NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1420 8.0549 120.3175 61.4861 32.9057 174.3935 4 R 4.4765 8.3758 121.4355 55.2008 32.0830 174.1048 5 S 5.8327 8.3860 117.5266 56.8254 68.4242 172.3492 6 L 4.3979 8.0969 116.3169 55.0521 44.9813 173.1710 7 N 5.6113 8.8848 123.8591 52.3404 40.4808 173.9609 8 A 4.7417 8.2454 121.3052 51.5799 22.7051 175.1834 9 T 4.9915 8.3994 109.7566 60.0967 71.8753 173.3513 10 L 5.2624 8.5406 121.7236 53.1120 44.8025 175.9184 11 R 4.9796 9.0654 122.0560 54.4509 33.7115 174.5653 12 D 4.5957 8.9413 126.1402 52.7475 40.9239 176.8368 13 S 4.2474 8.2382 112.2039 59.4605 62.9150 174.6298 14 Q 4.3512 8.5187 121.4999 55.6925 29.1395 175.8990 15 Q 3.9168 8.3401 113.9451 56.9756 26.9450 173.4809 16 K 4.2450 7.5784 118.2123 56.5310 33.3660 176.7984 17 S 5.0403 9.0984 120.4187 57.4795 65.6039 172.9246 18 L 5.3686 8.3009 120.8436 53.5852 44.3507 176.0361 19 V 4.6760 8.6184 114.5999 60.1908 37.0220 174.1402 20 M 4.5301 8.4004 122.2093 54.6813 31.0752 176.1405 21 S 4.2300 8.1884 122.1429 58.2814 63.7462 177.4181 22 G 4.4613 7.4538 112.6511 43.6652 0.0000 171.6530 23 P 4.0886 0.0000 0.0000 65.5279 31.3970 176.7231 24 Y 4.8029 7.6370 112.8864 57.2722 39.9970 174.2995 25 E 4.9432 8.0682 118.8346 54.5596 34.0049 174.4753 26 L 5.1923 8.4782 121.1334 53.1367 44.7367 175.6364 27 K 5.2154 9.4889 121.0402 54.5688 36.6884 174.7364 28 A 5.3911 8.5573 123.7026 50.1917 21.5598 175.6237 29 L 4.9282 8.7247 121.6491 54.0909 44.5847 175.2654 30 H 4.5972 8.6612 119.1196 56.0256 29.0560 174.9410 31 L 4.7716 8.4602 124.4809 53.2948 45.0770 174.9738 32 Q 4.4880 8.5601 124.8864 55.5913 32.7182 174.6437 33 G 3.8762 8.6250 107.9881 44.3769 0.0000 173.7583 34 Q 4.1589 8.6083 115.9846 58.3521 28.8479 177.3143 35 D 4.3795 8.0560 120.1489 57.2321 41.0458 177.2040 36 M 4.1046 7.8159 118.3038 58.2368 32.4823 177.4564 37 E 4.1359 8.0984 118.1574 58.9043 29.1883 177.8339 38 Q 4.4367 7.5644 116.2047 56.0130 28.8617 174.9301 39 Q 4.5304 7.4663 118.9918 55.1658 30.2265 175.1363 40 V 3.6445 8.0524 125.4686 62.5900 32.3743 175.2014 41 V 4.2330 8.0123 127.8149 61.6495 33.1985 174.9257 42 F 4.6656 9.0878 127.1567 56.9040 41.1299 174.9406 43 S 4.7218 8.8742 117.2244 57.1527 63.7742 172.6201 44 M 4.6149 9.1928 129.4660 54.6870 33.3480 174.7837 45 S 5.1765 8.7325 122.9827 57.0368 65.5181 173.7493 46 F 4.7036 9.1921 124.2413 57.0355 38.8556 175.5964 47 V 4.4669 7.8507 117.8516 59.5344 34.1574 175.4463 48 Q 4.2729 9.0778 123.1102 55.3846 29.7843 176.9012 49 G 3.8167 7.8590 109.9818 45.8272 0.0000 170.8546 50 E 4.2866 8.4048 121.2496 55.4758 29.5434 175.7048 51 E 4.9158 8.5805 122.1048 54.4993 31.6634 174.8196 52 S 4.7436 8.9416 117.4466 56.8004 65.8841 175.0701 53 N 4.5797 8.7778 118.2725 54.6300 37.6944 173.0101 54 D 4.8383 8.0726 115.8042 55.0783 43.4423 176.7320 55 K 4.9704 7.7012 118.9120 54.5692 34.8333 175.6675 56 I 4.9967 8.6547 126.1532 58.5731 40.2318 173.1865 57 P 5.0232 0.0000 0.0000 62.9518 32.5438 175.8530 58 V 4.6975 9.4365 116.1563 59.5385 36.5472 174.0372 59 A 5.4623 8.7076 123.0799 49.5316 22.3439 175.8735 60 L 4.7583 8.9158 120.4580 53.1390 44.0224 176.0582 61 G 3.5445 8.5784 111.5779 43.8224 0.0000 170.8903 62 L 4.2867 8.0375 120.8207 53.4051 42.9292 177.0635 63 K 3.9061 8.6874 128.3272 58.3458 32.3599 177.0311 64 E 3.8385 8.9505 120.2329 56.1555 27.3933 170.3895 65 K 4.6142 7.5786 118.0081 55.4685 35.3904 176.8472 66 N 4.8534 8.3824 121.4104 52.5613 35.6823 174.3425 67 L 5.3441 7.2528 119.0642 53.8097 46.4210 176.9236 68 Y 4.9684 9.1663 120.8137 55.6555 41.9207 175.0383 69 L 4.7798 8.8116 