NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7420 8.2133 109.7355 45.4132 0.0000 173.4376 *23 N 4.7280 8.1918 118.4675 52.6899 39.8011 173.6031 24 I 3.8127 8.2111 119.6702 61.7466 37.5256 175.1137 25 E 4.4563 8.6514 125.9283 55.6123 31.8543 175.7972 26 S 3.8857 8.6390 120.9841 58.1552 60.3818 173.2029 27 I 3.6340 7.4332 120.4046 63.8943 37.6993 176.2677 28 E 4.7946 8.1321 119.3582 58.8846 28.9890 178.3601 29 N 4.4919 8.3513 116.1440 54.7691 38.6316 175.9696 30 L 4.6232 7.9079 119.5270 54.3740 42.4711 176.4696 31 Q 4.5211 7.8533 118.1273 55.3675 29.8343 177.0028 32 G 4.0028 8.0759 106.1871 44.9339 0.0000 173.3259 33 I 3.6666 8.0573 120.7845 60.7903 37.7938 175.3867 34 R 3.8650 8.7241 124.6780 58.1493 30.1703 175.8923 35 A 3.8823 8.7067 126.7688 52.8247 16.3415 175.8931 36 L 4.4353 7.3848 120.7523 56.7525 42.9848 176.2667 37 Q 4.4262 9.4426 127.5213 54.3968 32.3230 173.5407 38 Q 4.3790 8.9242 128.6484 56.5238 29.2227 175.6391 39 Q 4.5084 9.0105 124.2855 56.3483 30.9831 175.0311 40 A 4.4696 7.4652 118.4740 50.6901 21.7620 174.9987 41 P 4.3121 0.0000 0.0000 65.2943 31.5072 177.8717 42 Q 4.7798 8.0823 113.8828 54.2735 29.5985 173.9193 43 L 5.1395 8.0653 121.0581 53.4909 45.0541 175.1453 44 L 5.1824 9.1909 127.1570 53.1041 44.4791 175.7953 45 S 5.8817 8.9411 116.6286 56.2384 66.6777 172.9092 46 S 5.0630 7.6601 114.3684 58.8674 66.0421 173.7153 47 G 4.4242 8.4406 108.1029 45.0819 0.0000 172.6039 48 L 4.3719 8.3713 124.5541 53.8663 42.4246 176.6715 49 P 4.3320 0.0000 0.0000 62.1267 31.9102 176.0157 50 N 4.7970 8.4419 119.7049 51.2421 39.3781 174.8258 51 E 4.2696 8.8397 117.9920 59.6777 29.9991 178.6369 52 Q 4.0172 8.1777 118.7313 59.3263 29.0393 178.0658 53 Q 3.9778 8.4582 119.0355 58.6558 28.6866 178.6499 54 F 4.3819 7.7788 118.9246 60.5093 38.8853 177.8367 55 S 4.2094 8.1336 114.5353 61.5237 62.6959 176.4959 56 L 4.0217 7.8181 121.4734 57.6957 41.3638 179.4639 57 L 4.0024 8.3951 119.4031 57.6624 41.5485 179.4632 58 K 4.1368 8.0508 119.2926 59.8451 31.9582 178.9325 59 Q 4.0290 8.0050 116.7137 58.5860 28.6949 177.7953 60 A 4.3037 7.8572 119.4512 52.6173 18.6550 178.0466 61 G 3.9371 7.9974 106.1671 44.6982 0.0000 174.3199 62 V 3.7372 7.6332 120.1934 63.1610 31.9032 175.2938 63 D 4.8101 9.0129 127.0560 55.4317 42.4127 177.2597 64 V 4.6570 7.6212 117.5117 61.1217 35.3668 173.9386 65 V 4.8659 8.9902 127.7949 61.3025 33.9973 174.0544 66 I 4.7932 9.1937 129.4982 59.7580 39.4151 174.0350 67 N 4.9009 9.1447 127.4619 51.8574 40.7620 174.3790 68 L 5.5136 8.3138 129.0871 51.9957 40.5760 173.5400 *70 P 4.6351 0.0000 0.0000 61.9563 32.9938 177.8519 71 D 4.5029 9.4567 122.7851 57.3695 40.8538 178.2900 72 S 4.3269 8.0867 112.0245 60.0667 63.6489 174.8286 73 S 4.3089 7.9532 119.0092 58.1831 63.0521 175.5671 74 K 4.0396 8.5793 122.9155 59.6781 32.4695 177.5667 75 D 4.5000 7.9176 116.8261 54.6382 41.3849 176.5419 76 A 4.1732 7.4627 122.7009 51.8767 18.9626 177.2785 77 H 4.4365 8.4387 117.8321 55.1903 29.4523 174.3875 78 P 4.3930 0.0000 0.0000 65.7528 31.1518 176.9641 79 D 4.6074 7.4552 116.5509 51.7828 42.2813 174.5157 80 E 3.8230 8.3473 124.5343 58.6182 29.9384 177.9435 81 G 2.3878 7.2685 105.1497 46.9013 0.0000 175.3949 82 K 3.7583 7.5955 121.8847 59.3418 32.2376 178.8551 83 L 3.7879 7.1207 118.2857 57.6594 41.2587 179.8206 84 V 3.1076 7.0359 117.3316 66.0879 31.7975 177.9622 85 T 4.0268 7.8739 109.8016 64.7919 68.4857 176.6939 86 Q 3.9949 8.0807 120.0372 58.2653 28.7782 177.5975 87 A 4.3046 7.5556 119.0587 51.9214 19.9924 176.9482 88 G 3.5438 7.6571 105.1271 45.5966 0.0000 173.1253 *90 D 4.5275 7.4368 118.4002 