NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2925 8.2649 123.5763 51.9591 19.9523 176.5203 6 H 4.2836 8.5271 118.1038 54.1648 29.4981 173.3002 7 P 4.3843 0.0000 0.0000 63.1926 32.5280 176.1133 8 I 4.3216 8.0899 113.7090 60.8812 38.3754 174.9225 9 S 4.7020 7.4084 113.6292 57.9857 64.7153 174.8042 10 R 4.1940 9.0021 120.3568 57.1680 29.8939 176.3630 11 Y 4.4519 8.0560 116.7763 55.6214 39.4019 173.6251 12 P 4.3033 0.0000 0.0000 63.0273 31.9537 176.1673 13 V 4.3848 8.1382 120.9773 60.2413 33.3466 173.6738 14 P 4.5670 0.0000 0.0000 62.0920 32.4976 175.8361 15 E 4.1327 8.5137 119.6933 56.0067 29.9924 178.0574 16 L 3.9387 8.6579 125.0094 57.9608 42.2065 178.1598 17 A 4.0327 8.1650 121.1603 55.2707 18.3967 178.5690 18 A 4.3946 7.7188 114.5620 52.5952 18.2852 177.0120 19 L 4.4929 7.1656 116.6932 53.0894 43.2583 175.5656 20 P 4.3337 0.0000 0.0000 63.8250 33.2696 178.1388 21 D 4.4449 8.6963 122.6054 58.3103 39.5910 178.7901 22 D 4.5722 8.0034 118.5634 56.7802 39.4559 178.7266 23 I 3.6321 7.5456 120.7103 64.2429 37.2340 178.2795 24 R 3.8326 7.9099 118.8361 59.5289 29.8576 178.9305 25 Q 3.9741 8.1378 119.1947 58.7809 29.1013 178.2436 26 R 3.8600 7.7305 120.0290 59.3072 30.2785 178.5685 27 I 3.2936 7.9820 122.1201 64.8091 36.6033 178.8581 28 L 3.9192 8.2531 123.4746 59.6331 40.1893 180.7848 29 E 4.1293 8.0380 120.6332 58.9819 29.4690 179.3472 30 V 3.4989 7.4629 118.9912 64.6654 31.4266 177.9821 31 Q 4.0201 7.6990 121.3660 58.3002 28.5550 178.0144 32 D 4.3436 7.6117 119.4645 57.9583 41.3459 178.7811 33 K 4.1314 7.5236 122.1740 58.7510 32.1166 179.7417 34 A 4.7891 8.3088 119.0603 50.9043 20.0994 177.9157 35 G 4.0881 10.1692 105.8427 45.3096 0.0000 172.8679 36 F 4.6871 7.2261 112.0946 56.0287 40.9240 173.0499 37 V 4.1497 8.2411 120.3558 60.1319 31.7067 173.1720 38 P 5.0091 0.0000 0.0000 63.5924 31.8741 177.4133 39 N 4.7985 10.3207 120.3301 55.5260 38.3564 178.1664 40 V 3.3539 7.8924 122.4035 64.2202 31.3545 177.7702 41 F 4.4990 7.9598 120.0595 61.2212 38.6519 178.4162 42 L 4.2070 8.2017 120.2375 59.7172 40.6616 181.0723 43 T 4.3065 8.2924 110.9141 64.7829 68.8664 176.7702 44 L 4.1399 8.2757 121.1832 56.5074 41.4571 178.8152 45 A 4.1062 7.8949 119.9589 54.3810 18.2691 178.2473 46 H 4.3973 7.7793 116.5933 57.9189 30.8482 175.0195 47 R 4.4918 7.9564 120.0710 52.4841 30.5578 173.7275 48 P 4.2608 0.0000 0.0000 65.8967 31.6430 177.5469 49 D 4.4323 8.1381 116.8208 57.4002 40.7596 178.4652 50 E 4.1587 8.1932 118.6299 58.7878 29.6914 178.5472 51 F 4.0967 8.6129 121.1932 61.5292 39.4890 177.3691 52 R 4.2406 8.6646 117.3263 59.4982 29.9616 179.0088 53 A 4.0711 8.0430 120.0155 54.9622 18.2949 179.3023 54 F 3.9196 8.7043 119.5789 61.7535 39.4113 177.5568 55 F 4.3982 8.3410 116.7913 59.9414 38.6270 177.7939 56 A 4.0043 8.2220 120.9563 55.2453 18.3603 178.9882 57 Y 3.6747 7.7548 117.9671 60.9379 38.6093 177.2682 58 H 3.1934 7.4752 118.0427 59.5199 28.6461 176.3341 59 D 4.5491 8.4936 120.2892 57.4546 40.3883 178.8539 60 A 4.3071 7.6614 120.4909 54.5594 18.3540 178.5728 61 L 4.3408 7.2169 114.8185 55.2551 41.9519 177.7290 *63 L 4.3753 7.8163 120.4643 54.1977 43.6080 177.6438 64 K 4.0065 7.1732 116.7445 56.8373 32.8082 176.2850 65 D 4.4794 8.5338 120.9822 54.4486 41.3430 176.0545 66 G 4.0812 8.1232 111.2324 45.0673 0.0000 172.6935 67 G 4.1280 8.5510 106.0584 45.5712 0.0000 173.6230 68 L 4.9114 7.5519 120.0103 53.0760 43.8625 177.0214 69 T 4.2102 8.7963 113.6761 61.1801 71.1085 176.0780 70 K 3.8028 8.3509 120.9439 59.2577 