124.2508 55.6508 42.3538 176.7025 70 S 5.2179 9.8300 119.8237 56.2441 66.4615 172.0075 71 C 5.3368 8.4484 113.1033 57.7108 32.9202 173.6464 72 V 4.5011 8.6451 111.0907 59.4212 36.0583 174.2034 73 L 3.9672 8.7742 124.4196 55.4583 42.1301 177.2281 74 K 4.2285 8.7827 126.4870 55.8271 33.8039 176.8934 75 D 4.8199 9.0929 124.7663 54.5482 36.6439 170.5710 76 D 4.5714 8.3529 114.7183 55.6338 38.5059 174.2383 77 K 4.4310 7.2801 116.6454 53.6130 36.5813 174.3278 78 P 3.6697 0.0000 0.0000 63.0107 31.7594 175.9678 79 T 4.6721 7.9359 118.6601 61.6535 73.0445 172.8573 80 L 4.8800 8.7484 128.5393 54.9923 43.0748 175.6475 81 Q 4.7784 9.0395 123.0704 54.6794 32.8768 173.4163 82 L 5.1156 8.6252 119.6808 53.8270 43.1268 175.8816 83 E 4.9449 9.4959 124.4364 54.3997 32.8656 175.0792 84 S 5.0345 9.0203 122.3928 58.7639 63.7923 173.7356 85 V 4.5354 8.1371 115.4567 58.9685 36.0601 175.0633 86 D 4.4225 8.7648 121.8788 54.0333 41.1926 175.3026 87 P 4.5978 0.0000 0.0000 64.4828 31.6957 177.1740 88 K 4.2550 8.0681 117.6337 57.8422 32.4615 177.1473 89 N 4.6677 8.0498 113.9110 53.1972 39.2037 174.4413 90 Y 4.5369 7.5667 115.3777 55.2725 41.4361 173.3719 91 P 4.7812 0.0000 0.0000 61.8700 33.0555 174.7850 92 K 4.6182 7.8321 116.8299 54.0136 35.6913 176.8465 93 K 4.0631 8.6150 121.4754 59.2909 32.4284 176.7734 94 K 4.1031 7.5155 120.8974 54.9849 30.5604 174.5059 95 M 4.3186 7.7696 121.2193 54.1783 33.6192 175.8139 96 E 4.1846 8.9373 124.4084 56.3328 30.6100 178.0948 97 K 3.7916 8.8696 121.9159 59.7003 32.3217 179.3478 98 R 3.7649 7.7264 114.1948 58.1888 29.2457 177.5966 99 F 4.9031 8.1029 116.5037 57.5089 39.8141 174.7863 100 V 4.7396 7.4242 122.5700 61.2951 33.2565 174.5034 101 F 5.3347 9.3065 126.4127 55.7385 42.6594 174.3066 102 N 5.1618 9.4827 120.6305 52.1512 39.8514 174.4738 103 K 4.0804 9.3868 127.5885 56.0840 33.4298 175.5333 104 I 5.4591 8.4514 129.4393 58.8396 39.5528 174.7544 105 E 4.6032 8.7656 127.2161 55.9049 30.3571 177.4497 106 I 4.3262 8.9953 128.2783 61.4958 39.4724 174.1077 107 N 4.0018 9.3287 124.9553 54.0026 34.1592 175.3640 108 N 4.4953 8.1307 114.2374 52.4411 37.1329 175.4611 109 K 4.9441 7.6164 115.8039 55.6330 35.3105 175.2566 110 L 5.1554 8.8669 122.5307 53.1514 44.6923 175.4224 111 E 5.2319 8.9488 121.3538 54.6920 33.5422 175.3053 112 F 5.1284 9.0033 121.5934 55.8628 40.9992 173.5324 113 E 4.5481 9.0033 125.7427 54.7284 31.1741 175.3908 114 S 4.2063 9.2330 122.3366 58.4724 62.3306 174.1461 115 A 4.0445 8.5775 131.9099 55.6132 18.2125 179.5790 *116 Q 4.0656 7.8776 113.1687 56.9174 28.7041 179.4245 117 F 4.7166 7.9883 118.8379 53.9848 39.4778 171.9814 118 P 4.4242 0.0000 0.0000 64.4054 31.6057 176.4320 119 N 4.2456 9.5267 118.5988 53.5288 36.8616 173.6448 120 W 4.8995 8.2237 119.3392 55.4738 31.1083 174.9413 121 Y 5.3117 8.9274 121.7558 55.7491 41.2129 175.2327 122 I 4.1635 8.9008 124.3807 62.2600 37.7418 175.7949 123 S 5.0760 9.2656 122.9829 56.8185 67.1724 173.1621 124 T 4.9137 8.7399 112.4033 60.0634 72.2484 172.5100 125 S 5.0716 8.5973 115.8479 56.7949 63.6427 173.9044 126 Q 4.0178 8.8624 125.0066 58.4362 29.2044 176.4222 127 A 4.5527 7.4265 119.4492 50.4883 19.9678 176.7684 128 E 4.0177 8.5980 121.7005 58.3924 30.0568 177.9601 129 N 4.6780 8.8570 118.0614 53.6797 35.9776 173.5350 130 M 4.8007 7.2085 117.8856 53.8556 34.6941 174.3291 131 P 4.9332 0.0000 0.0000 62.5481 32.4746 176.4235 132 V 4.2603 8.6074 123.5969 63.1206 32.4005 175.0659 133 F 5.1442 8.7278 121.4393 55.4358 42.3281 172.5887 134 L 5.1164 8.9587 121.0283 53.8924 42.7419 175.5805 135 G 4.4329 9.3689 114.1892 44.6168 0.0000 173.5603 