NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.2644 8.0249 114.2500 60.6383 39.7510 175.9146 6 E 4.5263 7.6440 116.6981 53.7094 33.8131 174.3434 7 D 5.2717 8.7635 121.1308 53.5457 40.5911 177.1680 8 H 4.5183 7.8969 119.3662 59.0381 28.8166 177.4609 9 I 4.0377 7.6339 121.1146 64.1940 37.0930 178.4252 10 S 4.2474 7.9947 115.9079 61.0777 62.4084 176.4340 11 F 4.2029 8.3099 123.5098 61.1325 39.1246 176.5613 12 L 3.9352 8.3743 120.4372 58.8478 41.3989 178.3482 13 E 4.0242 7.9182 117.5696 59.1964 29.4070 178.9894 14 K 3.8200 8.0625 118.8111 59.9288 32.3506 178.3180 15 F 3.8747 8.8329 121.0923 61.4068 39.0736 177.2469 16 I 3.3937 8.2917 119.9812 64.6184 36.8851 177.4829 17 N 4.1314 9.1638 117.6531 56.6601 38.2983 176.6291 18 D 4.3325 8.6941 119.7848 57.7794 41.0433 179.8118 19 V 3.3566 7.3747 118.1201 65.8913 31.4088 177.5800 20 N 4.1879 8.1632 116.4161 56.7311 38.4376 177.0527 21 T 3.8292 8.1395 117.2380 66.9873 68.5886 176.2679 22 L 3.9610 8.0294 121.8019 58.3628 42.0004 179.1931 23 T 3.7983 8.2385 115.8976 66.3707 68.1608 176.2615 24 A 3.9686 7.9499 121.8127 55.4208 18.5136 179.3961 25 K 4.0190 7.8477 115.9666 59.7094 31.9323 179.6261 26 L 4.0540 7.9611 118.1684 57.2095 41.2273 178.5344 27 L 4.5818 8.0474 117.9211 54.5137 42.1778 178.7361 28 K 3.9620 7.6655 122.1483 59.9309 32.1000 178.5709 29 D 4.3759 8.0073 118.5882 57.3142 40.7253 178.2401 30 L 4.0985 8.0519 119.1273 58.1499 42.1965 178.7359 31 Q 4.3106 7.9268 116.9427 59.1242 28.9010 178.0976 32 T 3.9203 7.7522 116.2448 66.9045 68.2855 176.0401 33 E 3.9419 8.4614 120.1048 58.9137 29.8423 177.5147 34 Y 4.4653 8.3951 114.5131 56.5015 38.1514 176.0477 35 G 4.1568 8.1237 108.2527 46.5211 0.0000 173.8562 36 I 4.4644 7.0011 109.4286 58.8327 40.0738 175.3349 37 S 4.6247 7.9987 116.1010 57.0790 66.1950 174.6193 38 A 4.0521 8.2898 122.1590 55.2780 17.9811 179.5444 39 E 3.9852 8.0753 116.6881 59.4757 29.9131 179.0159 40 Q 3.9521 8.4669 118.5766 58.9527 28.7306 179.0888 41 S 4.0095 8.0322 113.9783 62.1270 62.3069 175.1041 42 H 4.1779 8.6463 121.1656 59.1291 29.4856 177.2860 43 V 3.4392 8.2941 119.5875 65.8948 31.4371 178.1686 44 L 3.8932 7.4453 118.4047 58.3600 42.0691 178.2754 45 N 4.5057 8.7390 117.2994 56.5433 38.7110 176.0541 46 M 4.2027 10.1926 117.6504 56.9312 32.4404 176.8551 47 L 4.6740 7.6327 117.6284 55.3696 42.4576 177.6127 48 S 4.1387 7.6244 112.6579 59.9686 62.4211 175.3631 49 I 4.0949 7.0107 121.9949 62.8002 37.6583 175.4572 50 E 4.5926 7.0197 113.0017 54.7498 31.7397 174.3891 51 A 4.7809 8.4553 122.5157 51.8241 18.9544 176.8668 52 L 5.5438 8.4249 121.5985 52.9493 45.7781 175.3381 53 T 4.8428 8.1262 114.8286 61.3954 71.8977 175.6951 54 V 3.6459 8.7707 123.2468 66.4324 31.2485 178.9058 55 G 3.5187 7.9652 104.6210 48.0034 0.0000 175.4118 56 Q 4.0332 8.0639 120.7424 58.7692 28.6817 179.3248 57 I 3.7536 8.1723 120.9943 64.5432 36.9654 178.5060 58 T 3.8593 8.0567 116.7242 66.5430 68.0318 176.1784 59 E 3.9469 7.8848 119.9725 59.3149 29.8833 178.5549 60 K 3.9686 7.8786 118.3962 58.7831 32.2503 177.3287 61 Q 4.5408 7.9677 117.3311 54.0858 31.2563 175.0383 62 G 3.9595 7.7855 106.7677 45.8076 0.0000 172.2230 63 V 4.2379 6.9715 112.9053 61.0249 36.0223 172.0976 64 N 4.4929 8.5285 119.3764 53.3551 39.4164 175.5718 65 K 3.8848 9.2887 127.9205 58.9834 31.6972 178.1143 66 A 3.9567 8.0289 119.9427 55.1188 18.4130 179.2345 67 A 3.9387 7.9556 119.1336 55.4901 18.6412 180.0845 68 V 3.5939 7.8147 116.0238 65.9593 31.4246 178.3516 69 S 4.1058 7.9929 115.4185 61.3949 62.6769 176.7416 70 R 3.8607 7.6499 118.2980 59.6101 29.1600 178.6618 71 R 3.8281 7.5810 118.0859 58.8977 30.3627 178.8914 72 V 3.6919 7.6634 117.0381 66.1459 31.5876 178.4223 73 K 4.0415 8.2860 118.1756 59.1568 31.5651 179.3870 74 K 4.0228 8.8584 118.8304 58.5079 31.8048 178.5956 75 L 4.0266 7.8724 118.9911 56.1356 41.8865 179.0363 76 L 4.1212 7.5850 118.9899 57.8520 41.6704 178.6322 77 N 4.4590 8.2900 115.6030 55.8453 