NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.9822 8.1733 120.0577 56.2302 34.6966 173.5578 3 F 5.1082 8.0696 119.3611 56.3863 40.5343 173.8659 4 Y 5.4696 9.3860 121.0582 56.4781 42.7335 174.2594 5 T 5.2353 9.3597 111.2902 60.2673 72.3968 172.9652 6 I 5.0728 8.1774 121.6335 59.0048 40.7086 175.8123 7 S 4.2559 8.8083 121.0283 59.1610 63.4738 175.9308 8 S 4.2655 8.9363 118.0992 61.2946 62.6073 176.7248 9 K 4.0202 8.2506 121.3352 60.7195 31.6583 178.4418 10 Y 3.5660 7.8073 120.7249 59.5215 38.4552 178.0427 11 I 3.8393 7.6201 120.9853 63.9332 37.0520 178.0925 12 E 3.9971 8.3538 119.1553 59.3723 29.6169 178.2953 13 Y 4.5311 8.3968 119.8214 61.0700 38.8980 178.3424 14 L 3.7587 7.4762 119.1273 57.5986 41.3827 179.6435 15 K 4.2042 7.7976 117.8173 58.9381 31.6597 179.0684 16 E 3.8865 7.8869 118.5811 58.4647 29.3092 178.1772 17 F 4.9021 7.8291 115.8143 56.9724 40.6039 175.5194 18 D 4.3739 7.4448 118.1294 53.2670 42.3923 175.3664 19 D 4.4855 8.6659 127.5055 55.5873 39.6520 178.0466 20 K 3.9843 8.5583 119.7524 58.7748 32.2490 177.8339 21 V 3.6268 7.5046 118.6142 62.3687 31.6775 173.9169 22 P 4.2571 0.0000 0.0000 62.6522 31.6048 175.8583 23 N 4.4131 8.6888 118.9101 54.0127 39.0769 174.7775 24 S 4.6793 8.8461 117.0062 59.6417 63.3408 174.0858 25 E 4.8499 7.9322 117.5271 54.4641 32.7322 174.5518 26 D 4.3837 8.0231 120.8873 51.8375 44.2316 173.9068 27 P 4.0852 0.0000 0.0000 65.9676 31.3783 176.8486 28 T 4.2052 8.1262 109.7890 62.1287 67.2819 173.8628 29 Y 4.6247 7.8571 119.2221 57.5928 36.7751 175.1151 30 Q 3.8529 8.1023 124.9907 58.5321 29.3185 178.1072 31 N 4.6003 7.2627 117.1938 51.1991 40.2986 173.3613 32 P 4.4999 0.0000 0.0000 62.2308 31.9977 176.2062 33 K 3.8068 8.6327 121.0087 56.4909 32.8729 175.8261 34 A 5.3017 8.2789 126.7920 50.3216 22.2736 174.9905 35 F 5.3407 9.7851 118.4818 55.7101 43.1392 174.3483 36 I 4.5476 9.3322 122.2408 60.2909 39.8180 175.3337 37 G 4.2042 8.4621 116.1529 45.4911 0.0000 172.2103 38 I 4.0712 7.9511 128.2100 61.2142 34.0196 174.4709 39 V 3.7150 7.4965 116.0216 63.6307 32.4261 176.5774 40 L 4.6316 7.5485 121.1014 53.6390 44.7507 173.3226 41 E 5.5218 8.5595 125.6445 53.5108 31.7553 174.3544 42 I 4.3928 8.4219 124.5037 61.2682 41.0260 173.9773 43 Q 3.2791 9.7103 123.5672 57.0995 26.2319 174.7968 44 G 3.8761 8.1801 101.5958 46.6162 0.0000 173.1672 45 H 4.8697 8.7530 117.9359 53.6547 30.4407 173.8347 46 K 4.8806 8.3886 123.5964 55.1915 33.9281 174.7941 47 Y 4.9227 8.9499 123.8628 56.4216 40.1735 174.9043 48 L 5.5418 8.8718 122.1578 51.9624 44.9719 175.7758 49 A 5.1773 8.6727 124.2885 49.4762 22.1491 174.0658 50 P 4.0615 0.0000 0.0000 62.5453 32.7371 175.8054 51 L 4.8122 8.2731 123.3525 55.0593 42.9884 176.3849 52 T 4.6630 8.4082 115.5714 60.8831 71.0649 173.3942 53 S 4.6478 8.6684 123.4225 57.0970 64.3764 172.2119 54 P 3.9759 0.0000 0.0000 63.1205 31.5769 175.9113 55 K 4.4794 6.8274 119.9502 53.6011 35.7566 177.4012 56 K 3.9247 8.4222 119.2893 59.3440 31.8970 179.0801 57 W 4.5808 7.7602 114.3952 58.0657 27.9875 177.3024 58 H 4.1438 7.3520 117.9605 58.2010 27.8158 177.0031 59 N 4.1590 7.7004 118.3555 55.9866 38.4274 175.9615 60 N 4.4700 7.9754 116.4837 55.0287 39.0926 175.3315 61 V 3.7799 7.3439 117.8195 62.4219 31.3703 175.6693 62 K 4.3355 8.3893 127.0644 55.8069 33.7915 177.4828 63 E 3.9013 8.8394 121.5936 59.4382 29.5874 178.5968 64 S 4.2410 8.0210 111.9166 60.7082 63.2787 174.6782 65 S 4.1826 7.7971 115.5561 58.6667 62.4035 174.0850 66 L 4.3342 8.3876 125.7691 56.7126 42.4306 178.2770 