136 G 2.6010 8.1976 112.3499 45.1882 0.0000 174.0822 137 T 4.4589 7.3769 112.1665 58.6085 71.0691 178.7662 138 K 4.1947 8.9089 126.5104 54.4808 33.4286 175.0722 139 G 3.1018 10.1339 109.3968 45.3423 0.0000 174.8054 140 G 3.7511 8.0623 108.9484 45.6765 0.0000 173.5310 141 Q 4.8106 7.9865 135.0000 57.2673 29.4522 174.7183 142 D 4.7331 8.9224 112.2458 53.7368 42.9367 175.8212 143 I 4.0930 8.4661 123.8726 60.9052 37.8436 176.4287 144 T 4.9200 8.3218 113.7893 61.1534 70.0579 173.3115 145 D 5.3420 7.5968 122.0716 51.7838 42.6365 174.9053 146 F 5.3726 9.1065 118.7118 56.0491 43.5201 174.1761 147 T 4.9270 8.9136 111.6421 60.4805 71.7994 172.7614 148 M 5.1687 8.4980 120.8672 53.8330 35.3437 174.2640 149 Q 4.7994 8.7628 124.0767 53.9855 32.0372 175.0794 150 F 4.8081 9.1875 122.5130 57.6879 39.8616 174.9966 151 V 4.6879 8.1827 114.8030 59.5321 35.9094 175.1476 152 S 4.2591 8.6954 118.9240 58.5461 63.1687 174.8068 *153 S 4.2830 8.5100 121.8812 58.4291 62.7319 172.2766 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 3 V 8.05 4.14 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 0.96 0.00 0.00 1.04 0.00 0.00 4 R 8.38 4.48 0.00 2.02 2.00 0.00 3.08 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 5 S 8.39 5.83 0.00 3.78 3.83 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 6 L 8.10 4.40 0.00 2.10 1.77 1.27 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.88 5.61 0.00 3.02 2.73 0.00 0.00 7.31 7.04 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 8 A 8.25 4.74 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.40 4.99 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 1.22 0.00 0.00 10 L 8.54 5.26 0.00 1.40 1.52 -0.31 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.07 4.98 0.00 1.88 1.76 0.00 3.21 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 12 D 8.94 4.60 0.00 2.30 2.60 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 0.00 0.00 0.00 0.00 13 S 8.24 4.25 0.00 3.82 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 14 Q 8.52 4.35 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.01 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 15 Q 8.34 3.92 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 16 K 7.58 4.25 0.00 1.91 1.65 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.80 1.19 7.81 17 S 9.10 5.04 0.00 3.75 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 18 L 8.30 5.37 0.00 1.66 1.61 0.96 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 19 V 8.62 4.68 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 0.74 0.00 0.00 0.93 0.00 0.00 20 M 8.40 4.53 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 21 S 8.19 4.23 0.00 3.84 3.79 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 22 G 7.45 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.09 0.00 1.87 2.10 0.00 3.78 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 2.27 2.10 0.00 24 Y 7.64 4.80 0.00 3.07 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 25 E 8.07 4.94 0.00 1.92 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 2.35 2.37 0.00 26 L 8.48 5.19 0.00 1.67 1.59 0.88 1.17 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 27 K 9.49 5.22 0.00 1.63 1.68 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 28 A 8.56 5.39 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 29 L 8.72 4.93 0.00 1.87 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.66 4.60 0.00 3.02 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.46 4.77 0.00 1.53 1.49 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.56 4.49 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.12 