NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1442 8.1727 122.0510 56.3467 34.0930 174.1897 2 V 4.5589 8.2219 127.4665 60.7460 31.7488 174.5084 3 F 4.4449 9.9624 128.3785 57.6120 40.2749 174.8774 4 E 4.3427 8.9283 120.9311 55.5474 31.1988 177.5099 5 R 3.4062 8.7446 119.9096 60.1553 30.0144 179.2651 6 C 4.2783 8.0465 115.6120 59.6741 35.5834 175.5915 7 E 3.8997 8.0986 120.6546 59.2688 29.3673 178.2493 8 L 3.5555 8.0129 119.9818 58.1032 42.1448 178.7420 9 A 3.9593 8.0557 120.7724 55.4445 18.3797 179.9072 10 R 3.9249 8.3525 116.7736 59.5799 30.0962 179.4925 11 T 3.9057 7.8708 115.5555 66.5418 68.4716 176.8959 12 L 3.8588 7.8360 121.0119 57.3798 41.6090 179.3541 13 K 3.8805 7.8777 119.2838 59.6908 31.9589 178.8637 14 R 3.9658 7.6548 117.1778 59.0124 29.9625 177.3661 15 L 4.4293 7.6222 116.8107 54.2606 41.6183 177.2950 16 G 3.8986 7.8388 106.2202 46.5189 0.0000 175.3555 17 M 3.8399 7.9456 121.9752 57.2474 32.1086 175.7424 18 D 4.3926 8.0508 117.9862 55.6344 41.2735 175.8091 19 G 3.9242 9.4751 115.5150 45.6762 0.0000 171.5170 20 Y 4.2198 8.2571 122.1118 58.5118 38.8204 176.1417 21 R 3.4951 9.0172 126.1152 57.2110 27.7551 177.1480 22 G 3.7661 8.0679 103.3053 45.7804 0.0000 174.0758 23 I 3.9764 7.4608 121.7962 59.1813 37.9518 175.9714 24 S 4.6512 8.2185 120.9256 57.7632 65.0610 174.7961 25 L 4.2047 8.4591 124.1120 58.4982 41.7946 179.0172 26 A 4.2193 8.2239 120.1577 55.5582 18.2021 179.2710 27 N 4.4581 8.1339 114.3798 56.1814 38.6431 177.6622 28 W 4.1896 7.8934 120.0633 60.0204 29.0835 178.3450 29 M 4.1703 8.7399 118.8569 58.7372 31.5393 177.8999 30 C 3.1354 8.2136 118.7923 59.2498 42.8980 175.3526 31 L 4.0132 8.4455 121.9910 58.2366 41.6231 178.8575 32 A 4.2877 8.1770 122.0267 54.3938 18.2798 179.3940 33 K 2.9230 8.1889 118.3143 59.3921 32.0261 179.1745 34 W 4.0306 7.5109 117.5110 59.6153 28.9978 178.2029 35 E 4.3254 8.4917 118.5928 58.6505 29.2328 177.8321 36 S 4.4787 8.1284 109.3978 56.6803 64.9333 174.6865 37 G 3.5855 8.4288 108.8868 46.8686 0.0000 174.0336 38 Y 3.7090 7.7460 113.8853 58.1363 35.3440 168.1518 39 N 5.2907 7.8227 120.2172 52.2319 39.5630 176.1338 40 T 3.9409 9.0592 117.5393 64.3909 69.0158 175.9201 41 R 4.2572 8.4123 119.3155 56.0847 30.6030 176.3192 42 A 4.2241 7.6853 122.0442 52.9352 19.2880 176.9635 43 T 4.8209 8.3830 111.7618 59.9039 72.0762 172.7081 44 N 4.9448 8.5408 123.6160 51.9331 41.9823 172.2448 45 Y 4.7268 8.8229 123.8326 56.8068 39.3594 174.9643 46 N 4.7673 8.7093 121.8212 51.9110 41.1373 174.6676 *49 D 4.7353 8.5679 118.2742 54.2864 42.5781 177.1842 50 R 4.6668 7.7359 113.7445 55.2267 31.5810 174.4665 51 S 4.7059 7.4609 111.6365 58.0515 66.3303 173.5075 52 T 4.8906 8.7902 116.4212 61.8591 72.6003 172.7323 53 D 5.4882 8.6775 125.0665 52.9700 43.4276 175.0581 54 Y 4.8997 9.2188 120.4946 57.3709 41.8385 177.5119 55 G 4.6081 8.9810 111.2787 46.0189 0.0000 173.8832 56 I 3.7888 8.0215 116.5936 62.6141 38.1066 178.0940 57 F 4.8697 7.7590 115.5736 56.2806 40.3508 174.9167 58 Q 3.6445 7.6834 118.8425 57.0591 26.2200 173.1043 59 I 4.5542 8.4454 119.9840 60.8422 39.0072 176.2449 60 N 5.4923 9.2486 125.3248 53.4058 40.1279 175.4709 61 S 4.6087 8.9317 119.2364 60.1247 63.6260 175.3851 62 R 3.7089 8.6456 122.6468 59.3641 30.1789 177.4245 63 Y 4.0757 7.1476 114.7450 58.5320 40.3861 178.1316 64 W 4.6567 8.1872 118.8904 58.5807 29.8281 173.8611 65 C 5.5456 8.1360 109.7318 53.4245 41.0247 172.0854 66 N 4.9105 8.8527 119.1126 52.0400 39.5969 174.5679 67 D 4.6658 8.6678 123.4126 52.2912 40.0744 176.8690 68 G 3.9486 8.8516 107.3939 46.3346 0.0000 174.3895 69 K 4.5943 8.4035 116.4033 56.2870 33.4232 175.6388 70 T 4.5419 7.6636 116.7092 61.2304 