4.3200 0.0000 0.0000 62.8644 32.0471 175.0919 85 Y 4.6831 8.7910 119.1197 56.5625 40.9028 174.1164 86 G 4.1653 8.5021 109.4237 44.1184 0.0000 171.0673 87 G 4.4112 8.5145 110.6087 43.1940 0.0000 173.0912 88 S 4.5824 8.5090 113.8549 57.7616 63.8479 174.2758 89 G 3.6195 7.5954 110.1344 46.0981 0.0000 173.5172 90 G 3.8057 8.6510 106.7399 44.2091 0.0000 172.5581 91 S 4.6581 8.5729 114.3166 57.3294 64.2690 173.9598 92 A 4.8447 8.5354 126.7149 51.4678 19.4324 176.2712 93 N 5.0909 8.6830 118.5774 51.6818 42.6545 173.9158 94 T 4.6241 8.4952 118.1837 61.7324 71.5556 173.2767 95 L 4.4142 8.4222 125.7813 53.3817 42.9086 176.1725 96 S 4.7736 8.4041 119.6690 57.8441 66.2421 173.7799 97 N 4.2736 8.7710 120.1289 55.1805 35.4601 172.3394 98 V 4.9191 7.5354 109.2545 59.2684 36.5077 176.6752 99 K 4.5882 8.5837 121.8695 54.6184 34.5298 175.3392 100 V 3.9875 8.3955 128.3783 63.2974 31.6122 175.3748 101 I 4.1706 8.6836 128.8891 63.0551 38.3792 175.9559 102 Q 4.6019 7.8497 120.7636 54.6883 32.8094 173.4159 103 I 4.9025 8.4018 124.8891 60.0209 39.8206 174.7168 104 N 4.8082 9.0227 125.4174 51.6619 41.6561 174.1072 105 G 3.9773 7.6940 104.5695 46.5799 0.0000 172.2792 106 S 4.6894 7.9840 112.7491 57.0124 66.1978 172.8212 107 A 5.4513 7.7186 122.5418 51.6815 23.3243 175.7399 108 G 4.0443 9.3697 107.3311 46.2262 0.0000 175.2980 109 D 4.4670 9.4892 128.7331 55.8852 42.2500 175.1776 110 Y 5.0258 7.7073 115.3229 55.6855 41.9670 173.8431 111 L 4.3739 9.0150 123.5448 54.7495 41.7579 176.9037 112 D 4.4637 9.1554 128.0965 57.1255 41.9633 176.8122 113 S 4.6495 7.8064 110.4509 57.2646 66.3013 173.1098 114 L 5.3237 8.4629 119.8591 53.0130 45.4663 175.6664 115 D 4.7571 9.4477 121.7678 52.7498 43.8305 174.2869 116 I 4.9375 8.3382 127.0793 59.9576 39.0670 174.7169 117 Y 4.6063 9.0124 125.5009 56.4417 40.0752 174.4504 118 Y 5.1134 7.7272 119.8653 55.9866 40.9242 173.7847 119 E 4.0750 8.8298 121.1698 55.7983 31.3151 175.2723 120 Q 4.6175 8.2049 124.7528 54.6152 30.6179 174.7670 121 Y 4.6134 8.2821 123.8460 58.2858 37.7046 175.6876 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 L 8.17 4.36 0.00 1.68 1.62 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 -3 V 7.32 4.13 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 0.75 0.00 0.00 0.92 0.00 0.00 -2 P 0.00 4.38 0.00 2.19 2.00 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 -1 R 8.39 4.12 0.00 1.75 1.82 0.00 3.34 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 0 G 8.79 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 0.00 0.00 0.00 1 S 8.03 4.23 0.00 4.01 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 2 L 7.70 4.57 0.00 1.60 1.57 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.06 4.59 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 1.20 0.00 0.00 4 H 8.21 4.99 0.00 3.21 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.18 4.34 0.00 1.60 1.73 0.00 2.71 0.00 0.00 2.81 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 6 K 8.14 4.51 0.00 1.68 1.54 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.42 7.81 7 F 8.79 4.69 0.00 2.97 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 8 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 9 G 8.23 4.40 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 0.00 10 S 8.60 4.54 0.00 3.98 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 11 G 7.81 3.66 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 0.00 0.00 0.00 12 G 8.51 3.90 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 0.00 0.00 0.00 13 S 8.21 4.82 0.00 3.94 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 14 P 0.00 4.25 0.00 2.06 1.98 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 15 F 7.65 5.04 0.00 3.08 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 16 S 8.54 4.82 0.00 3.79 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 17 G 8.84 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 0.00 0.00 0.00 18 L 7.84 4.42 0.00 1.56 1.52 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.83 4.98 0.00 4.04 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 20 S 8.13 5.21 0.00 3.97 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 21 I 8.67 5.17 1.72 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 0.77 0.84 0.00 0.00 22 A 9.07 5.25 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 23 V 8.89 4.92 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 1.05 0.00 0.00 0.81 0.00 0.00 24 R 8.68 5.21 0.00 1.72 1.94 0.00 3.34 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 25 S 8.94 5.22 0.00 3.96 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 26 G 9.34 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 0.00 0.00 0.00 0.00 27 S 9.28 4.25 0.00 4.00 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 0.00 28 Y 7.86 4.63 0.00 3.06 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 29 L 8.88 4.66 0.00 1.97 1.76 1.11 1.47 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 30 D 9.49 4.32 0.00 2.75 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 31 A 7.71 4.73 1.10 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 0.00 0.00 32 I 8.78 4.91 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.95 1.00 0.00 0.00 33 I 9.04 4.91 1.89 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 1.22 0.55 0.95 0.00 0.00 34 I 8.63 4.82 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.98 0.00 0.00 35 D 9.62 4.72 0.00 2.79 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 36 G 8.60 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 37 V 7.62 3.91 2.16 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 0.86 0.00 0.00 0.98 0.00 0.00 38 H 8.63 4.47 0.00 3.10 3.15 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.47 4.73 0.00 3.32 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.32 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.17 4.30 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 0.00 42 S 8.32 4.59 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.10 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 44 G 8.35 3.90 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 0.00 0.00 0.00 45 N 8.31 5.03 0.00 2.67 2.67 0.00 0.00 7.10 7.24 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 46 L 8.47 4.68 0.00 1.62 1.55 0.96 0.96 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 47 S 8.61 4.22 0.00 2.98 