NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.3357 8.1429 121.0182 55.2166 42.1380 178.2279 7 E 3.8564 8.8363 117.7654 61.2312 29.4187 175.5377 8 E 4.2002 8.4471 117.6504 59.9138 30.2405 179.2267 9 L 4.7298 7.6577 117.2645 57.6605 43.6290 177.8181 10 E 3.9245 7.9993 117.2494 59.4310 29.3597 178.9836 11 Q 3.9649 8.4249 119.2321 58.8989 28.8776 178.3761 12 F 4.0926 8.4892 120.7539 61.5256 39.1229 176.7778 13 A 3.9687 7.8587 120.2565 55.0558 18.1506 179.5712 14 K 3.8867 7.7910 117.5356 59.9304 32.2898 179.2819 15 T 3.9084 7.9911 116.1067 66.3745 68.3233 176.2435 16 F 3.7322 8.1190 123.0338 61.3328 39.2872 177.0965 17 K 4.0966 7.8370 120.0614 58.9081 31.9011 178.6996 18 Q 3.9069 7.6073 116.8490 59.0084 28.7012 178.8477 19 R 3.7639 7.7454 118.8567 59.2048 30.1904 178.7103 20 R 3.8472 8.0692 118.6742 59.8301 29.9385 178.2841 21 I 3.7002 7.8196 119.0702 64.5587 36.9569 178.6792 22 K 3.9752 8.2345 118.1700 59.2353 31.9443 178.7354 23 L 4.0676 8.1372 117.2310 54.9920 41.4993 177.7973 24 G 3.9210 7.8643 107.1900 45.7992 0.0000 173.3020 25 F 5.3727 7.9024 117.2448 55.8298 41.3937 175.9893 26 T 4.6393 8.1936 113.6579 60.3390 72.1239 175.8729 27 Q 4.1083 8.7842 121.2633 59.2824 28.6899 179.9676 28 G 3.4627 7.9696 106.1271 47.9216 0.0000 175.0470 29 D 4.1602 8.2592 122.7350 57.4759 40.7747 179.1214 30 V 3.0376 7.9184 118.7423 64.9293 31.3212 177.9538 31 G 3.9789 8.0069 105.6087 47.5213 0.0000 174.8821 32 L 4.0837 7.6291 121.7057 57.7551 42.4721 178.6137 33 A 4.1010 7.8211 120.3116 55.0529 18.0962 179.4346 34 M 4.2162 8.5839 118.2559 58.5337 31.8543 179.0127 35 G 3.6498 7.9561 105.2169 46.8117 0.0000 175.9966 36 K 4.1095 7.8763 121.9923 59.7792 32.7681 179.5800 37 L 4.4216 8.5574 123.2048 59.3249 41.0189 179.8646 *38 Y 4.8570 7.5371 112.8864 56.5158 39.6475 182.6355 39 G 4.2887 8.4098 114.4466 47.9878 0.0000 177.5902 40 N 4.6439 8.1324 116.9230 50.8597 36.8087 177.9753 41 D 4.7951 6.8274 120.3245 55.7980 43.7577 175.9218 42 F 4.9292 8.1618 123.7912 55.6038 42.9754 174.5816 43 S 4.7486 8.3707 117.1051 56.6941 65.0057 174.7287 44 Q 3.9593 8.7458 122.4626 60.2031 28.4046 179.4835 45 T 3.8917 7.8786 115.9912 66.6810 68.4297 176.7157 46 T 3.8870 8.2682 118.0927 66.8256 68.5857 176.8077 47 I 3.6209 7.7593 121.1876 64.3728 36.8228 178.2732 48 S 4.1146 8.3973 114.0635 61.6863 62.2741 176.4158 49 R 3.9398 8.2365 120.7564 59.0549 29.6758 178.9801 50 F 4.0204 8.3458 120.6542 61.2545 39.2599 177.0660 51 E 4.1675 8.6474 116.7771 57.8150 29.0198 177.7756 52 A 4.6312 7.2321 119.1844 50.3809 20.2377 175.8422 53 L 3.4540 7.6909 116.1292 56.3293 39.6363 174.9004 54 N 4.8891 8.3608 112.0788 52.9667 39.0421 175.0320 55 L 4.7311 7.4216 117.9928 52.6893 44.2708 177.0385 56 S 4.3750 8.2208 115.3792 58.2255 64.9599 174.8692 57 F 4.0452 8.8874 124.6631 61.7096 38.9198 177.7329 58 K 3.9294 8.1156 117.4543 59.1531 32.0316 178.6592 59 N 4.2467 8.7564 117.7565 56.9765 38.9302 176.4173 60 M 4.0958 8.3582 120.3020 58.7935 31.8676 178.5809 61 S 3.8780 7.4727 113.5425 61.8833 63.1715 176.9344 62 K 4.0129 8.0503 120.4201 58.9655 32.1728 178.2880 63 L 3.9971 7.8459 119.2732 56.7761 41.8300 178.6851 64 K 3.8793 8.4650 120.1588 59.2230 32.0290 176.4957 65 P 4.0779 0.0000 0.0000 65.6136 30.9665 178.3311 66 L 3.9505 7.5483 117.1789 58.0149 41.3903 179.6621 67 L 4.1530 7.4364 118.0331 57.3058 41.7790 178.5854 68 E 4.2301 8.5629 122.3110 59.8618 29.3933 179.7596 69 K 3.9888 8.4579 123.9499 59.6832 31.7949 180.7000 70 W 4.3293 8.0038 129.7225 60.0869 30.4619 177.7955 71 L 3.3157 8.5899 120.4168 58.0359 41.4183 178.6418 72 N 4.2431 7.6521 114.4398 56.2841 38.5778 176.6000 73 D 4.3248 7.9486 117.8376 57.3146 41.4503 177.4611 