70.2291 172.0899 71 P 4.2060 0.0000 0.0000 63.7661 31.7824 176.6614 72 G 3.7648 8.9193 110.1865 45.5261 0.0000 173.0227 73 A 4.1644 7.2910 119.9329 52.5493 18.5192 178.1153 74 V 4.1751 8.1701 122.3381 61.0821 34.1199 175.3054 75 N 4.9921 8.0333 121.5515 51.6953 37.7873 174.2670 76 A 4.1038 8.8385 123.5259 54.7034 19.1288 178.7116 77 C 4.4676 8.8470 111.2975 56.5902 40.8996 173.7887 78 H 3.9750 7.5200 115.4587 56.1421 26.2720 174.2806 79 L 4.7282 8.1621 118.1545 53.1514 46.6108 176.5677 80 S 4.7067 8.4028 116.0342 57.9774 64.1468 176.1179 81 C 4.1134 8.9998 120.6711 59.8223 34.0278 176.6402 82 S 3.8165 7.8786 115.1805 60.9490 62.3222 175.8810 83 A 4.1679 7.6187 122.8646 53.8560 17.9873 178.2959 84 L 4.5152 7.9679 117.1847 54.5770 41.6502 177.3574 85 L 5.0596 7.3175 117.4866 54.5133 42.1184 176.4145 86 Q 4.3783 7.7508 118.3838 55.1173 29.5952 176.9222 87 D 4.0439 8.6490 121.0837 56.7788 41.1438 176.2909 88 N 4.6826 7.5173 118.2480 52.7284 39.4643 174.9047 89 I 4.2226 8.3844 118.5177 61.1164 38.1425 177.1428 90 A 3.9172 7.9165 125.0707 55.8821 18.1540 180.0386 91 D 4.3222 8.0609 116.5910 57.1601 40.9807 178.7095 92 A 4.0546 7.8955 121.0420 55.0664 18.4234 179.6279 93 V 3.4659 8.0727 116.8120 66.0492 31.4610 178.0813 94 A 3.8205 7.7765 120.2729 55.3913 18.2566 178.8626 95 C 4.2625 8.7608 117.1577 59.5795 37.8401 175.6105 96 A 3.9184 8.6481 122.9097 54.9262 17.6184 179.7622 97 K 3.9432 7.9153 116.8577 59.4207 32.2972 179.2701 98 R 4.0707 7.7525 119.0073 59.2920 29.9244 178.5173 99 V 2.1205 7.3612 118.0044 65.6625 31.1487 177.6848 100 V 3.9875 7.3464 107.7140 62.0215 31.6338 177.4634 101 R 4.1589 7.8245 118.8546 57.0118 30.7122 175.9020 102 D 4.6512 7.2952 118.4337 53.1248 42.0262 174.7737 103 P 4.2711 0.0000 0.0000 66.1053 30.8048 177.8178 104 Q 3.9719 8.0910 117.4833 56.5669 29.7777 177.1341 105 G 4.0674 7.8357 106.3413 45.7422 0.0000 174.7159 106 I 3.8898 7.7123 119.3906 62.8247 38.0689 177.9457 107 R 4.4080 7.2983 116.4353 57.7210 30.1275 177.3531 108 A 3.8473 7.6477 121.4428 53.8988 18.6797 177.6136 109 W 4.7734 8.0684 116.9311 55.1371 30.3162 177.3443 110 V 3.7023 8.7504 123.5982 66.0862 30.9712 177.7046 111 A 4.0671 8.2587 119.9914 54.5903 18.1664 179.3488 112 W 3.9428 8.3887 127.2356 60.4981 30.5916 177.9793 113 R 3.6491 8.2315 116.9899 59.7639 29.5653 177.6754 114 N 4.3871 7.8246 114.0110 54.8442 38.7569 176.6181 115 R 4.0625 7.6176 116.3452 55.4992 31.9188 175.4989 116 C 4.5782 7.1504 114.6211 57.8402 42.6537 174.2038 117 Q 3.1109 6.7216 119.8927 57.3785 28.5976 175.7244 118 N 4.2116 8.6709 120.9219 54.3536 36.2154 173.8660 119 R 4.5760 7.3236 114.8878 53.8971 33.7306 175.2017 120 D 4.4924 8.5899 119.1261 54.6158 40.9952 176.0273 121 V 4.6262 8.2995 119.2058 61.2371 32.5295 178.2214 122 R 4.0830 8.2146 121.8624 59.1216 30.2016 178.8598 123 Q 3.9692 8.2580 115.7741 59.3764 28.4073 178.5128 124 Y 4.2664 7.7219 115.0008 60.1949 38.1229 177.1880 125 V 4.5203 7.9398 110.9709 60.7771 33.0200 174.9760 126 Q 4.1275 7.7600 118.7086 56.8609 28.9818 176.6803 127 G 3.9377 8.8868 109.7584 46.1730 0.0000 174.5790 128 C 4.4995 7.8274 115.0165 56.1221 40.9113 174.0817 129 G 3.8989 8.0974 106.9876 46.7606 0.0000 174.0783 130 V 3.9948 7.9129 117.9139 61.0650 31.9455 175.9924 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 K 8.17 4.14 0.00 2.10 1.64 0.00 1.25 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.19 7.81 2 V 8.22 4.56 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 9.96 4.44 0.00 2.80 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 4 E 8.93 4.34 0.00 1.94 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 0.00 2.29 2.39 0.00 5 