NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.2672 8.1133 117.3833 55.9190 31.6696 173.8341 12 K 4.5512 8.3679 121.2217 54.9905 34.1894 173.9453 13 I 4.6688 9.1942 126.7981 59.4499 40.5878 174.1767 14 I 4.5714 8.1709 128.7498 60.1281 38.8931 174.7174 15 I 4.7588 8.7565 128.4602 58.8788 39.1107 176.3120 16 A 4.6332 8.6745 132.5952 50.6804 16.7735 176.9633 17 S 4.5470 7.6389 112.8986 58.0912 65.5585 173.9544 18 Q 4.4827 8.5052 123.3306 55.6339 29.3069 175.8135 19 N 4.4441 8.3153 119.0007 52.8107 39.8692 173.3567 20 P 4.2165 0.0000 0.0000 65.9411 31.5320 178.4009 21 A 4.1015 7.9917 118.7764 55.0369 18.3802 179.7413 22 K 4.0426 7.9579 116.5839 59.5804 32.2789 179.6489 23 V 3.6280 7.9767 118.6067 66.0535 31.3472 177.8659 24 N 4.1732 8.7243 116.5096 56.0324 38.2479 177.2173 25 A 3.9909 8.0595 122.3934 55.1123 18.3937 179.8996 26 V 3.6040 7.6776 116.2430 66.0990 31.5596 178.2510 27 R 2.5704 7.7771 118.0307 59.0504 29.8764 179.0069 28 S 4.0126 8.2132 112.6087 61.1591 62.4000 175.8501 29 A 3.8694 8.1604 123.5360 55.3962 18.1272 179.7069 30 F 3.7162 8.5273 116.3531 60.7217 38.7129 178.2504 31 S 4.4408 8.3422 113.8812 61.4931 62.5992 176.7259 32 T 4.1056 7.7596 118.0938 66.6278 68.5058 176.9030 33 V 3.5402 7.5512 118.5555 64.1791 33.1098 176.1980 34 F 5.2921 8.2078 116.5112 55.8225 38.8528 174.3036 35 P 4.7543 0.0000 0.0000 64.7204 32.0475 177.4336 36 D 4.7776 8.2078 117.4633 54.3108 41.3764 175.8936 37 Q 4.3580 7.7883 118.1201 54.0290 30.6481 174.7167 38 E 4.3532 7.8538 119.9877 54.8155 30.7901 175.7440 39 W 5.0495 8.4603 122.7196 54.7171 32.6433 174.1153 40 E 4.5995 9.1089 125.5755 54.3805 31.4689 174.2693 41 F 5.0568 8.8462 125.3230 55.7938 41.4218 175.1289 42 I 4.4514 8.7884 124.1358 59.4429 40.2991 174.7065 43 G 4.2840 8.7460 114.9131 45.5945 0.0000 172.4073 44 V 4.7605 8.8679 116.8963 59.5543 36.0908 175.1507 45 S 4.8153 8.6929 118.3509 57.1587 64.0907 174.2830 46 V 4.5657 8.2690 117.5377 58.4467 35.2564 173.8699 47 P 4.5242 0.0000 0.0000 62.8074 31.9225 176.5411 48 S 4.3377 8.5407 113.5997 58.3201 63.8177 174.7109 49 E 3.7664 8.4158 117.9638 56.8875 26.8743 173.4892 50 V 4.5199 7.2839 111.3239 58.8266 35.0544 175.0489 51 A 4.1658 8.4446 123.2616 52.5993 18.5996 177.6101 52 D 4.4579 8.8303 120.9591 56.7686 40.9768 176.7344 53 Q 4.4103 7.6019 119.4766 52.9513 29.2155 173.0969 54 P 4.8330 0.0000 0.0000 61.2575 32.5137 175.4928 *56 S 4.6599 8.1852 112.8392 58.4326 65.1699 173.9189 57 D 4.6856 9.7990 122.0813 57.7020 40.8737 178.1517 58 E 3.8612 8.2318 119.1548 59.4022 29.4058 178.2737 59 E 3.9388 8.2429 119.2935 59.4364 29.7838 178.9080 60 T 3.9999 8.1193 115.8986 66.6435 68.5574 176.6284 61 K 3.5966 8.1245 121.5474 59.2701 31.9247 178.5700 62 Q 3.9414 8.2617 120.2067 59.0062 28.9335 178.5659 63 G 3.5869 8.3306 106.6709 47.7726 0.0000 175.6045 64 A 4.0826 7.9570 123.1366 54.7299 18.3154 179.7323 65 L 3.9190 8.1341 117.7523 58.0556 41.6846 179.4851 66 N 4.3147 8.4439 116.6979 56.4156 38.4197 177.6987 67 R 3.9613 8.1227 119.4275 59.1360 30.0640 179.2806 68 V 3.6376 7.8360 118.0567 66.0005 31.5984 177.9919 69 R 3.7745 8.2272 118.7001 59.6213 29.9297 178.2537 70 N 4.3294 8.6254 116.4365 56.1430 38.4789 177.2810 71 A 4.0897 8.4510 122.6729 55.1665 18.2857 179.8243 72 K 3.2643 7.8284 116.1314 59.3174 32.0705 179.1088 73 Q 4.0191 7.7984 118.8886 59.2120 29.0987 177.9195 74 R 4.0428 7.8328 118.5782 58.3046 31.4880 176.2177 75 H 5.0575 8.0808 113.8332 53.4591 29.1144 171.3021 76 P 4.4899 0.0000 0.0000 63.5488 32.2798 177.6659 77 G 3.9754 9.0530 107.1428 45.1978 0.0000 173.8780 78 A 4.1641 7.8599 122.2770 51.5302 18.8745 177.3685 79 E 3.9935 8.6406 121.1699 58.8517 30.7582 176.4082 80 Y 4.9617 7.4432 114.7887 56.2962 42.9527 173.9859 81 Y 5.0070 9.1264 119.1015 56.2106 41.9132 174.6574 82 V 4.9599 9.1666 124.2001 61.0389 34.5476 174.2370 83 G 4.6597 9.2752 115.7474 44.3630 0.0000 172.9567 84 L 4.9215 8.4480 