74 A 3.8119 7.5633 120.5302 55.1698 18.2452 178.8104 75 E 4.0219 8.1276 114.0564 56.1878 29.9488 176.5706 *102 R 3.9387 7.3882 118.8935 55.3110 30.8038 174.6578 103 K 3.7562 8.7430 126.0113 56.6813 32.5411 175.9592 104 K 3.9841 8.4111 126.8913 55.7246 32.7888 176.0889 105 R 3.8826 8.4986 125.6902 56.7018 30.0202 176.3540 106 T 3.9058 8.4381 122.5708 63.7381 69.0492 173.8038 107 S 4.5180 8.4390 119.7167 56.5472 63.2268 173.7087 108 I 4.0861 8.2086 129.8651 60.0339 37.0667 175.3858 109 E 4.1467 8.9886 127.1876 56.6647 30.3177 178.3083 110 T 3.5942 8.0976 122.1768 65.6920 68.3361 175.4517 111 N 4.2174 8.2417 117.9293 57.0227 38.7704 177.5135 112 I 3.6875 8.2096 120.8922 63.8946 37.0759 178.7009 113 R 3.6182 7.7098 119.3417 59.5028 30.1185 178.4111 114 V 3.6130 7.8180 112.0463 64.7282 31.5235 178.5107 115 A 3.9570 7.7263 119.7764 55.2174 18.2248 179.7577 116 L 3.6407 7.5027 117.4064 57.4812 41.3869 179.5965 117 E 4.2585 8.6847 119.0895 59.3203 29.3093 179.3853 118 K 4.0001 8.0446 118.4991 59.7686 32.2308 179.4279 119 S 4.2517 8.3678 113.1533 61.2346 61.9982 175.9350 120 F 4.8443 8.2180 123.0471 61.2119 39.2825 176.9328 121 L 4.0118 8.0529 117.5604 56.9368 41.4654 178.9171 122 E 4.3126 7.7037 118.3048 57.6774 29.7006 176.9048 123 N 4.7204 7.7904 117.1749 52.6111 41.5498 174.1783 124 Q 4.1741 8.6044 125.0742 57.7257 29.7104 176.4641 125 K 4.7150 8.0034 116.4831 53.6749 32.3972 174.2911 126 P 4.3722 0.0000 0.0000 62.8319 32.4257 177.7940 127 T 4.3036 9.4810 112.8452 60.4072 71.4294 175.8689 128 S 4.0714 8.5591 115.7688 62.0367 62.4577 176.6508 129 E 3.9099 8.0453 121.7773 58.9697 29.3708 178.8190 130 E 3.9834 7.7458 117.3080 59.7203 29.4809 179.6826 131 I 3.7279 8.1842 120.0338 64.5131 37.0225 178.6247 132 T 3.8927 7.8600 116.6844 66.7382 68.2646 176.6328 133 M 4.0274 8.4046 120.9521 58.4885 31.9055 178.7404 134 I 3.6519 8.1432 120.0076 64.3505 37.3028 178.2203 135 A 3.9849 8.4997 121.6775 55.3176 18.0057 179.1750 136 D 4.2636 8.0871 116.1477 57.8288 41.1068 178.8676 137 Q 4.0756 8.5026 118.3836 58.3466 29.0190 177.3387 138 L 4.4826 7.3240 117.1334 53.0788 44.3918 175.3711 139 N 4.1816 8.4781 115.1628 54.6988 35.7329 173.4430 140 M 4.8814 7.3952 115.3727 52.6182 36.6618 176.4251 141 E 4.1318 8.6061 120.7561 55.8287 30.9893 177.5953 142 K 3.8628 8.7527 125.4906 59.8754 32.3005 177.8335 143 E 3.9318 8.2760 118.6549 59.4021 29.4353 178.6813 144 V 3.6547 7.8434 117.4818 66.2469 31.6557 177.7300 145 I 3.8725 7.8262 119.4057 64.5526 36.8409 178.3264 146 R 4.0501 8.3639 119.7551 59.5688 29.8985 178.8006 147 V 3.6600 8.1046 118.0648 65.5839 31.4605 177.5798 148 W 3.9556 8.7259 128.6426 60.7033 30.3958 178.0010 149 F 3.7561 8.6787 117.4775 60.3644 38.2942 177.6570 150 S 4.1199 8.0265 112.9656 61.4904 62.2492 175.9948 151 N 4.1405 8.3774 119.5844 56.2194 38.1440 177.3620 152 R 3.2015 7.2803 120.2763 59.0704 29.8008 178.8668 153 R 4.0167 8.0915 118.1782 59.3376 29.8833 178.8124 154 Q 3.9470 7.9348 116.9409 58.8234 28.8913 178.8041 155 K 3.9354 8.2443 120.7006 59.6179 32.0585 178.2203 156 E 3.9021 8.0229 118.2717 59.3779 29.5478 178.2784 157 K 4.1136 8.0661 117.4106 57.0272 32.7000 176.5311 158 R 4.6207 7.5740 117.8834 54.4561 32.0221 176.3208 159 I 3.6859 8.1208 120.6031 62.4537 38.0329 173.7217 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 6 L 8.14 4.34 0.00 1.89 1.96 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.84 3.86 0.00 2.08 2.00 0.00 0.00 0.00 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 2.00 0.00 8 E 8.45 4.20 0.00 2.05 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 0.00 2.24 1.97 0.00 9 L 7.66 4.73 0.00 1.76 1.83 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.00 