54.4705 43.3585 175.2421 91 Y 5.2400 8.6488 122.6539 55.8394 41.4369 174.7692 92 V 4.1282 8.4548 126.0689 61.2420 34.6459 173.3460 93 Y 4.8671 8.3920 129.7478 56.2446 40.1829 175.2931 94 I 4.3839 8.4176 128.6501 58.2239 38.7965 171.4232 95 P 4.5848 0.0000 0.0000 62.3933 32.0907 175.9862 96 V 4.3128 8.3598 125.5269 60.6698 33.2378 174.7220 97 D 4.5397 8.7294 128.1393 53.6329 41.3837 176.2413 98 W 4.5919 9.1916 135.0000 60.6176 30.7641 176.3528 99 Q 4.3499 8.4523 114.4259 56.1198 28.9376 176.0263 100 N 4.8243 7.8588 115.4657 51.9584 40.3495 172.4023 101 P 4.2512 0.0000 0.0000 62.5821 32.6458 176.7041 102 K 4.5514 8.5991 119.5413 53.8868 35.5410 177.4976 103 V 3.4536 8.3426 121.2667 66.2041 31.2791 178.2317 104 E 3.8864 8.1363 116.7299 59.4467 29.1386 178.9171 105 D 4.3594 7.9356 119.8278 57.2439 40.8656 178.7448 106 V 2.7911 7.4561 118.1544 65.8273 31.3898 177.7200 107 E 3.7257 8.1442 118.2095 59.2372 29.1706 179.2413 108 A 4.0052 8.1897 120.9597 54.9288 18.1988 179.4121 109 F 4.2738 8.2633 118.3970 61.6327 39.6101 176.9166 110 F 4.5228 8.2764 116.1144 60.8059 38.8059 177.2898 111 A 4.2352 8.2096 119.0892 54.7923 18.5683 180.2158 112 A 4.5468 7.9918 119.1644 52.2996 18.1759 179.0949 *114 D 4.5429 8.1061 122.4917 56.0164 42.7393 176.8956 115 Q 4.2750 7.7996 115.9511 57.1318 29.2186 176.0412 116 H 4.7432 7.6563 115.7812 54.9495 30.1183 173.4124 117 K 4.1278 8.1998 118.3969 57.8875 32.3354 178.0435 118 G 3.9364 8.8005 110.0350 45.6855 0.0000 173.6303 119 K 4.5187 7.6249 118.7086 55.2288 33.2875 175.6223 120 D 4.9452 9.2065 121.5590 53.6890 42.2386 175.9107 121 V 4.7151 8.8626 123.4315 60.9156 35.1822 173.6451 122 L 5.3225 8.9312 129.4635 53.2941 44.5378 175.0366 123 V 5.1448 8.8327 126.4290 60.3382 33.7649 174.5275 124 H 5.5680 9.2642 119.7778 53.6805 32.4382 171.7943 125 C 4.5282 8.6189 117.2249 58.0868 32.8909 175.4610 126 L 4.1331 8.8774 115.7138 56.9347 42.0158 177.9131 127 A 4.6709 7.2446 116.9713 51.3967 19.7861 175.0241 128 N 4.1981 8.2570 114.3921 56.5150 37.3231 176.0280 129 Y 3.5718 7.4277 114.2884 60.0943 37.8482 177.4721 130 R 3.7986 7.8003 117.8568 59.4566 30.2587 178.9744 131 A 3.8684 7.8650 120.0049 55.1761 18.4774 179.7042 132 S 4.2288 8.0877 112.5566 61.4967 63.1044 176.6242 133 A 4.1793 8.4994 124.4884 55.1416 18.1182 179.6745 134 F 4.2533 9.0520 116.5427 60.5087 38.8272 177.7434 135 A 4.3665 8.6770 120.9592 55.4321 18.1562 178.7210 136 Y 4.1087 8.3881 118.0343 61.1999 38.7669 178.5943 137 L 3.9025 8.3393 119.5627 57.8512 41.6958 178.9533 138 Y 3.5807 8.7254 119.6880 60.8488 38.8022 178.2487 139 Q 3.6086 8.4326 119.2504 58.4213 28.7307 178.4752 140 L 3.5935 7.6082 121.6395 57.9796 41.8981 178.8501 141 K 2.7201 7.2219 118.1505 59.1848 32.0060 177.9902 142 Q 3.8871 7.2127 115.2603 55.8723 28.5719 176.7426 143 G 3.7546 7.4110 108.1619 46.3292 0.0000 174.6597 144 Q 4.0049 7.9632 117.4481 55.3623 29.6115 175.3268 145 N 4.1148 8.0084 115.8928 53.7121 37.0720 171.9985 146 P 4.3671 0.0000 0.0000 62.8590 32.7298 176.7251 147 N 4.6041 8.4949 118.8547 52.8156 40.6130 174.8824 *149 A 4.2889 8.3456 120.2800 52.3820 20.4394 178.3144 150 Q 4.1696 8.4658 113.8150 59.5768 28.8569 179.3840 151 T 4.2272 8.0809 111.2486 64.5238 67.9882 175.5043 *153 T 4.4589 8.0424 120.4287 63.2906 70.2692 174.6725 154 P 4.1002 0.0000 0.0000 64.8009 31.5236 177.4952 155 W 4.2297 8.4408 117.6276 57.4047 30.5508 177.8903 156 N 4.3695 7.4944 114.7672 53.9645 38.6450 174.6555 157 D 5.0484 8.8649 112.1954 53.2839 39.7415 177.1715 158 E 4.3945 8.8510 120.7907 58.4868 29.6752 177.8423 159 L 4.4570 8.3894 120.9085 58.4879 