31.6149 179.9400 71 G 3.6471 7.4943 106.1607 47.3682 0.0000 175.1367 72 E 4.1180 7.9326 120.1001 59.0964 29.6116 179.4731 73 R 4.0756 7.8629 118.0491 58.9425 30.4109 179.3677 74 E 4.3772 7.8276 118.9242 56.2604 29.4615 179.2695 *76 I 3.9393 7.7364 120.8610 61.4388 39.6447 178.6767 77 V 3.2101 7.3348 119.0744 65.6590 31.1449 178.2875 78 V 3.3989 7.6620 117.6493 65.9947 31.4370 177.8891 79 A 3.9845 7.7831 120.2572 55.3069 18.3038 179.5555 80 T 3.8179 7.9166 108.3408 65.0354 69.0229 177.2896 81 S 4.9645 8.7420 119.4076 60.4441 62.7377 176.5767 82 A 3.9431 8.0502 123.7326 55.1159 17.9327 179.5187 83 A 4.0183 7.5712 117.6730 54.7791 18.4735 178.5760 84 N 4.5885 7.7031 111.8500 52.0519 39.7332 175.0412 85 Q 3.1851 7.6591 118.9052 56.9308 27.1551 174.5670 86 C 5.0493 7.9655 117.5053 57.0961 32.5452 173.5954 87 L 3.9285 8.6227 129.5294 58.3430 41.7778 177.8778 88 Y 3.8382 7.9851 118.8561 61.1535 38.8825 177.8493 89 C 4.3765 8.2234 117.0753 62.5319 28.3112 176.1831 90 V 3.4449 7.7842 120.0313 65.8729 31.2692 178.3387 91 V 3.1962 7.2964 117.1573 65.7244 31.1577 177.5609 92 A 2.5800 7.3623 120.7102 55.1342 18.0096 179.1855 93 H 4.3500 7.8946 113.3778 57.5272 28.8637 178.2548 94 G 3.5035 7.8523 108.2265 47.5445 0.0000 175.4362 95 A 4.0293 7.7261 123.2118 55.1851 18.4663 179.8389 96 I 3.7248 7.5107 118.0282 64.3820 37.1455 178.4220 97 L 4.1312 8.3833 121.5960 58.3417 41.8547 179.3187 98 R 3.9847 8.1175 118.0155 59.1448 29.7431 179.0768 99 I 3.6576 7.5479 118.6620 64.5810 37.2169 177.7720 100 Y 4.3152 7.5753 115.8179 61.4319 37.9146 178.5877 101 E 4.1139 8.6870 118.9201 56.7629 30.1274 176.9908 102 K 3.8471 8.2181 117.5713 56.9020 29.8249 177.3010 103 K 4.4246 7.4282 117.8031 54.4094 34.3042 175.8382 104 P 4.3609 0.0000 0.0000 64.2981 31.9902 178.0679 105 L 4.3803 7.8584 119.2833 56.5798 42.2872 178.4340 106 V 3.7979 7.2850 119.4000 65.3613 30.9567 178.4233 107 A 4.0342 7.9367 120.4489 54.8196 18.2414 179.2308 108 D 4.3121 8.0107 117.1444 57.4193 40.9068 178.8047 109 Q 3.9885 8.0555 118.0908 59.1985 28.6065 179.0907 110 V 3.7451 7.7210 117.3406 66.0204 31.6110 177.5905 111 A 4.1398 7.9589 119.7145 54.5764 18.3051 179.3618 112 V 4.0725 7.8697 116.2023 64.3663 32.5546 175.9879 113 N 4.4452 8.4979 117.2942 52.8366 40.4175 173.9867 114 Y 4.2337 8.3873 125.1281 59.4515 38.3431 178.9677 115 L 3.8338 6.9055 119.9007 56.6803 41.6781 177.8582 116 K 4.4692 7.7538 116.7859 55.8727 32.4692 176.1706 117 A 4.5033 7.5598 121.3899 51.7329 19.7882 179.0109 118 D 4.7784 8.7615 121.5609 53.1063 39.2952 176.4690 119 I 4.7107 7.0696 112.2877 57.2763 41.4667 174.8312 120 P 4.5556 0.0000 0.0000 62.0213 33.4332 175.6039 121 P 4.2863 0.0000 0.0000 65.6098 30.9000 178.7030 122 R 3.8666 8.0380 116.4118 59.8695 29.9772 178.1033 123 Q 4.2809 8.0265 115.8263 58.5511 29.0671 178.0060 124 R 4.2106 7.8993 119.3484 59.2268 30.1515 179.4008 125 A 4.6214 8.2541 120.0943 52.1522 18.4688 179.0355 *127 L 4.0283 7.9699 122.6230 56.2993 43.5951 179.3350 128 D 4.4709 8.3215 120.5062 56.6330 40.6682 178.4544 129 F 4.1209 8.2473 120.8593 61.2537 39.3843 176.6726 130 A 3.6844 8.0014 119.9121 55.4946 18.1098 179.5478 131 L 3.8047 7.9030 116.9078 57.4097 41.5822 179.6539 132 K 3.8965 7.7565 120.0463 59.1106 31.8860 179.1110 133 V 3.3326 7.0759 117.3718 65.7084 31.5390 177.0248 134 C 4.0827 7.8452 117.6110 62.2306 31.5486 174.9924 135 K 4.4569 7.7421 116.3240 56.1513 34.1202 176.3642 136 A 4.8069 8.3459 123.3099 50.9869 19.3678 177.9350 137 S 4.0704 