123.7590 54.2736 43.0818 174.9198 85 E 4.7316 9.2046 125.3538 53.9554 32.3152 174.8732 86 A 4.7434 8.8619 129.0059 52.1404 19.6611 176.1408 87 G 4.6836 8.6464 106.8102 44.8635 0.0000 171.3849 88 I 4.6959 8.0806 119.5530 59.2968 41.0971 175.6196 89 E 4.6562 9.1990 125.9387 55.8408 33.5257 175.2162 90 E 3.6442 8.6013 126.7592 58.0142 28.7654 174.8024 91 N 4.9495 9.0495 121.9448 53.5697 37.6911 174.2072 92 K 5.0689 8.2731 117.4186 55.6614 36.2341 175.1623 93 T 4.7083 8.3341 116.9639 60.5586 71.3606 172.4174 94 F 5.1995 7.3390 119.1770 56.6710 42.0517 172.0704 95 A 5.1255 8.8148 119.5425 50.5273 22.7449 176.5516 96 W 4.5354 8.8684 121.1634 55.5699 32.6245 174.8458 *98 I 4.5013 8.0464 119.5448 61.8848 38.4732 175.1343 99 V 5.0127 9.1437 126.5913 61.2115 34.4881 173.8432 100 E 5.5250 9.6697 127.9111 54.9650 32.5957 176.4984 101 S 5.2301 9.0739 118.8931 56.1234 65.6645 173.3181 102 D 4.5063 8.6860 118.5197 56.1474 39.2719 176.8768 103 Q 4.5371 8.0571 116.2640 55.8074 30.7385 175.0278 104 Q 4.6439 8.2740 117.9439 54.1112 32.4271 173.0795 105 R 5.3268 8.5671 122.1818 54.6298 32.8850 174.4744 106 G 4.7832 9.7362 113.0833 44.1502 0.0000 171.9120 107 E 5.3662 8.5271 119.2519 55.1676 33.8228 174.6313 108 S 4.5751 8.7203 116.0566 57.1797 65.6247 173.0019 109 R 3.9610 7.5844 126.9568 54.1886 30.8765 176.0623 110 S 4.3850 8.7044 121.3256 57.7491 64.0764 173.8430 111 A 4.1779 8.5322 122.8345 52.6919 18.5823 176.8379 112 C 4.7859 8.6349 116.5143 57.1926 31.6039 173.8839 113 L 4.6565 8.5052 124.2227 54.6909 44.4901 174.9020 *115 L 4.5474 8.4075 116.5566 53.7404 43.1675 175.5424 116 P 4.4565 0.0000 0.0000 61.9954 32.2658 175.9232 117 P 4.3014 0.0000 0.0000 65.6100 31.2286 178.8916 118 L 3.9444 7.8426 118.9371 57.8720 41.9481 178.9382 119 V 3.5312 7.6929 117.8106 66.0220 31.5418 177.5954 120 L 3.9286 7.7740 119.5121 58.0056 41.6297 178.4973 121 E 3.9129 8.0093 118.5260 59.3928 29.9051 178.7915 122 R 4.0612 7.9221 117.8999 59.2495 30.1753 178.9098 123 L 4.0164 8.1853 118.9714 57.9999 41.3913 179.7758 124 R 4.1207 7.9360 116.6760 58.3145 29.9182 177.8050 125 Q 4.4311 7.7436 116.7153 54.8917 29.1360 175.1427 126 A 3.7199 7.6226 120.8507 53.2524 16.5882 178.7349 127 K 4.4491 7.8908 117.3678 56.7452 33.9526 176.8142 128 E 4.2669 8.3537 121.4658 55.2918 31.3223 176.8855 129 L 4.0251 8.6798 128.1221 58.6213 42.1943 179.3288 130 G 3.7562 8.3858 103.4551 47.8052 0.0000 174.9015 131 D 4.5845 8.2550 120.9688 56.9776 40.8439 180.1769 132 V 3.9407 7.7914 118.1124 63.1231 31.0531 177.5684 *134 D 4.6162 8.1088 118.2089 54.0540 42.8332 177.7961 135 E 3.9514 8.3750 117.3640 59.5651 29.6625 178.8493 136 V 3.5125 7.8328 116.9396 65.2623 31.5947 176.8097 137 F 4.5182 7.9465 115.8641 57.0423 40.0872 176.4104 138 G 3.9944 8.5960 109.8373 46.2418 0.0000 174.1574 139 T 4.1347 8.6699 121.8794 66.2113 68.5546 176.6773 140 E 3.9837 8.1036 119.6686 59.2950 29.5818 178.7586 141 N 4.2779 8.1901 116.0512 56.5513 38.6893 177.0786 142 I 3.6423 8.0058 121.1067 64.4306 37.2384 178.6608 143 K 3.9541 8.1574 119.2840 59.5782 31.7305 179.5341 144 Q 4.0906 8.4934 116.7076 58.5323 28.6950 177.4827 145 K 4.4676 7.8705 118.0864 55.5659 32.3502 176.9740 146 G 3.7055 7.6039 107.0031 46.7382 0.0000 173.5470 147 G 3.8904 8.4455 105.9455 43.5342 0.0000 175.6312 148 A 3.6403 8.7323 120.9733 55.1768 18.1357 180.2562 149 I 3.6218 7.5789 117.6470 64.3145 37.1872 178.5006 150 G 3.8472 7.9664 106.0843 47.4737 0.0000 174.8913 151 L 3.7923 8.0451 123.3646 58.0238 41.8942 179.2699 152 L 4.0152 7.9407 117.9155 56.7777 41.7426 178.6178 153 T 4.4130 7.6654 108.3543 60.1391 69.3436 174.6561 154 R 3.6633 8.3931 118.3018 58.1716 28.1136 176.7739 155 H 4.1451 8.3482 111.0052 56.5910 27.5078 176.4300 156 H 4.3812 7.9936 117.6177 57.9870 28.8679 175.3141 157 L 4.9380 8.0978 117.6105 52.6211 45.6764 175.2837 158 T 4.8121 8.1225 115.1729 60.6501 73.7721 175.1501 159 R 3.6294 8.4341 123.1938 