41.8982 178.5091 160 A 4.0990 8.1448 118.8642 55.0504 18.4126 178.7458 161 I 4.0490 7.6916 116.0446 61.8683 38.6829 176.1643 162 Y 4.8738 7.8206 118.9325 54.6955 37.9240 174.2004 163 P 4.3351 0.0000 0.0000 65.5366 31.6383 178.7457 164 K 3.8708 8.1006 118.0974 59.0237 31.8942 179.1027 165 W 3.8556 8.1372 118.8983 59.4322 29.1374 178.1718 166 Q 3.9547 8.5471 119.5379 59.1597 28.3791 178.3509 167 A 3.9369 8.2232 121.8771 54.9448 18.4243 179.2923 168 L 3.7405 7.6777 118.7860 58.3349 42.1092 179.2150 169 L 4.0751 8.0779 118.9314 58.0930 41.5987 179.7339 170 T 3.8664 8.0730 115.6918 66.6661 68.2061 176.4526 171 E 3.9046 8.1946 120.2434 59.2076 30.0107 178.6996 172 V 3.7619 7.9691 118.3974 66.0996 31.6553 178.2758 173 S 4.3677 8.4952 114.6616 61.3104 62.3803 176.4416 174 A 4.0648 7.6489 122.7548 54.6890 18.1333 179.3418 175 K 3.8690 7.6366 115.8107 57.4454 32.2052 176.2596 176 Y 4.9930 7.1032 115.3767 56.0021 42.4333 176.4836 177 G 4.2007 8.3203 112.9041 46.2138 0.0000 173.8036 178 H 4.4044 8.7500 121.1512 55.8450 29.4588 173.2739 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 0 G 8.21 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 *23 N 8.19 4.73 0.00 2.74 2.85 0.00 0.00 7.31 7.45 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 24 I 8.21 3.81 1.86 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 1.29 0.73 0.90 0.00 0.00 25 E 8.65 4.46 0.00 2.15 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 2.19 1.86 0.00 26 S 8.64 3.89 0.00 4.03 3.91 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 27 I 7.43 3.63 1.86 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 1.68 1.33 0.90 0.00 0.00 28 E 8.13 4.79 0.00 2.16 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 0.00 2.33 2.18 0.00 29 N 8.35 4.49 0.00 2.78 2.90 0.00 0.00 6.93 8.48 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 30 L 7.91 4.62 0.00 1.65 1.67 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.85 4.52 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.37 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 32 G 8.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.06 3.67 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.81 0.00 0.00 34 R 8.72 3.87 0.00 1.77 1.77 0.00 3.27 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 35 A 8.71 3.88 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 36 L 7.38 4.44 0.00 1.78 1.57 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.44 4.43 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 38 Q 8.92 4.38 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 39 Q 9.01 4.51 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 40 A 7.47 4.47 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 41 P 0.00 4.31 0.00 2.07 2.16 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 42 Q 8.08 4.78 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 43 L 8.07 5.14 0.00 1.81 1.56 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.19 5.18 0.00 1.65 1.58 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.94 5.88 0.00 4.07 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 46 S 7.66 5.06 0.00 4.01 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 47 G 8.44 4.42 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 0.00 48 L 8.37 4.37 0.00 1.76 1.55 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.33 0.00 0.53 1.39 0.00 3.46 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 50 N 8.44 4.80 0.00 2.79 2.82 0.00 0.00 6.86 8.50 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 51 E 8.84 4.27 0.00 2.05 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 2.41 2.36 0.00 52 Q 8.18 4.02 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 53 Q 8.46 3.98 0.00 2.