8.1288 118.4487 61.9606 63.5776 176.2880 138 H 4.2171 8.2953 115.0665 57.4407 28.2327 175.4473 139 E 4.3486 7.6034 118.4033 55.7697 29.8639 176.2251 140 V 3.8632 7.6753 120.9450 63.0105 31.5738 174.6546 141 N 5.2778 9.4121 123.8767 50.3603 40.7038 174.8504 142 E 4.3443 8.8667 116.0772 59.4349 29.2121 179.2189 143 A 4.0327 8.2054 120.7211 55.2027 18.3198 179.2643 144 D 4.2297 8.2615 116.9222 57.5228 40.9195 179.0234 145 F 3.8458 7.7026 117.0308 60.3843 39.0267 177.4195 146 E 3.9897 9.0053 118.4145 59.4925 29.0863 179.1674 147 A 4.0474 7.9636 119.4249 55.4187 18.7399 179.3881 148 L 4.2574 7.6670 117.0258 58.1019 41.7987 179.9925 149 R 4.6231 8.0909 119.2577 58.7602 29.7107 178.9219 150 E 4.0675 8.0616 117.3406 58.8519 29.4099 177.3559 151 H 4.5300 7.8566 114.2424 55.4715 28.8396 176.0780 152 G 3.8574 7.7782 108.8816 45.0509 0.0000 174.6282 153 F 4.6103 7.6596 118.5332 57.6317 39.8301 174.5302 154 T 4.9643 8.6626 113.9491 60.2200 72.3288 175.4348 155 D 4.6052 8.4805 119.8452 57.0858 40.7629 178.8101 156 E 4.1171 8.2057 119.2910 59.1968 29.5641 178.6698 157 D 4.4017 8.1586 118.7298 57.3541 40.9572 178.3587 158 A 3.9601 8.0838 121.2644 55.0706 18.3068 179.3326 159 W 4.1734 8.5658 126.5353 60.9935 30.8428 177.7027 160 D 4.6071 8.4733 118.6923 57.7510 40.2716 179.1424 161 I 3.7269 8.1740 120.0060 64.3567 37.0446 178.4143 162 A 3.8686 8.4112 121.4697 54.6152 18.1297 179.6012 163 A 3.8913 8.6029 119.7803 55.4143 18.4713 179.7854 164 I 3.7853 7.8563 118.2367 64.9739 37.2031 178.6925 165 T 3.8037 7.8436 116.1465 66.6578 68.1456 176.5441 166 A 3.8634 8.2124 122.8576 55.0222 18.3978 179.4857 167 F 3.6526 8.3774 119.5924 61.3333 39.4068 177.3428 168 F 3.9344 8.4945 117.1865 59.3711 38.6074 177.9887 169 G 3.4463 7.5960 105.8413 47.5404 0.0000 175.3031 170 L 3.7766 6.9855 121.8627 57.7558 42.0708 178.6635 171 S 4.1582 6.9070 111.2365 61.6368 62.5988 175.4695 172 N 4.5174 8.5609 119.3225 56.2466 38.3337 176.5035 173 R 3.9543 7.9004 118.2453 56.5758 30.6836 178.5589 *175 A 4.1874 7.9491 122.9630 52.4075 20.7983 179.8015 176 N 4.4079 8.0943 113.1806 56.7840 38.8600 177.9364 177 T 3.9395 7.8432 114.1504 66.2190 68.7544 175.4296 178 I 4.1355 7.8410 112.5990 60.1763 38.4017 176.0965 179 G 4.0678 7.4256 110.0815 44.9633 0.0000 173.0596 *181 R 4.2133 8.1781 118.1557 55.1266 30.8454 173.4358 182 P 4.5243 0.0000 0.0000 62.3766 32.4629 175.8981 183 N 4.6884 9.0610 118.0871 53.2113 39.6114 175.8398 184 D 4.5059 8.9104 122.0257 57.7320 41.1400 178.8493 185 E 3.8292 7.7953 117.8936 59.3631 29.5792 179.2952 186 F 4.5781 7.7794 116.7007 60.5303 39.2009 176.5572 187 F 4.0216 8.4731 118.6211 59.8369 38.9734 175.0504 188 L 4.3274 7.6088 125.0443 53.4655 41.0695 176.5504 *190 G 3.8985 8.3400 113.3319 45.0252 0.0000 171.6400 191 R 4.4122 7.8310 117.8112 55.7643 30.5803 176.9577 192 V 3.9883 7.4102 123.1958 62.3763 30.7166 172.5464 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 5 A 8.26 4.29 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 6 H 8.53 4.28 0.00 3.28 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.38 0.00 2.07 2.02 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 8 I 8.09 4.32 2.00 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 1.38 0.67 1.02 0.00 0.00 9 S 7.41 4.70 0.00 3.85 3.78 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 10 R 9.00 4.19 0.00 1.78 1.99 0.00 3.04 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.09 0.00 11 Y 8.06 4.45 0.00 2.83 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 