38.9498 175.0532 78 A 4.4775 7.3632 118.4193 50.9539 19.6857 176.2243 79 E 3.8691 8.2190 115.4677 58.1795 27.7995 175.1733 80 L 5.0952 8.2219 118.4928 54.5316 44.7197 178.4600 81 V 5.0309 7.7447 109.5655 59.4891 35.9777 175.1639 82 K 4.6786 9.2131 121.1208 55.9041 36.3259 174.7338 83 L 4.8797 8.6049 119.1115 52.6261 44.4371 179.7205 84 E 4.5491 7.8988 113.5001 57.0489 33.5012 178.9463 *95 K 3.8856 8.3565 113.7987 57.1050 33.2195 172.9923 96 I 3.1573 8.3457 123.9691 61.5612 34.0372 172.5657 97 I 4.4446 8.6554 127.9074 60.5376 37.9923 175.7023 98 K 4.9696 8.5930 126.5747 55.0581 36.0123 174.6324 99 L 5.0323 8.3081 119.5295 53.3078 43.5255 176.9511 100 S 4.5842 9.0521 117.6173 57.4378 64.8408 174.8645 101 N 4.3296 9.0006 118.8205 56.6933 38.0233 177.8026 102 K 4.1514 8.1291 119.3500 59.5695 32.1805 179.3833 103 G 3.7179 8.1482 105.3298 47.5951 0.0000 175.6537 104 K 4.0370 8.2005 120.6543 59.5044 32.2288 179.3751 105 K 3.9162 8.2045 118.7427 59.8934 31.9703 178.5983 106 Y 3.7796 7.7287 119.6168 60.8355 38.7872 177.9077 107 I 3.5603 7.6217 120.6824 64.0736 37.0978 178.7461 108 K 3.9421 8.3559 120.0064 59.3116 32.1293 178.4461 109 E 4.1256 7.9684 117.7392 57.3366 29.5486 178.3052 110 R 3.8130 7.3240 118.2610 59.6478 30.2695 177.9744 111 K 3.8199 8.0903 118.0006 59.6964 31.9000 179.0262 112 A 3.7621 7.7208 119.6442 55.3594 18.5548 179.4539 113 I 3.9290 7.2221 116.7927 64.4424 37.4735 178.0588 114 M 3.9773 8.2081 119.8611 58.9512 31.8922 179.1813 115 S 4.1141 8.8016 115.5764 61.6174 62.8895 176.5444 116 H 4.1954 8.0916 120.9770 59.2877 29.4168 177.3561 117 I 3.9042 7.7051 114.0418 63.3273 37.4387 177.7381 118 A 4.0248 7.9433 122.5428 55.2522 18.7379 179.6434 119 S 4.7460 7.9583 113.4212 60.4809 62.5432 176.3577 120 D 4.2519 7.4081 122.6192 57.6565 40.4547 177.8702 121 M 4.3677 7.3976 115.0788 56.1207 32.0982 176.7708 122 T 3.3067 7.2868 108.3388 60.4022 69.9115 175.8326 123 S 4.0578 7.5307 117.8013 60.8407 62.8428 174.6293 124 D 4.9490 7.4492 119.5871 52.7354 39.6497 175.4599 125 F 5.1193 7.5468 118.3783 57.3636 40.4081 177.1397 126 D 4.6095 8.7203 124.0290 53.8914 39.6670 176.7451 127 S 4.2853 8.4726 122.1776 61.0426 63.1231 176.6954 128 K 4.0358 8.0177 122.0516 59.1714 31.8140 178.8994 129 E 3.9816 8.7141 119.1845 59.5041 29.2121 179.6488 130 I 3.7108 7.6372 119.4224 64.0499 37.2863 177.7010 131 E 3.9201 7.7569 119.6180 59.6073 28.8629 179.1863 132 K 3.7914 7.8585 118.7853 59.7374 32.1861 178.8122 133 V 3.5458 7.3691 117.9723 66.0500 31.3941 178.0428 134 R 3.9119 8.2061 118.5771 59.2909 29.7766 178.3271 135 Q 4.0278 8.0319 118.0272 58.9706 28.6958 179.1026 136 V 3.5512 7.3664 117.8792 66.1093 31.5282 178.0045 137 L 3.9818 7.7918 118.4383 57.8004 41.4102 179.3174 138 E 4.0321 8.9404 119.3983 59.7221 29.3948 179.6266 139 I 3.7742 8.0619 119.8728 64.3898 37.0116 178.6472 140 I 3.8006 8.0157 121.0363 64.0355 36.8238 177.8727 141 D 4.3044 8.8868 120.1076 57.5249 41.0985 177.3823 142 Y 4.0725 8.6874 120.3110 61.1793 38.8986 178.6766 143 R 4.0872 8.5153 118.6207 59.0473 30.0591 179.3417 144 I 3.7532 7.9369 120.0441 64.3836 36.9920 178.1117 145 Q 3.9287 8.0099 117.5322 59.7738 28.9475 178.4876 146 S 3.7093 8.0900 112.8415 62.1409 61.8306 175.4331 147 Y 3.8492 8.2755 120.8198 61.4211 38.5432 178.8025 148 T 4.0810 8.4359 115.1722 67.1831 68.5483 176.1747 149 S 4.2111 7.8513 115.9649 60.3214 63.2079 174.7355 150 K 3.6609 7.1761 117.4412 57.1654 32.3188 176.6429 151 L 4.0083 8.1001 124.0140 54.7943 42.0585 176.3904 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 I 8.02 4.26 1.87 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 1.38 1.10 0.92 0.00 0.00 6 E 7.64 4.53 0.00 2.07 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 2.30 2.36 0.00 7 D 8.76 5.27 0.00 2.96 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 8 H 7.90 4.52 0.00 3.25 3.38 0.00 5.64 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 9 I 7.63 4.04 2.13 