67 S 4.3512 8.1975 115.6269 61.3469 63.4809 174.3400 68 C 5.3945 7.9730 113.8213 57.9123 32.5136 173.5061 69 F 4.7099 8.9422 124.3737 56.3124 40.6773 174.9315 70 K 4.3749 8.1780 126.7128 56.4426 32.5483 177.0314 71 L 4.6614 8.6419 125.3740 54.2559 43.7353 175.2865 72 H 4.6448 6.7634 114.0831 54.5230 30.7111 173.3590 73 E 3.9609 8.0287 120.4982 56.3722 30.7739 175.9299 74 N 4.4270 8.8731 123.0289 55.1011 38.6027 175.6666 75 G 4.0201 9.1669 111.5475 45.6622 0.0000 173.4447 76 V 4.3314 7.3515 119.8291 59.8258 31.0174 173.7429 77 P 3.7487 0.0000 0.0000 64.9108 31.6871 177.8501 78 E 4.0020 7.9683 113.9509 58.0219 30.4412 176.9341 79 N 4.5985 7.8368 121.8616 51.7937 37.3912 173.8992 80 Q 4.2407 7.6899 118.6857 56.3092 29.7666 177.0184 81 L 4.5898 8.1495 122.0969 54.3764 42.9314 178.1340 82 G 3.8546 8.4426 109.4873 44.5458 0.0000 172.5499 83 L 5.2713 8.2086 117.3050 54.0466 44.8190 175.4789 84 I 4.5033 8.9746 121.2764 61.0174 38.6784 175.5602 85 N 5.2542 9.3781 126.7816 52.0438 37.1180 175.6795 86 L 4.2344 8.3994 123.1527 57.3252 42.3024 178.4540 87 K 3.7336 8.3512 118.1616 58.8193 32.3527 175.6991 88 F 5.3847 7.5456 117.8180 55.6406 40.7905 174.9070 *90 I 4.3669 8.1742 117.3611 60.0028 39.2184 173.0981 91 P 4.1669 0.0000 0.0000 61.9074 32.2508 174.9670 92 I 4.5005 7.8329 113.7782 57.8924 40.7095 174.6075 93 I 4.3877 7.1697 120.2123 59.2830 38.9405 176.5238 94 E 3.4806 8.9290 125.5861 59.5622 29.4265 179.0653 95 A 4.1875 7.7948 118.7719 53.5603 19.0359 177.2213 96 E 4.5860 8.7069 115.0959 55.6513 31.1698 175.5228 97 V 4.7088 7.3340 119.8381 61.0783 34.1625 174.9007 98 S 4.8414 9.0831 120.7136 56.4777 65.9712 172.9098 99 L 4.2513 8.6865 126.8045 54.1645 42.2810 176.8555 100 L 3.9876 8.5611 124.5024 54.4243 42.1229 178.2738 101 D 4.6873 8.3777 124.5469 53.5169 39.4606 176.6545 102 L 3.9467 7.7435 121.3454 57.5715 42.3490 179.3192 103 G 3.7499 8.0822 105.5756 46.9150 0.0000 173.2034 104 N 4.7190 8.0103 117.5072 50.5793 39.0888 171.5397 *106 P 4.0668 0.0000 0.0000 61.5509 32.6484 176.2517 107 N 4.3882 8.7950 120.5893 54.3361 38.3415 173.7753 108 T 4.8085 7.9914 114.7211 58.6871 72.3197 173.0542 109 P 4.1709 0.0000 0.0000 66.2605 31.4398 177.4612 110 Y 4.1587 8.0175 117.3549 60.5060 39.0685 176.7436 111 K 3.6774 8.0610 120.7712 59.5551 32.4856 179.2613 112 R 4.2344 8.1315 115.1312 56.8920 29.4896 178.2632 *114 L 3.9703 7.9941 120.5285 54.9458 43.6317 178.9644 115 Y 4.3213 7.5438 116.3353 60.6779 37.6030 178.1904 116 K 3.9671 7.9557 119.3113 59.6755 32.1597 179.1324 117 Q 4.0765 8.1138 117.4604 59.0092 28.6716 178.2252 118 L 3.9466 8.5880 121.5482 58.5913 42.0578 178.8029 119 Q 3.9957 8.2279 119.0107 59.3363 28.7929 178.1375 120 F 4.3195 7.9489 120.1122 61.3322 39.7055 176.8616 121 I 3.7378 8.3438 119.9195 64.3079 36.8594 178.2555 122 R 3.8210 8.6965 120.3527 59.1957 29.6940 177.5153 123 A 4.4976 7.7757 117.1768 52.4879 19.0040 177.1270 124 N 4.7957 7.4788 113.8704 52.6028 40.4833 176.7413 125 S 3.8693 7.6474 115.5102 61.7866 62.6627 176.3763 126 D 4.2202 7.9515 120.7074 57.4186 40.6443 178.5941 127 K 3.7633 8.0017 118.2153 59.8878 31.9665 178.9553 128 I 3.2475 7.3242 119.1954 64.2318 36.9412 178.1623 129 A 4.6751 8.1693 123.1150 54.7403 18.2842 179.5509 130 S 3.9685 8.7795 112.2265 61.5181 62.4160 176.6528 131 K 4.0050 8.2931 121.5335 59.4428 31.8074 179.5988 132 S 3.9584 8.1898 115.6010 61.5860 62.7683 175.7728 133 D 4.2095 8.0863 120.7341 58.0613 40.8412 178.6171 134 T 3.8345 7.7912 115.4364 66.4505 68.4292 176.2662 