12 P 0.00 4.30 0.00 2.10 2.05 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 13 V 8.14 4.38 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 0.93 0.00 0.00 1.06 0.00 0.00 14 P 0.00 4.57 0.00 2.22 2.06 0.00 4.07 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 15 E 8.51 4.13 0.00 2.03 1.92 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 2.41 2.25 0.00 16 L 8.66 3.94 0.00 1.58 1.71 0.89 1.03 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 17 A 8.16 4.03 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 18 A 7.72 4.39 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 19 L 7.17 4.49 0.00 1.70 1.47 0.81 0.89 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 20 P 0.00 4.33 0.00 2.21 1.98 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 21 D 8.70 4.44 0.00 2.68 2.68 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 22 D 8.00 4.57 0.00 2.90 2.97 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 23 I 7.55 3.63 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.43 0.12 0.00 0.00 24 R 7.91 3.83 0.00 1.82 1.95 0.00 3.09 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 25 Q 8.14 3.97 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 26 R 7.73 3.86 0.00 2.01 2.23 0.00 3.17 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 27 I 7.98 3.29 1.93 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 1.35 1.07 0.81 0.00 0.00 28 L 8.25 3.92 0.00 1.60 1.69 0.92 1.00 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 29 E 8.04 4.13 0.00 2.15 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 0.00 2.27 2.29 0.00 30 V 7.46 3.50 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.80 0.00 0.00 31 Q 7.70 4.02 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 32 D 7.61 4.34 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 33 K 7.52 4.13 0.00 1.92 1.71 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.33 7.81 34 A 8.31 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 10.17 4.09 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 0.00 0.00 0.00 36 F 7.23 4.69 0.00 3.21 3.06 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 37 V 8.24 4.15 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 0.85 0.00 0.00 0.84 0.00 0.00 38 P 0.00 5.01 0.00 2.85 2.73 0.00 3.57 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.19 0.00 39 N 10.32 4.80 0.00 3.23 3.08 0.00 0.00 6.56 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 40 V 7.89 3.35 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 0.95 0.00 0.00 0.32 0.00 0.00 41 F 7.96 4.50 0.00 3.39 3.32 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 42 L 8.20 4.21 0.00 1.74 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.29 4.31 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 1.34 0.00 0.00 44 L 8.28 4.14 0.00 1.84 1.71 -0.46 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.89 4.11 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 46 H 7.78 4.40 0.00 3.29 3.44 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.96 4.49 0.00 1.84 1.88 0.00 3.31 0.00 0.00 3.03 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0.00 2.94 2.65 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 66 G 8.12 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 0.00 0.00 0.00 67 G 8.55 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.55 4.91 0.00 1.65 1.60 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.80 4.21 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 