3.92 0.00 2.26 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 2.60 2.42 0.00 11 Q 8.42 3.96 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 12 F 8.49 4.09 0.00 3.24 3.35 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 13 A 7.86 3.97 1.14 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 14 K 7.79 3.89 0.00 1.85 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 15 T 7.99 3.91 4.18 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 1.19 0.00 0.00 16 F 8.12 3.73 0.00 2.48 3.16 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 17 K 7.84 4.10 0.00 1.92 1.81 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 18 Q 7.61 3.91 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 19 R 7.75 3.76 0.00 1.77 1.82 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 20 R 8.07 3.85 0.00 1.26 1.91 0.00 3.19 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 21 I 7.82 3.70 2.04 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 1.53 0.73 0.90 0.00 0.00 22 K 8.23 3.98 0.00 1.72 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.59 7.81 23 L 8.14 4.07 0.00 1.64 1.22 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.86 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 25 F 7.90 5.37 0.00 3.15 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 26 T 8.19 4.64 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 1.30 0.00 0.00 27 Q 8.78 4.11 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 28 G 7.97 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 0.00 0.00 0.00 29 D 8.26 4.16 0.00 2.59 1.81 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 30 V 7.92 3.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.46 0.00 0.00 31 G 8.01 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 32 L 7.63 4.08 0.00 1.76 1.53 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.82 4.10 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 34 M 8.58 4.22 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 35 G 7.96 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 0.00 0.00 0.00 36 K 7.88 4.11 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.68 7.81 37 L 8.56 4.42 0.00 1.69 1.59 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.54 4.86 0.00 2.12 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 0.00 0.00 0.00 39 G 8.41 4.29 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 0.00 40 N 8.13 4.64 0.00 2.63 2.57 0.00 0.00 6.45 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 41 D 6.83 4.80 0.00 2.43 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 0.00 0.00 0.00 42 F 8.16 4.93 0.00 3.03 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 43 S 8.37 4.75 0.00 4.00 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 44 Q 8.75 3.96 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 45 T 7.88 3.89 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 1.23 0.00 0.00 46 T 8.27 3.89 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 1.15 0.00 0.00 47 I 7.76 3.62 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.89 0.97 0.00 0.00 48 S 8.40 4.11 0.00 4.16 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 49 R 8.24 3.94 0.00 2.21 2.01 0.00 3.20 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 50 F 8.35 4.02 0.00 3.10 3.11 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 51 E 8.65 4.17 0.00 2.15 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 0.00 2.78 2.81 0.00 52 A 7.23 4.63 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 53 L 7.69 3.45 0.00 1.75 1.70 0.88 0.68 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 54 N 8.36 4.89 0.00 2.67 2.79 0.00 0.00 6.73 8.33 