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 54 F 7.78 4.38 0.00 3.20 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 55 S 8.13 4.21 0.00 4.06 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 56 L 7.82 4.02 0.00 1.85 1.70 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.40 4.00 0.00 1.92 1.80 0.88 0.66 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 58 K 8.05 4.14 0.00 2.00 2.03 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.55 7.81 59 Q 8.01 4.03 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 60 A 7.86 4.30 1.37 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 0.00 0.00 0.00 61 G 8.00 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 62 V 7.63 3.74 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 0.93 0.00 0.00 1.00 0.00 0.00 63 D 9.01 4.81 0.00 2.72 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 64 V 7.62 4.66 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 0.83 0.00 0.00 0.89 0.00 0.00 65 V 8.99 4.87 2.32 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 1.38 0.00 0.00 1.15 0.00 0.00 66 I 9.19 4.79 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 1.14 0.00 0.00 67 N 9.14 4.90 0.00 3.21 2.83 0.00 0.00 6.71 6.26 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 68 L 8.31 5.51 0.00 1.43 1.32 0.18 1.14 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 *70 P 0.00 4.64 0.00 2.28 2.10 0.00 3.66 0.00 0.00 4.09 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 71 D 9.46 4.50 0.00 2.68 2.74 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 0.00 0.00 0.00 72 S 8.09 4.33 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 73 S 7.95 4.31 0.00 3.98 3.82 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 74 K 8.58 4.04 0.00 1.85 1.94 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.43 7.81 75 D 7.92 4.50 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.46 4.17 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 77 H 8.44 4.44 0.00 3.18 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.39 0.00 2.02 2.11 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 79 D 7.46 4.61 0.00 2.55 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 80 E 8.35 3.82 0.00 2.12 1.83 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 1.98 2.12 0.00 81 G 7.27 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 0.00 0.00 0.00 82 K 7.60 3.76 0.00 1.81 1.86 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.39 7.81 83 L 7.12 3.79 0.00 1.28 1.51 0.76 0.73 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 84 V 7.04 3.11 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 0.90 0.00 0.00 0.13 0.00 0.00 85 T 7.87 4.03 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 1.21 0.00 0.00 86 Q 8.08 3.99 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 87 A 7.56 4.30 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.66 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 D 7.44 4.53 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.65 5.24 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.45 4.13 2.01 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 0.92 0.00 0.00 0.88 0.00 0.00 93 Y 8.39 4.87 0.00 2.48 2.72 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 0.00 94 I 8.42 4.38 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.97 0.00 0.00 95 P 0.00 4.58 0.00 1.95 1.68 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 96 V 8.36 4.31 