R 8.74 3.41 0.00 1.96 1.92 0.00 3.38 0.00 0.00 3.46 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 6 C 8.05 4.28 0.00 3.00 3.12 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 7 E 8.10 3.90 0.00 2.06 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 0.00 2.53 2.40 0.00 8 L 8.01 3.56 0.00 1.33 1.36 -0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.06 3.96 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 10 R 8.35 3.92 0.00 2.06 1.99 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 11 T 7.87 3.91 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 1.21 0.00 0.00 12 L 7.84 3.86 0.00 1.64 1.58 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.88 3.88 0.00 2.03 1.93 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.61 7.81 14 R 7.65 3.97 0.00 1.99 2.12 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 15 L 7.62 4.43 0.00 1.53 1.54 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.84 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 17 M 7.95 3.84 0.00 1.32 2.01 0.00 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 18 D 8.05 4.39 0.00 2.68 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 19 G 9.48 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 20 Y 8.26 4.22 0.00 3.36 3.21 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 21 R 9.02 3.50 0.00 1.73 1.77 0.00 3.21 0.00 0.00 2.95 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 22 G 8.07 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 0.00 0.00 0.00 23 I 7.46 3.98 1.58 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.54 -0.37 0.00 0.00 24 S 8.22 4.65 0.00 4.10 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 25 L 8.46 4.20 0.00 2.06 1.81 1.00 1.17 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 26 A 8.22 4.22 1.51 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 0.00 0.00 27 N 8.13 4.46 0.00 2.73 2.75 0.00 0.00 7.03 8.78 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 28 W 7.89 4.19 0.00 3.61 3.12 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 29 M 8.74 4.17 0.00 2.15 2.44 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.96 0.00 30 C 8.21 3.14 0.00 2.54 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 31 L 8.45 4.01 0.00 1.86 1.88 0.75 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.18 4.29 1.56 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 33 K 8.19 2.92 0.00 1.30 1.74 0.00 0.77 0.00 0.00 1.14 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.23 7.81 34 W 7.51 4.03 0.00 3.46 3.30 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 35 E 8.49 4.33 0.00 1.96 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 2.52 2.23 0.00 36 S 8.13 4.48 0.00 4.04 4.10 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 37 G 8.43 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 3.71 0.00 3.27 3.01 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 39 N 7.82 5.29 0.00 2.71 2.81 0.00 0.00 6.96 8.53 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 40 T 9.06 3.94 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 1.39 0.00 0.00 41 R 8.41 4.26 0.00 1.97 2.04 0.00 3.20 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 42 A 7.69 4.22 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 43 T 8.38 4.82 3.72 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 1.05 0.00 0.00 44 N 8.54 4.94 0.00 2.91 2.65 0.00 0.00 6.82 7.69 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 45 Y 8.82 4.73 0.00 2.89 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 46 N 8.71 4.77 0.00 2.72 2.78 0.00 0.00 7.07 7.67 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 *49 D 