59.8094 29.8648 178.7756 160 S 4.0321 7.8443 113.3837 61.8671 63.0108 176.4598 161 T 3.9281 7.7540 112.7618 63.9222 68.1496 176.8507 162 V 3.6954 7.8078 121.5005 66.2357 31.5543 177.6253 163 Y 4.3140 8.6083 116.9303 61.2137 37.6197 177.8878 164 H 4.1172 8.5266 119.3751 59.6283 29.9045 177.3631 165 Q 3.9387 7.8117 118.3476 58.8209 28.4922 178.5823 166 A 3.9275 7.7510 121.0935 54.9413 18.1570 179.6434 167 L 3.8886 7.8666 116.7970 57.9626 42.0439 179.4615 168 I 3.6423 7.4985 119.5694 64.4345 37.1151 178.4904 169 L 3.9323 8.0232 119.5251 57.7332 41.4095 179.4389 170 A 4.1433 8.1388 120.3801 54.3342 18.2781 178.6705 171 L 4.6102 7.6229 116.1725 55.3111 41.8465 178.5664 172 I 3.5619 7.3244 121.3754 64.2284 36.9181 176.3114 173 P 3.5373 0.0000 0.0000 64.7290 31.0087 177.8702 174 F 4.7217 7.5176 115.0495 59.5781 39.5409 177.6548 175 I 4.1495 8.1271 119.1639 63.0683 38.4814 176.2474 176 N 5.5506 8.2217 115.4979 49.9699 38.5716 173.4381 177 P 4.5648 0.0000 0.0000 65.3614 32.4095 179.2632 178 E 3.9727 8.3106 117.5935 59.1245 29.5134 178.0153 179 H 4.5341 8.1069 114.0152 56.5565 29.5255 175.1889 180 Y 4.6303 7.2877 116.6601 55.0705 37.9355 173.2897 181 P 4.4606 0.0000 0.0000 63.1906 32.7902 178.3772 182 S 4.4396 8.4708 114.7029 58.3179 62.6471 175.1260 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 11 R 8.11 4.27 0.00 1.91 1.95 0.00 2.52 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 1.12 1.49 0.00 12 K 8.37 4.55 0.00 1.69 1.62 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.46 7.81 13 I 9.19 4.67 1.37 0.00 0.00 -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 0.63 0.32 0.48 0.00 0.00 14 I 8.17 4.57 1.38 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 0.98 0.97 1.06 0.00 0.00 15 I 8.76 4.76 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.95 0.00 0.00 16 A 8.67 4.63 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 17 S 7.64 4.55 0.00 3.84 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 18 Q 8.51 4.48 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 19 N 8.32 4.44 0.00 2.86 2.74 0.00 0.00 7.17 7.23 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 20 P 0.00 4.22 0.00 2.19 2.09 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 21 A 7.99 4.10 1.31 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 0.00 0.00 22 K 7.96 4.04 0.00 2.03 1.91 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.59 7.81 23 V 7.98 3.63 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 1.10 0.00 0.00 0.97 0.00 0.00 24 N 8.72 4.17 0.00 2.83 2.80 0.00 0.00 6.89 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 25 A 8.06 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.60 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 1.25 0.00 0.00 1.04 0.00 0.00 27 R 7.78 2.57 0.00 1.75 1.52 0.00 2.96 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 28 S 8.21 4.01 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 29 A 8.16 3.87 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 30 F 8.53 3.72 0.00 3.14 2.39 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 31 S 8.34 4.44 0.00 3.93 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 32 T 7.76 4.11 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 1.21 0.00 0.00 33 V 7.55 3.54 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 -0.38 0.00 0.00 0.65 0.00 0.00 34 F 8.21 5.29 0.00 3.79 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.75 0.00 2.26 2.26 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 36 D 8.21 4.78 0.00 2.76 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 37 Q 7.79 4.36 0.00 1.47 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 38 E 7.85 4.35 0.00 1.72 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 39 W 8.46 5.05 0.00 3.00 2.12 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 40 E 9.11 4.60 0.00 1.93 1.68 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 2.14 