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 1.67 1.11 0.97 0.00 0.00 10 S 7.99 4.25 0.00 4.04 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 11 F 8.31 4.20 0.00 3.24 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 12 L 8.37 3.94 0.00 2.05 1.71 1.05 1.06 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 13 E 7.92 4.02 0.00 2.21 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 2.33 2.33 0.00 14 K 8.06 3.82 0.00 1.91 1.98 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.49 7.81 15 F 8.83 3.87 0.00 2.00 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 16 I 8.29 3.39 2.00 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 1.50 0.76 0.83 0.00 0.00 17 N 9.16 4.13 0.00 2.88 2.78 0.00 0.00 7.02 7.96 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 18 D 8.69 4.33 0.00 2.58 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.37 3.36 1.90 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 0.96 0.00 0.00 0.27 0.00 0.00 20 N 8.16 4.19 0.00 2.91 2.79 0.00 0.00 7.06 7.49 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 21 T 8.14 3.83 4.32 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 1.18 0.00 0.00 22 L 8.03 3.96 0.00 1.70 1.80 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.24 3.80 4.35 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 1.16 0.00 0.00 24 A 7.95 3.97 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 25 K 7.85 4.02 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 26 L 7.96 4.05 0.00 1.80 1.71 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.05 4.58 0.00 1.73 1.65 0.86 0.51 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 28 K 7.67 3.96 0.00 1.96 1.81 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 29 D 8.01 4.38 0.00 2.77 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 30 L 8.05 4.10 0.00 1.64 1.76 1.15 0.36 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 31 Q 7.93 4.31 0.00 2.47 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.52 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 32 T 7.75 3.92 4.40 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 1.23 0.00 0.00 33 E 8.46 3.94 0.00 2.32 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 2.25 2.35 0.00 34 Y 8.40 4.47 0.00 2.95 2.88 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 35 G 8.12 4.16 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 0.00 36 I 7.00 4.46 1.76 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.80 0.00 0.00 37 S 8.00 4.62 0.00 4.06 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 38 A 8.29 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.08 3.99 0.00 2.07 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 0.00 2.41 2.48 0.00 40 Q 8.47 3.95 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 41 S 8.03 4.01 0.00 4.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.65 4.18 0.00 3.21 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.29 3.44 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 0.91 0.00 0.00 0.95 0.00 0.00 44 L 7.45 3.89 0.00 1.99 1.87 0.44 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.74 4.51 0.00 2.90 3.04 0.00 0.00 6.94 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 46 M 10.19 4.20 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 47 L 7.63 4.67 0.00 1.96 1.66 0.91 0.81 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 48 S 7.62 4.14 0.00 3.87 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 49 I 7.01 4.09 1.88 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 1.59 0.96 0.92 0.00 0.00 50 E 7.02 4.59 0.00 2.03 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 2.17 2.28 0.00 51 A 8.46 4.78 1.25 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 0.00 0.00 0.00 52 L 8.42 5.54 0.00 1.57 1.57 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.13 4.84 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 54 V 8.77 3.65 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 