1.27 0.00 0.00 70 K 8.35 3.80 0.00 0.79 0.74 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.32 7.81 71 G 7.49 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 72 E 7.93 4.12 0.00 2.21 2.05 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 2.40 2.38 0.00 73 R 7.86 4.08 0.00 1.98 1.95 0.00 3.04 0.00 0.00 3.15 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3.20 1.66 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 -0.10 0.00 0.00 0.60 0.00 0.00 92 A 7.36 2.58 0.22 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 93 H 7.89 4.35 0.00 3.21 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.85 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.03 1.65 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 96 I 7.51 3.72 2.11 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 1.55 0.80 1.18 0.00 0.00 97 L 8.38 4.13 0.00 1.83 1.96 1.01 1.04 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 98 R 8.12 3.98 0.00 2.13 2.15 0.00 3.35 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 99 I 7.55 3.66 1.75 0.00 0.00 0.87 0.00 0.00 0.00 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1.97 2.14 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 125 A 8.25 4.62 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 *127 L 7.97 4.03 0.00 1.48 0.92 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.32 4.47 0.00 2.88 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 0.00 129 F 8.25 4.12 0.00 2.95 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 0.00 130 A 8.00 3.68 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 0.00 131 L 7.90 3.80 0.00 1.83 1.71 0.91 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.76 3.90 0.00 1.76 1.68 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.36 7.81 133 V 7.08 3.33 1.80 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 0.65 0.00 0.00 0.05 0.00 0.00 134 C 7.85 4.08 0.00 3.00 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 0.00 135 K 7.74 4.46 0.00 1.84 1.79 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.53 7.81 136 A 8.35 4.81 1.16 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 0.00 0.00 137 S 8.13 4.07 0.00 3.92 4.20 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 0.00 138 H 8.30 4.22 0.00 3.28 3.44 0.00 5.50 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 0.00 139 E 7.60 4.35 0.00 1.97 1.92 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 2.04 1.65 0.00 140 V 7.68 3.86 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 0.84 0.00 0.00 0.81 0.00 0.00 141 N 9.41 5.28 0.00 2.97 2.93 0.00 0.00 6.59 7.60 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 0.00 142 E 8.87 4.34 0.00 2.07 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 2.45 2.34 0.00 143 A 8.21 4.03 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 0.00 144 D 8.26 4.23 0.00 2.68 2.68 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 0.00 145 F 7.70 3.85 0.00 3.19 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 0.00 146 E 9.01 3.99 0.00 2.27 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 2.33 2.21 0.00 147 A 7.96 4.05 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 0.00 148 L 7.67 4.26 0.00 1.74 1.80 -0.