2.24 0.00 41 F 8.85 5.06 0.00 2.98 2.94 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 42 I 8.79 4.45 1.81 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 1.14 0.74 0.87 0.00 0.00 43 G 8.75 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 44 V 8.87 4.76 2.17 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 0.71 0.00 0.00 1.09 0.00 0.00 45 S 8.69 4.82 0.00 3.76 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 46 V 8.27 4.57 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 0.81 0.00 0.00 1.05 0.00 0.00 47 P 0.00 4.52 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.95 0.00 48 S 8.54 4.34 0.00 4.01 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 49 E 8.42 3.77 0.00 2.14 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 0.00 2.21 2.25 0.00 50 V 7.28 4.52 2.27 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 0.73 0.00 0.00 1.00 0.00 0.00 51 A 8.44 4.17 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 52 D 8.83 4.46 0.00 2.69 2.78 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 0.00 0.00 0.00 53 Q 7.60 4.41 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 54 P 0.00 4.83 0.00 2.28 2.06 0.00 4.09 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 *56 S 8.19 4.66 0.00 4.27 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 57 D 9.80 4.69 0.00 2.76 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 58 E 8.23 3.86 0.00 2.08 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 0.00 2.36 2.32 0.00 59 E 8.24 3.94 0.00 2.13 1.99 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 2.34 2.37 0.00 60 T 8.12 4.00 4.92 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 1.62 0.00 0.00 61 K 8.12 3.60 0.00 0.79 1.20 0.00 0.61 0.00 0.00 0.93 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.21 7.81 62 Q 8.26 3.94 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 63 G 8.33 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 64 A 7.96 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.92 0.00 1.78 1.69 0.77 0.92 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 66 N 8.44 4.31 0.00 2.93 2.86 0.00 0.00 7.08 7.75 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 67 R 8.12 3.96 0.00 1.90 2.02 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 68 V 7.84 3.64 2.25 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 1.22 0.00 0.00 1.09 0.00 0.00 69 R 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0.00 0.00 0.00 0.00 2.38 2.34 0.00 86 A 8.86 4.74 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 87 G 8.65 4.68 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 0.00 0.00 0.00 88 I 8.08 4.70 1.82 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 1.00 0.58 0.95 0.00 0.00 89 E 9.20 4.66 0.00 2.32 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 2.31 2.38 0.00 90 E 8.60 3.64 0.00 2.19 1.12 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 2.26 2.33 0.00 91 N 9.05 4.95 0.00 2.85 2.92 0.00 0.00 5.67 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 92 K 8.27 5.07 0.00 1.99 1.89 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.58 7.81 93 T 8.33 4.71 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 1.18 0.00 0.00 94 F 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 8.63 4.79 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 113 L 8.51 4.66 0.00 1.79 1.48 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *115 L 8.41 4.55 0.00 1.70 1.67 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.46 0.00 2.16 2.00 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 117 P 0.00 4.30 0.00 2.15 2.10 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 118 L 7.84 3.94 0.00 1.69 1.57 0.88 0.79 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 0.00 119 V 7.69 3.53 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 1.08 0.00 0.00 0.95 0.00 0.00 120 L 7.77 3.93 0.00 1.82 1.82 