8.57 4.74 0.00 2.69 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 50 R 7.74 4.67 0.00 1.75 1.86 0.00 3.25 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 51 S 7.46 4.71 0.00 3.83 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 52 T 8.79 4.89 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 0.14 0.00 0.00 53 D 8.68 5.49 0.00 2.66 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 54 Y 9.22 4.90 0.00 2.86 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 55 G 8.98 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 56 I 8.02 3.79 1.63 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 2.22 -0.15 0.00 0.00 57 F 7.76 4.87 0.00 3.05 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 58 Q 7.68 3.64 0.00 2.49 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 59 I 8.45 4.55 2.13 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 1.14 0.00 0.00 60 N 9.25 5.49 0.00 3.17 3.23 0.00 0.00 6.98 7.63 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 61 S 8.93 4.61 0.00 4.07 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 62 R 8.65 3.71 0.00 1.48 0.72 0.00 2.65 0.00 0.00 2.95 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.19 0.00 63 Y 7.15 4.08 0.00 1.50 2.38 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 64 W 8.19 4.66 0.00 3.77 3.30 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 65 C 8.14 5.55 0.00 3.18 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 66 N 8.85 4.91 0.00 2.78 2.69 0.00 0.00 7.17 9.05 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 67 D 8.67 4.67 0.00 2.81 2.60 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 68 G 8.85 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 0.00 0.00 0.00 69 K 8.40 4.59 0.00 1.89 1.89 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.34 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.48 7.81 70 T 7.66 4.54 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 1.22 0.00 0.00 71 P 0.00 4.21 0.00 2.01 1.97 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 72 G 8.92 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 73 A 7.29 4.16 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 74 V 8.17 4.18 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 0.65 0.00 0.00 0.89 0.00 0.00 75 N 8.03 4.99 0.00 2.79 2.56 0.00 0.00 6.84 8.67 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 76 A 8.84 4.10 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 77 C 8.85 4.47 0.00 3.27 3.26 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 0.00 78 H 7.52 3.98 0.00 3.33 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.16 4.73 0.00 1.72 1.51 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.40 4.71 0.00 3.94 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 81 C 9.00 4.11 0.00 2.22 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 82 S 7.88 3.82 0.00 4.02 4.08 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 0.00 0.00 0.00 0.00 83 A 7.62 4.17 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 84 L 7.97 4.52 0.00 1.84 1.76 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.32 5.06 0.00 1.67 1.69 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.75 4.38 0.00 2.