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.09 4.62 0.00 2.04 2.02 0.00 3.17 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 150 E 8.06 4.07 0.00 2.11 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 2.33 2.54 0.00 151 H 7.86 4.53 0.00 3.23 3.22 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 7.78 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 0.00 0.00 0.00 153 F 7.66 4.61 0.00 3.26 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 0.00 154 T 8.66 4.96 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 1.25 0.00 0.00 155 D 8.48 4.61 0.00 2.74 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 0.00 156 E 8.21 4.12 0.00 2.00 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 2.30 0.00 157 D 8.16 4.40 0.00 3.08 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 0.00 158 A 8.08 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 W 8.57 4.17 0.00 3.64 3.29 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 0.00 160 D 8.47 4.61 0.00 3.09 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 0.00 161 I 8.17 3.73 2.16 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 1.31 0.70 0.92 0.00 0.00 162 A 8.41 3.87 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 0.00 163 A 8.60 3.89 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 0.00 164 I 7.86 3.79 1.91 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 1.62 0.88 1.04 0.00 0.00 165 T 7.84 3.80 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 1.11 0.00 0.00 166 A 8.21 3.86 1.26 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 0.00 0.00 167 F 8.38 3.65 0.00 2.44 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 0.00 168 F 8.49 3.93 0.00 3.07 2.92 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 0.00 169 G 7.60 3.45 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 0.00 170 L 6.99 3.78 0.00 1.35 1.47 0.83 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 0.00 171 S 6.91 4.16 0.00 3.05 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 0.00 172 N 8.56 4.52 0.00 2.87 2.85 0.00 0.00 7.14 8.18 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 0.00 173 R 7.90 3.95 0.00 1.80 1.88 0.00 3.09 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 *175 A 7.95 4.19 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 0.00 176 N 8.09 4.41 0.00 2.88 2.88 0.00 0.00 7.10 7.16 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 0.00 177 T 7.84 3.94 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 1.28 0.00 0.00 178 I 7.84 4.14 2.03 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 1.34 1.08 0.93 0.00 0.00 179 G 7.43 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 *181 R 8.18 4.21 0.00 1.92 2.05 0.00 3.42 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 182 P 0.00 4.52 0.00 2.11 1.61 0.00 4.00 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.95 0.00 183 N 9.06 4.69 0.00 2.74 2.66 0.00 0.00 7.02 8.08 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 0.00 184 D 8.91 4.51 0.00 2.67 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 0.00 185 E 7.80 3.83 0.00 1.16 1.61 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 1.88 2.08 0.00 186 F 7.78 4.58 0.00 3.09 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 0.00 187 F 8.47 4.02 0.00 3.17 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 0.00 188 L 7.61 4.33 0.00 1.84 1.60 0.92 1.00 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 *190 G 8.34 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 0.00 191 R 7.83 4.41 0.00 1.98 1.99 0.00 3.25 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 192 V 7.41 3.99 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 0.60 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.