1.04 0.00 0.00 0.92 0.00 0.00 55 G 7.97 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.06 4.03 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 57 I 8.17 3.75 1.85 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 1.50 0.90 0.88 0.00 0.00 58 T 8.06 3.86 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 1.25 0.00 0.00 59 E 7.88 3.95 0.00 2.19 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 2.32 2.32 0.00 60 K 7.88 3.97 0.00 2.07 1.82 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 61 Q 7.97 4.54 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.25 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 62 G 7.79 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 0.00 0.00 0.00 63 V 6.97 4.24 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 0.62 0.00 0.00 0.97 0.00 0.00 64 N 8.53 4.49 0.00 2.80 2.69 0.00 0.00 6.51 6.21 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 65 K 9.29 3.88 0.00 1.82 1.82 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.34 7.81 66 A 8.03 3.96 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 67 A 7.96 3.94 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 68 V 7.81 3.59 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 1.05 0.00 0.00 0.97 0.00 0.00 69 S 7.99 4.11 0.00 4.15 3.88 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 70 R 7.65 3.86 0.00 2.03 2.17 0.00 2.80 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 71 R 7.58 3.83 0.00 1.82 2.06 0.00 3.32 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 72 V 7.66 3.69 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 1.02 0.00 0.00 1.02 0.00 0.00 73 K 8.29 4.04 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 74 K 8.86 4.02 0.00 1.97 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 75 L 7.87 4.03 0.00 1.87 1.67 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.59 4.12 0.00 1.84 1.70 0.96 0.63 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 77 N 8.29 4.46 0.00 2.66 2.94 0.00 0.00 7.18 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 78 A 7.36 4.48 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 79 E 8.22 3.87 0.00 2.04 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 0.00 2.26 2.26 0.00 80 L 8.22 5.10 0.00 1.52 1.62 0.80 0.92 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 81 V 7.74 5.03 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 0.72 0.00 0.00 0.94 0.00 0.00 82 K 9.21 4.68 0.00 1.73 1.90 0.00 1.28 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.40 7.81 83 L 8.60 4.88 0.00 1.53 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.90 4.55 0.00 2.30 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 2.29 2.29 0.00 *95 K 8.36 3.89 0.00 1.88 1.75 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 96 I 8.35 3.16 1.87 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 1.41 0.70 0.91 0.00 0.00 97 I 8.66 4.44 1.97 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 1.39 1.31 0.93 0.00 0.00 98 K 8.59 4.97 0.00 1.84 1.93 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.38 7.81 99 L 8.31 5.03 0.00 1.56 1.64 1.00 0.84 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 0.00 100 S 9.05 4.58 0.00 3.86 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 0.00 101 N 9.00 4.33 0.00 2.85 2.96 0.00 0.00 6.93 7.25 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 0.00 102 K 8.13 4.15 0.00 1.97 1.98 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.49 7.81 103 G 8.15 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.20 4.04 0.00 2.05 1.89 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 105 K 8.20 3.92 0.00 2.15 2.07 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.55 7.81 106 Y 7.73 3.78 0.00 2.56 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 0.00 107 I 7.62 3.56 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.74 0.89 0.00 0.00 108 K 8.36 3.94 0.00 1.80 1.84 