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 P 0.00 4.42 0.00 2.20 2.09 0.00 3.72 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 2.11 2.15 0.00 49 T 8.34 4.45 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 1.24 0.00 0.00 50 F 9.52 4.41 0.00 3.09 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 51 T 7.74 4.92 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 1.22 0.00 0.00 52 F 8.69 4.55 0.00 3.08 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.15 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 54 S 8.58 4.33 0.00 3.92 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 55 G 9.06 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 56 E 8.11 4.73 0.00 2.04 2.28 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 2.64 2.47 0.00 57 Y 8.45 4.62 0.00 2.98 2.91 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 0.00 0.00 0.00 58 I 8.38 4.50 1.67 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 1.26 0.82 0.00 0.00 59 S 9.43 5.65 0.00 4.01 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 0.00 60 N 7.74 5.91 0.00 2.88 2.72 0.00 0.00 7.66 7.22 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 58 T 8.53 4.68 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 1.12 0.00 0.00 59 I 9.12 5.35 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 1.09 1.11 0.91 0.00 0.00 60 R 7.57 5.51 0.00 1.91 1.73 0.00 2.21 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 65 S 8.49 5.12 0.00 4.05 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 66 G 9.30 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 0.00 0.00 0.00 0.00 67 D 9.48 4.44 0.00 2.73 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 68 Y 7.45 4.95 0.00 3.27 3.07 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 69 I 8.84 4.31 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.98 1.02 0.00 0.00 70 D 8.81 4.55 0.00 2.76 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 71 N 7.86 5.39 0.00 2.86 2.63 0.00 0.00 6.74 7.94 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 72 I 8.88 5.12 2.12 0.00 0.00 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 1.42 0.81 1.21 0.00 0.00 73 S 8.75 5.19 0.00 3.82 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 74 F 8.86 5.26 0.00 3.23 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 75 E 9.33 5.41 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 76 T 8.77 4.85 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 1.74 0.00 0.00 77 N 8.05 4.42 0.00 2.52 2.43 0.00 0.00 6.89 7.13 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 *79 G 8.18 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 80 R 8.02 4.57 0.00 2.47 2.26 0.00 3.10 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 81 R 8.48 5.02 0.00 1.74 1.73 0.00 3.13 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 82 F 8.20 4.47 0.00 1.57 1.45 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 0.00 83 G 7.41 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 0.00 0.00 0.00 84 P 0.00 4.32 0.00 2.05 1.95 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 85 Y 8.79 4.68 0.00 2.94 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 G 8.50 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 87 G 8.51 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 0.00 0.00 0.00 0.00 88 S 8.51 4.58 0.00 3.91 3.90 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 89 G 7.60 3.62 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 0.00 0.00 0.00 90 G 8.65 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 91 S 8.57 4.66 0.00 3.80 3.79 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 92 A 8.54 4.84 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 93 N 8.68 5.09 0.00 2.55 2.65 0.00 0.00 6.85 7.54 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 94 T 8.50 4.62 4.22 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 1.20 0.00 0.00 95 L 8.42 4.41 0.00 1.28 1.15 0.32 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.40 4.77 0.00 3.81 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 97 N 8.77 4.27 0.00 2.99 3.01 0.00 0.00 6.90 7.68 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 98 V 7.54 4.92 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 0.51 0.00 0.00 0.87 0.00 0.00 99 K 8.58 4.59 0.00 1.34 1.29 0.00 0.89 0.00 0.00 1.25 0.00 0.00 2.55 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.87 0.21 7.81 100 V 8.40 3.99 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 0.80 0.00 0.00 0.84 0.00 0.00 101 I 8.68 4.17 2.00 0.00 0.00 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 1.19 0.88 0.84 0.00 0.00 102 Q 7.85 4.60 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.52 0.00 103 I 8.40 4.90 1.91 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 1.37 0.80 0.96 0.00 0.00 104 N 9.02 4.81 0.00 2.81 2.80 0.00 0.00 6.39 7.47 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 0.00 105 G 7.69 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 0.00 106 S 7.98 4.69 0.00 3.99 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 0.00 107 A 7.72 5.45 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 0.00 108 G 9.37 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 0.00 109 D 9.49 4.47 0.00 2.85 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 0.00 110 Y 7.71 5.03 0.00 2.97 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 0.00 111 L 9.02 4.37 0.00 1.89 1.88 1.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.16 4.46 0.00 2.84 2.54 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 0.00 113 S 7.81 4.65 0.00 3.85 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 0.00 114 L 8.46 5.32 0.00 1.54 1.61 1.00 1.01 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 0.00 115 D 9.45 4.76 0.00 2.66 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 0.00 116 I 8.34 4.94 1.90 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 1.34 0.64 0.95 0.00 0.00 117 Y 9.01 4.61 0.00 2.95 2.85 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 0.00 0.00 0.00 118 Y 7.73 5.11 0.00 2.96 2.82 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 0.00 119 E 8.83 4.08 0.00 1.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 120 Q 8.20 4.62 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 121 Y 8.28 4.61 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.