135 L 3.9370 8.2425 122.6138 58.1550 42.0042 178.9994 136 R 3.8223 7.8433 118.3176 59.5179 30.0324 177.7401 137 N 4.3750 7.9833 116.2382 56.6244 38.6307 177.1413 138 L 3.9274 8.0573 119.6967 57.8821 41.7713 179.4967 139 V 3.6032 8.1743 118.4430 66.3161 31.1745 178.0384 140 L 4.0540 8.5360 117.7360 58.0337 41.6340 179.4146 141 Q 4.1979 8.4339 116.6790 57.1201 28.5409 177.5326 142 G 3.9145 7.7396 107.1662 46.0366 0.0000 173.8017 143 K 4.4135 7.6675 117.1238 55.9513 31.8395 176.5172 *145 Q 3.9334 7.9008 116.4751 56.9786 29.8203 176.3041 146 G 3.7639 8.6971 105.6760 46.2228 0.0000 173.5758 147 T 4.2686 6.6838 110.7004 59.5178 71.0136 174.0661 148 C 4.4622 8.1293 119.2738 59.9679 28.7376 174.8594 149 N 4.4776 9.3811 121.8185 51.7924 36.1755 175.3490 150 F 4.7445 7.6209 123.9955 60.4783 39.4253 176.3663 151 S 4.2286 8.3127 111.7648 61.6582 62.1179 176.0326 152 L 3.9538 8.0699 122.1176 58.0600 41.9624 178.6121 153 L 3.9085 8.7494 119.9909 57.9708 41.3797 179.3035 154 E 4.0841 8.8071 117.8230 59.4149 29.4196 178.8828 155 E 4.0822 7.8117 118.1525 59.1502 30.1854 178.4763 156 K 4.0818 7.9524 117.9519 58.1133 32.0894 178.6408 157 Y 4.3255 8.0335 117.8992 60.3390 38.1057 178.5797 158 R 3.9777 7.0650 118.8382 58.2199 29.8423 177.5748 159 D 4.4839 7.6571 117.1308 54.6600 40.8390 177.5510 160 F 3.2919 8.5435 124.1541 61.3276 39.3882 178.2798 161 G 3.5524 7.8945 104.4931 45.5715 0.0000 173.4000 162 K 4.0340 7.6056 125.2866 56.2162 33.0559 176.2151 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 2 K 8.17 3.98 0.00 1.56 1.54 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.40 7.81 3 F 8.07 5.11 0.00 2.98 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 4 Y 9.39 5.47 0.00 2.97 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 5 T 9.36 5.24 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 1.34 0.00 0.00 6 I 8.18 5.07 1.72 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.16 0.91 0.00 0.00 7 S 8.81 4.26 0.00 3.96 4.03 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 8 S 8.94 4.27 0.00 3.96 4.02 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 9 K 8.25 4.02 0.00 2.42 2.31 0.00 1.90 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.67 7.81 10 Y 7.81 3.57 0.00 2.40 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 11 I 7.62 3.84 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.98 0.00 0.00 12 E 8.35 4.00 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 13 Y 8.40 4.53 0.00 3.35 3.24 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 14 L 7.48 3.76 0.00 1.57 1.56 0.67 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.80 4.20 0.00 1.92 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.57 7.81 16 E 7.89 3.89 0.00 1.66 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 2.24 2.48 0.00 17 F 7.83 4.90 0.00 2.99 3.01 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 18 D 7.44 4.37 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.67 4.49 0.00 2.80 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 20 K 8.56 3.98 0.00 2.22 2.07 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.82 1.75 7.81 21 V 7.50 3.63 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 0.85 0.00 0.00 0.99 0.00 0.00 22 P 0.00 4.26 0.00 2.38 2.12 0.00 3.99 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 23 N 8.69 4.41 0.00 2.83 2.85 0.00 0.00 6.90 7.57 0.00 0.00 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 S 8.85 4.68 0.00 3.98 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 