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.60 7.81 109 E 7.97 4.13 0.00 2.17 1.90 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 2.27 2.30 0.00 110 R 7.32 3.81 0.00 1.69 1.71 0.00 3.02 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.00 111 K 8.09 3.82 0.00 1.93 1.82 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.63 7.81 112 A 7.72 3.76 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 0.00 113 I 7.22 3.93 1.93 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 1.50 1.10 0.89 0.00 0.00 114 M 8.21 3.98 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.87 0.00 115 S 8.80 4.11 0.00 3.81 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 0.00 116 H 8.09 4.20 0.00 3.23 3.43 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.71 3.90 1.83 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 1.55 0.69 0.95 0.00 0.00 118 A 7.94 4.02 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 0.00 119 S 7.96 4.75 0.00 4.06 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 0.00 120 D 7.41 4.25 0.00 2.98 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 0.00 121 M 7.40 4.37 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.52 0.00 122 T 7.29 3.31 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 1.42 0.00 0.00 123 S 7.53 4.06 0.00 3.95 4.06 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 0.00 124 D 7.45 4.95 0.00 2.77 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 0.00 125 F 7.55 5.12 0.00 3.09 2.89 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 0.00 126 D 8.72 4.61 0.00 2.74 2.59 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 0.00 127 S 8.47 4.29 0.00 4.11 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 0.00 128 K 8.02 4.04 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.62 7.81 129 E 8.71 3.98 0.00 2.08 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 2.29 2.34 0.00 130 I 7.64 3.71 2.04 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.94 0.92 0.00 0.00 131 E 7.76 3.92 0.00 2.13 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 0.00 2.34 2.61 0.00 132 K 7.86 3.79 0.00 1.83 1.95 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 133 V 7.37 3.55 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 0.88 0.00 0.00 0.85 0.00 0.00 134 R 8.21 3.91 0.00 1.91 2.06 0.00 3.18 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 135 Q 8.03 4.03 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 136 V 7.37 3.55 2.21 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 1.08 0.00 0.00 0.98 0.00 0.00 137 L 7.79 3.98 0.00 1.91 1.72 0.92 0.93 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 0.00 138 E 8.94 4.03 0.00 2.14 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 2.35 2.60 0.00 139 I 8.06 3.77 2.01 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 1.46 0.84 0.92 0.00 0.00 140 I 8.02 3.80 2.02 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 1.42 0.83 0.92 0.00 0.00 141 D 8.89 4.30 0.00 2.88 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 0.00 142 Y 8.69 4.07 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.52 4.09 0.00 2.17 2.05 0.00 3.24 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.16 0.00 144 I 7.94 3.75 2.01 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 1.51 0.97 0.92 0.00 0.00 145 Q 8.01 3.93 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 146 S 8.09 3.71 0.00 3.37 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 0.00 147 Y 8.28 3.85 0.00 3.20 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 0.00 148 T 8.44 4.08 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 1.24 0.00 0.00 149 S 7.85 4.21 0.00 3.93 3.87 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 0.00 150 K 7.18 3.66 0.00 1.45 1.58 0.00 1.23 0.00 0.00 1.39 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.22 7.81 151 L 8.10 4.01 0.00 1.57 1.48 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.