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 0.97 0.00 0.00 0.85 0.00 0.00 97 D 8.73 4.54 0.00 2.76 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 98 W 9.19 4.59 0.00 3.40 3.18 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 0.00 99 Q 8.45 4.35 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 100 N 7.86 4.82 0.00 2.59 2.66 0.00 0.00 7.12 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.25 0.00 1.34 0.77 0.00 3.40 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 102 K 8.60 4.55 0.00 1.86 1.62 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.45 7.81 103 V 8.34 3.45 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 1.08 0.00 0.00 0.91 0.00 0.00 104 E 8.14 3.89 0.00 2.20 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 0.00 2.32 2.39 0.00 105 D 7.94 4.36 0.00 3.03 3.03 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 0.00 106 V 7.46 2.79 1.76 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 0.16 0.00 0.00 0.17 0.00 0.00 107 E 8.14 3.73 0.00 2.07 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 2.36 2.44 0.00 108 A 8.19 4.01 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 0.00 109 F 8.26 4.27 0.00 3.24 3.33 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 0.00 110 F 8.28 4.52 0.00 3.16 3.05 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 0.00 111 A 8.21 4.24 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 0.00 112 A 7.99 4.55 1.37 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 0.00 0.00 0.00 *114 D 8.11 4.54 0.00 2.89 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 0.00 115 Q 7.80 4.27 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 116 H 7.66 4.74 0.00 3.15 3.22 0.00 5.82 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 0.00 117 K 8.20 4.13 0.00 1.74 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.59 7.81 118 G 8.80 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 0.00 119 K 7.62 4.52 0.00 1.93 1.88 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.60 7.81 120 D 9.21 4.95 0.00 2.75 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 0.00 121 V 8.86 4.72 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 1.03 0.00 0.00 0.94 0.00 0.00 122 L 8.93 5.32 0.00 1.87 1.60 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.83 5.14 2.37 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 0.86 0.00 0.00 0.82 0.00 0.00 124 H 9.26 5.57 0.00 3.56 3.47 0.00 5.43 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.62 4.53 0.00 2.89 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.88 4.13 0.00 1.66 1.54 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.24 4.67 1.19 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 0.00 0.00 128 N 8.26 4.20 0.00 2.89 2.69 0.00 0.00 7.12 7.56 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 0.00 129 Y 7.43 3.57 0.00 2.33 1.83 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 0.00 130 R 7.80 3.80 0.00 1.73 1.74 0.00 3.18 0.00 0.00 3.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 131 A 7.86 3.87 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 0.00 132 S 8.09 4.23 0.00 4.40 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 0.00 133 A 8.50 4.18 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 0.00 0.00 0.00 0.00 0.00 134 F 9.05 4.25 0.00 2.82 2.33 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 0.00 135 A 8.68 4.37 1.59 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 0.00 136 Y 8.39 4.11 0.00 3.26 3.34 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 0.00 137 L 8.34 3.90 0.00 1.99 2.01 