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 87 D 8.65 4.04 0.00 2.61 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 88 N 7.52 4.68 0.00 2.63 2.72 0.00 0.00 7.17 7.82 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 89 I 8.38 4.22 1.72 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.53 0.91 0.00 0.00 90 A 7.92 3.92 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 91 D 8.06 4.32 0.00 2.73 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 92 A 7.90 4.05 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 93 V 8.07 3.47 1.97 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 0.78 0.00 0.00 0.90 0.00 0.00 94 A 7.78 3.82 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 95 C 8.76 4.26 0.00 3.07 3.26 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 0.00 96 A 8.65 3.92 1.01 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 0.00 0.00 97 K 7.92 3.94 0.00 1.59 1.42 0.00 1.25 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.95 7.81 98 R 7.75 4.07 0.00 1.92 2.10 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 99 V 7.36 2.12 1.95 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 -0.07 0.00 0.00 -0.57 0.00 0.00 100 V 7.35 3.99 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 0.96 0.00 0.00 1.38 0.00 0.00 101 R 7.82 4.16 0.00 2.16 2.09 0.00 3.35 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 102 D 7.30 4.65 0.00 3.08 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.19 2.18 0.00 3.84 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 1.97 2.00 0.00 104 Q 8.09 3.97 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.73 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 105 G 7.84 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 0.00 0.00 0.00 106 I 7.71 3.89 1.10 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.09 -0.49 0.00 0.00 107 R 7.30 4.41 0.00 2.05 2.04 0.00 3.25 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.60 0.00 108 A 7.65 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.07 4.77 0.00 3.59 3.26 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 0.00 110 V 8.75 3.70 2.18 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 1.09 0.00 0.00 0.98 0.00 0.00 111 A 8.26 4.07 1.53 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 0.00 0.00 112 W 8.39 3.94 0.00 3.50 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.65 0.00 1.96 2.13 0.00 3.45 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 114 N 7.82 4.39 0.00 2.59 2.66 0.00 0.00 6.91 7.64 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 0.00 115 R 7.62 4.06 0.00 0.67 0.66 0.00 2.70 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.21 0.00 116 C 7.15 4.58 0.00 1.79 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 0.00 117 Q 6.72 3.11 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.80 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 118 N 8.67 4.21 0.00 2.78 2.81 0.00 0.00 6.86 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 0.00 119 R 7.32 4.58 0.00 1.78 1.78 0.00 3.19 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 120 D 8.59 4.49 0.00 2.63 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 0.00 121 V 8.30 4.63 2.38 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 1.10 0.00 0.00 1.11 0.00 0.00 122 R 8.21 4.08 0.00 2.05 2.24 0.00 3.17 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 123 Q 8.26 3.97 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.90 0.00 0.00 0.00 0.00 0.00 2.26 1.65 0.00 124 Y 7.72 4.27 0.00 3.31 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 0.00 125 V 7.94 4.52 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 1.05 0.00 0.00 126 Q 7.76 4.13 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 127 G 8.89 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 0.00 128 C 7.83 4.50 0.00 3.14 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 0.00 129 G 8.10 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 0.00 130 V 7.91 3.99 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 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.