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 55 L 7.42 4.73 0.00 1.60 1.58 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.22 4.38 0.00 4.10 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 57 F 8.89 4.05 0.00 3.20 3.16 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 58 K 8.12 3.93 0.00 1.91 1.88 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.80 7.81 59 N 8.76 4.25 0.00 2.72 2.91 0.00 0.00 7.21 8.31 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 60 M 8.36 4.10 0.00 1.83 2.09 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.86 0.00 61 S 7.47 3.88 0.00 3.79 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 62 K 8.05 4.01 0.00 1.70 1.95 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 63 L 7.85 4.00 0.00 1.97 1.35 0.79 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.47 3.88 0.00 1.89 1.93 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.46 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.09 0.88 7.81 65 P 0.00 4.08 0.00 2.12 2.00 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 66 L 7.55 3.95 0.00 1.59 1.63 0.85 0.80 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 67 L 7.44 4.15 0.00 1.63 1.55 -0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.56 4.23 0.00 1.82 2.04 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 2.23 2.54 0.00 69 K 8.46 3.99 0.00 1.78 1.80 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 70 W 8.00 4.33 0.00 3.52 3.57 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 71 L 8.59 3.32 0.00 2.36 1.81 0.77 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 N 7.65 4.24 0.00 2.87 2.84 0.00 0.00 7.07 8.82 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 73 D 7.95 4.32 0.00 2.79 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 74 A 7.56 3.81 0.01 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 75 E 8.13 4.02 0.00 1.76 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 2.09 2.30 0.00 *102 R 7.39 3.94 0.00 1.73 1.80 0.00 3.22 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 103 K 8.74 3.76 0.00 1.74 1.72 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.45 7.81 104 K 8.41 3.98 0.00 1.73 1.67 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.39 7.81 105 R 8.50 3.88 0.00 1.80 1.85 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 106 T 8.44 3.91 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 1.22 0.00 0.00 107 S 8.44 4.52 0.00 3.80 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 0.00 108 I 8.21 4.09 1.93 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 1.37 1.12 0.84 0.00 0.00 109 E 8.99 4.15 0.00 2.03 1.78 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 0.00 2.36 2.37 0.00 110 T 8.10 3.59 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 0.00 111 N 8.24 4.22 0.00 2.77 2.87 0.00 0.00 6.95 7.32 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 0.00 112 I 8.21 3.69 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 0.73 0.00 0.00 113 R 7.71 3.62 0.00 1.88 2.01 0.00 3.26 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 114 V 7.82 3.61 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 0.79 0.00 0.00 0.97 0.00 0.00 115 A 7.73 3.96 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 0.00 116 L 7.50 3.64 0.00 0.83 0.13 -0.75 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.68 4.26 0.00 1.99 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 0.00 2.48 2.59 0.00 118 K 8.04 4.00 0.00 2.02 1.90 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.70 7.81 119 S 8.37 4.25 0.00 3.99 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 0.00 120 F 8.22 4.84 0.00 3.38 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 