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 33 G 8.62 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 0.00 0.00 0.00 34 Q 8.61 4.16 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.84 0.00 0.00 0.00 0.00 0.00 2.41 1.98 0.00 35 D 8.06 4.38 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 7.82 4.10 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 37 E 8.10 4.14 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 38 Q 7.56 4.44 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.64 2.27 0.00 39 Q 7.47 4.53 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 40 V 8.05 3.64 1.82 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 -0.11 0.00 0.00 0.72 0.00 0.00 41 V 8.01 4.23 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 0.97 0.00 0.00 0.88 0.00 0.00 42 F 9.09 4.67 0.00 2.98 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 43 S 8.87 4.72 0.00 3.83 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 44 M 9.19 4.61 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.83 0.00 45 S 8.73 5.18 0.00 3.86 3.80 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 46 F 9.19 4.70 0.00 2.97 3.13 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 47 V 7.85 4.47 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 48 Q 9.08 4.27 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 49 G 7.86 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 0.00 0.00 0.00 50 E 8.40 4.29 0.00 2.24 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 1.86 0.00 51 E 8.58 4.92 0.00 2.27 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 2.22 2.29 0.00 52 S 8.94 4.74 0.00 3.80 3.80 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 53 N 8.78 4.58 0.00 2.78 2.73 0.00 0.00 6.54 8.06 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 54 D 8.07 4.84 0.00 2.65 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 55 K 7.70 4.97 0.00 1.81 1.73 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 56 I 8.65 5.00 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 1.18 0.00 0.00 57 P 0.00 5.02 0.00 2.17 2.23 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 58 V 9.44 4.70 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 0.46 0.00 0.00 1.08 0.00 0.00 59 A 8.71 5.46 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 60 L 8.92 4.76 0.00 1.41 1.29 -0.26 0.35 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 61 G 8.58 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 62 L 8.04 4.29 0.00 1.36 1.31 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.69 3.91 0.00 1.65 1.65 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.36 7.81 64 E 8.95 3.84 0.00 2.20 1.91 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 2.12 1.88 0.00 65 K 7.58 4.61 0.00 1.55 1.58 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.21 7.81 66 N 8.38 4.85 0.00 2.97 3.03 0.00 0.00 5.99 6.67 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 67 L 7.25 5.34 0.00 1.38 1.44 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.17 4.97 0.00 2.84 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 69 L 8.81 4.78 0.00 1.68 1.82 1.08 0.35 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 70 S 9.83 5.22 0.00 3.44 3.70 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 71 C 8.45 5.34 0.00 3.05 2.98 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 72 V 8.65 4.50 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 0.77 0.00 0.00 0.89 0.00 0.00 73 L 8.77 3.97 0.00 1.50 1.60 0.94 0.58 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 74 