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.73 3.58 0.00 3.45 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 0.00 139 Q 8.43 3.61 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 140 L 7.61 3.59 0.00 1.17 1.46 0.75 0.71 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 0.00 141 K 7.22 2.72 0.00 0.79 0.98 0.00 0.61 0.00 0.00 0.87 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.84 0.66 7.81 142 Q 7.21 3.89 0.00 1.62 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.05 0.00 0.00 0.00 0.00 0.00 1.30 1.17 0.00 143 G 7.41 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.96 4.00 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 145 N 8.01 4.11 0.00 2.75 2.77 0.00 0.00 7.06 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 0.00 146 P 0.00 4.37 0.00 2.42 2.22 0.00 3.69 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 147 N 8.49 4.60 0.00 2.79 2.82 0.00 0.00 6.96 8.46 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 *149 A 8.35 4.29 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 0.00 150 Q 8.47 4.17 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.54 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 151 T 8.08 4.23 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 *153 T 8.04 4.46 4.47 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 1.21 0.00 0.00 154 P 0.00 4.10 0.00 1.69 1.70 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 155 W 8.44 4.23 0.00 3.43 3.48 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 0.00 156 N 7.49 4.37 0.00 2.95 2.03 0.00 0.00 6.81 7.65 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 0.00 157 D 8.86 5.05 0.00 2.82 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 E 8.85 4.39 0.00 2.56 2.43 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 0.00 2.46 2.81 0.00 159 L 8.39 4.46 0.00 1.80 1.76 0.77 0.82 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 0.00 160 A 8.14 4.10 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 0.00 161 I 7.69 4.05 1.68 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 1.51 0.79 0.60 0.00 0.00 162 Y 7.82 4.87 0.00 3.38 3.05 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 0.00 163 P 0.00 4.34 0.00 2.28 2.34 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 164 K 8.10 3.87 0.00 1.67 1.62 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.51 7.81 165 W 8.14 3.86 0.00 3.71 3.36 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 0.00 166 Q 8.55 3.95 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 167 A 8.22 3.94 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 0.00 168 L 7.68 3.74 0.00 1.53 1.61 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.08 4.08 0.00 1.87 1.73 0.68 0.74 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 0.00 170 T 8.07 3.87 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 1.21 0.00 0.00 171 E 8.19 3.90 0.00 1.90 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 2.26 2.26 0.00 172 V 7.97 3.76 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 1.22 0.00 0.00 0.90 0.00 0.00 173 S 8.50 4.37 0.00 4.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 A 7.65 4.06 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 0.00 175 K 7.64 3.87 0.00 0.83 0.99 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.43 7.81 176 Y 7.10 4.99 0.00 2.91 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 0.00 177 G 8.32 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 0.00 0.00 0.00 178 H 8.75 4.40 0.00 3.11 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.91 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.