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.67 4.13 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 0.00 140 E 8.10 3.98 0.00 1.98 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 2.40 2.34 0.00 141 N 8.19 4.28 0.00 3.11 2.92 0.00 0.00 7.11 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.01 3.64 2.02 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 1.81 1.01 0.89 0.00 0.00 143 K 8.16 3.95 0.00 2.02 1.85 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.54 7.81 144 Q 8.49 4.09 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 145 K 7.87 4.47 0.00 1.79 1.82 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.55 7.81 146 G 7.60 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 0.00 147 G 8.45 3.89 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 0.00 0.00 0.00 148 A 8.73 3.64 1.12 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 0.00 0.00 149 I 7.58 3.62 1.76 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 1.51 0.44 0.87 0.00 0.00 150 G 7.97 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 0.00 151 L 8.05 3.79 0.00 1.63 1.60 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.94 4.02 0.00 1.54 1.63 0.76 0.70 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 0.00 153 T 7.67 4.41 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 1.17 0.00 0.00 154 R 8.39 3.66 0.00 1.81 1.92 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 155 H 8.35 4.15 0.00 3.22 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 7.99 4.38 0.00 3.25 3.33 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.10 4.94 0.00 1.63 1.48 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.12 4.81 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 1.18 0.00 0.00 159 R 8.43 3.63 0.00 1.61 1.64 0.00 2.85 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 160 S 7.84 4.03 0.00 4.03 4.01 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 0.00 161 T 7.75 3.93 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 1.16 0.00 0.00 162 V 7.81 3.70 2.22 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 1.12 0.00 0.00 0.96 0.00 0.00 163 Y 8.61 4.31 0.00 3.06 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 0.00 164 H 8.53 4.12 0.00 3.38 3.49 0.00 5.78 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 0.00 165 Q 7.81 3.94 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 166 A 7.75 3.93 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 0.00 167 L 7.87 3.89 0.00 1.71 1.67 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.50 3.64 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.77 0.00 0.00 169 L 8.02 3.93 0.00 1.76 1.67 0.87 0.84 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 0.00 170 A 8.14 4.14 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 0.00 0.00 171 L 7.62 4.61 0.00 1.77 1.62 0.21 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.32 3.56 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.62 0.00 0.00 173 P 0.00 3.54 0.00 1.05 1.60 0.00 3.46 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 174 F 7.52 4.72 0.00 3.41 3.40 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 0.00 175 I 8.13 4.15 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.89 0.00 0.00 176 N 8.22 5.55 0.00 3.02 2.99 0.00 0.00 6.72 8.89 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 0.00 177 P 0.00 4.56 0.00 2.25 2.20 0.00 3.70 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 178 E 8.31 3.97 0.00 1.89 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 2.38 2.40 0.00 179 H 8.11 4.53 0.00 3.14 2.91 0.00 5.60 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 0.00 180 Y 7.29 4.63 0.00 2.80 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 0.00 181 P 0.00 4.46 0.00 2.18 2.06 0.00 3.70 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 1.98 1.94 0.00 182 S 8.47 4.44 0.00 3.63 3.64 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.