K 8.78 4.23 0.00 1.69 1.65 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.28 7.81 75 D 9.09 4.82 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.57 0.00 3.06 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 77 K 7.28 4.43 0.00 1.57 1.38 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.37 7.81 78 P 0.00 3.67 0.00 0.49 0.49 0.00 2.37 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.49 0.00 79 T 7.94 4.67 4.36 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 1.22 0.00 0.00 80 L 8.75 4.88 0.00 1.78 1.70 1.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.04 4.78 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 82 L 8.63 5.12 0.00 1.90 1.75 0.88 0.86 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 83 E 9.50 4.94 0.00 2.13 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 0.00 2.34 2.33 0.00 84 S 9.02 5.03 0.00 3.92 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 85 V 8.14 4.54 1.13 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 0.12 0.00 0.00 0.60 0.00 0.00 86 D 8.76 4.42 0.00 2.79 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 87 P 0.00 4.60 0.00 2.26 2.20 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 88 K 8.07 4.25 0.00 1.99 1.91 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 89 N 8.05 4.67 0.00 2.71 2.46 0.00 0.00 6.76 7.29 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 90 Y 7.57 4.54 0.00 2.89 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 91 P 0.00 4.78 0.00 2.22 2.19 0.00 3.52 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 2.06 2.30 0.00 92 K 7.83 4.62 0.00 1.59 1.58 0.00 1.69 0.00 0.00 1.33 0.00 0.00 2.43 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.06 0.83 7.81 93 K 8.62 4.06 0.00 1.89 1.80 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.00 7.81 94 K 7.52 4.10 0.00 1.99 1.69 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.35 0.98 7.81 95 M 7.77 4.32 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 96 E 8.94 4.18 0.00 2.49 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 97 K 8.87 3.79 0.00 1.67 1.71 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.30 7.81 98 R 7.73 3.76 0.00 1.68 1.94 0.00 2.59 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 99 F 8.10 4.90 0.00 3.27 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 0.00 100 V 7.42 4.74 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 0.96 0.00 0.00 1.00 0.00 0.00 101 F 9.31 5.33 0.00 3.11 3.12 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 0.00 102 N 9.48 5.16 0.00 2.68 2.80 0.00 0.00 6.64 7.26 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 0.00 103 K 9.39 4.08 0.00 1.80 1.81 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 0.88 7.81 104 I 8.45 5.46 1.87 0.00 0.00 1.00 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 0.71 0.93 0.00 0.00 105 E 8.77 4.60 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 106 I 9.00 4.33 1.84 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 1.15 0.46 0.88 0.00 0.00 107 N 9.33 4.00 0.00 2.78 2.78 0.00 0.00 6.90 6.91 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 0.00 108 N 8.13 4.50 0.00 2.90 2.84 0.00 0.00 6.89 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.62 4.94 0.00 1.70 1.70 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.38 7.81 110 L 8.87 5.16 0.00 1.52 1.12 0.97 0.74 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 0.00 111 E 8.95 5.23 0.00 1.91 1.88 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 2.28 2.19 0.00 112 F 9.00 5.13 0.00 2.80 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 