0.00 121 L 8.05 4.01 0.00 1.85 1.72 0.98 0.91 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 0.00 122 E 7.70 4.31 0.00 2.10 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 0.00 2.35 2.32 0.00 123 N 7.79 4.72 0.00 2.61 2.66 0.00 0.00 7.33 6.68 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 0.00 124 Q 8.60 4.17 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.14 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 125 K 8.00 4.71 0.00 1.71 1.72 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.39 7.81 126 P 0.00 4.37 0.00 1.84 1.71 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 127 T 9.48 4.30 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 1.23 0.00 0.00 128 S 8.56 4.07 0.00 4.06 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 0.00 129 E 8.05 3.91 0.00 2.01 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 0.00 2.39 2.38 0.00 130 E 7.75 3.98 0.00 2.19 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 2.30 2.33 0.00 131 I 8.18 3.73 2.00 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 1.32 0.67 0.94 0.00 0.00 132 T 7.86 3.89 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 0.00 133 M 8.40 4.03 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 134 I 8.14 3.65 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.98 0.00 0.00 135 A 8.50 3.98 1.40 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 0.00 136 D 8.09 4.26 0.00 2.95 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 0.00 137 Q 8.50 4.08 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 138 L 7.32 4.48 0.00 1.53 1.61 0.83 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.48 4.18 0.00 2.82 2.89 0.00 0.00 6.74 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 0.00 140 M 7.40 4.88 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 141 E 8.61 4.13 0.00 2.03 1.89 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 2.40 2.36 0.00 142 K 8.75 3.86 0.00 1.82 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 143 E 8.28 3.93 0.00 2.14 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 0.00 2.40 2.48 0.00 144 V 7.84 3.65 2.26 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 1.16 0.00 0.00 0.96 0.00 0.00 145 I 7.83 3.87 2.16 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 1.60 1.09 1.11 0.00 0.00 146 R 8.36 4.05 0.00 2.02 2.15 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 147 V 8.10 3.66 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 0.93 0.00 0.00 1.03 0.00 0.00 148 W 8.73 3.96 0.00 3.57 3.47 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 0.00 149 F 8.68 3.76 0.00 3.58 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 0.00 150 S 8.03 4.12 0.00 4.01 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 0.00 151 N 8.38 4.14 0.00 2.48 2.54 0.00 0.00 6.70 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 0.00 152 R 7.28 3.20 0.00 0.67 0.92 0.00 2.37 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 8.09 4.02 0.00 2.04 2.04 0.00 3.31 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 154 Q 7.93 3.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 155 K 8.24 3.94 0.00 1.60 1.74 0.00 1.49 0.00 0.00 1.34 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.35 7.81 156 E 8.02 3.90 0.00 2.25 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 2.56 2.48 0.00 157 K 8.07 4.11 0.00 1.99 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.53 7.81 158 R 7.57 4.62 0.00 1.79 1.80 0.00 3.32 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 159 I 8.12 3.69 1.87 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 1.27 0.24 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.