0.00 113 E 9.00 4.55 0.00 2.00 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 2.12 1.65 0.00 114 S 9.23 4.21 0.00 3.99 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 0.00 115 A 8.58 4.04 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 *116 Q 7.88 4.07 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 117 F 7.99 4.72 0.00 2.92 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 0.00 118 P 0.00 4.42 0.00 2.12 2.06 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 119 N 9.53 4.25 0.00 2.91 3.04 0.00 0.00 6.97 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.22 4.90 0.00 3.44 3.22 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 0.00 121 Y 8.93 5.31 0.00 2.94 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 0.00 122 I 8.90 4.16 1.74 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.52 0.63 0.00 0.00 123 S 9.27 5.08 0.00 2.72 3.39 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 0.00 124 T 8.74 4.91 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 1.37 0.00 0.00 125 S 8.60 5.07 0.00 4.08 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 0.00 126 Q 8.86 4.02 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.34 1.93 0.00 127 A 7.43 4.55 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 0.00 128 E 8.60 4.02 0.00 2.04 1.91 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 2.44 2.29 0.00 129 N 8.86 4.68 0.00 2.90 2.79 0.00 0.00 6.92 8.47 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 0.00 130 M 7.21 4.80 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.89 0.00 131 P 0.00 4.93 0.00 2.05 2.06 0.00 3.71 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 2.05 2.12 0.00 132 V 8.61 4.26 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 0.79 0.00 0.00 1.00 0.00 0.00 133 F 8.73 5.14 0.00 3.21 3.13 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 0.00 134 L 8.96 5.12 0.00 1.91 1.90 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.37 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.20 2.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.38 4.46 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 1.21 0.00 0.00 138 K 8.91 4.19 0.00 1.58 1.56 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.90 1.02 7.81 139 G 10.13 3.10 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 0.00 0.00 0.00 140 G 8.06 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 0.00 141 Q 7.99 4.81 0.00 2.26 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 142 D 8.92 4.73 0.00 2.82 2.90 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 0.00 143 I 8.47 4.09 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.60 0.00 0.00 144 T 8.32 4.92 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 1.14 0.00 0.00 145 D 7.60 5.34 0.00 2.72 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 0.00 146 F 9.11 5.37 0.00 3.23 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 0.00 147 T 8.91 4.93 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 1.24 0.00 0.00 148 M 8.50 5.17 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 149 Q 8.76 4.80 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 F 9.19 4.81 0.00 2.89 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 0.00 151 V 8.18 4.69 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 0.69 0.00 0.00 0.96 0.00 0.00 152 S 8.70 4.26 0.00 3.87 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 *153 S 8.51 4.28 0.00 3.64 3.66 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 * Residues marked with a * may have inaccurate shift predictions.