25 E 7.93 4.85 0.00 1.97 1.79 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 2.26 2.35 0.00 26 D 8.02 4.38 0.00 1.58 1.54 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 27 P 0.00 4.09 0.00 2.01 2.09 0.00 3.55 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 28 T 8.13 4.21 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 1.28 0.00 0.00 29 Y 7.86 4.62 0.00 3.07 3.04 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 0.00 0.00 0.00 30 Q 8.10 3.85 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 31 N 7.26 4.60 0.00 2.21 2.44 0.00 0.00 6.90 8.02 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 32 P 0.00 4.50 0.00 2.25 2.11 0.00 3.68 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 2.01 1.98 0.00 33 K 8.63 3.81 0.00 1.76 1.89 0.00 1.61 0.00 0.00 2.03 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.08 1.14 7.81 34 A 8.28 5.30 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 35 F 9.79 5.34 0.00 3.01 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 9.33 4.55 1.95 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.15 0.95 0.00 0.00 37 G 8.46 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 38 I 7.95 4.07 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.99 0.00 0.00 39 V 7.50 3.72 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 0.74 0.00 0.00 1.03 0.00 0.00 40 L 7.55 4.63 0.00 1.49 1.41 0.52 0.73 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 41 E 8.56 5.52 0.00 1.91 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 2.17 2.37 0.00 42 I 8.42 4.39 1.86 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 1.43 0.98 0.96 0.00 0.00 43 Q 9.71 3.28 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 G 8.18 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 45 H 8.75 4.87 0.00 3.36 3.03 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.39 4.88 0.00 1.59 1.62 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 47 Y 8.95 4.92 0.00 2.90 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 48 L 8.87 5.54 0.00 1.47 1.66 0.47 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.67 5.18 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 50 P 0.00 4.06 0.00 2.10 2.06 0.00 4.08 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 51 L 8.27 4.81 0.00 1.72 1.63 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.41 4.66 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 1.37 0.00 0.00 53 S 8.67 4.65 0.00 3.88 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 54 P 0.00 3.98 0.00 1.94 1.91 0.00 3.56 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 1.96 2.13 0.00 55 K 6.83 4.48 0.00 0.79 1.20 0.00 1.55 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.39 7.81 56 K 8.42 3.92 0.00 1.90 1.86 0.00 1.63 0.00 0.00 2.04 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.55 7.81 57 W 7.76 4.58 0.00 3.63 3.37 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 58 H 7.35 4.14 0.00 2.93 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.70 4.16 0.00 2.66 2.88 0.00 0.00 6.99 7.89 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 60 N 7.98 4.47 0.00 2.85 2.95 0.00 0.00 6.97 8.93 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 61 V 7.34 3.78 2.35 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 0.84 0.00 0.00 1.33 0.00 0.00 62 K 8.39 4.34 0.00 1.99 1.92 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.44 7.81 63 E 8.84 3.90 0.00 1.90 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 2.28 2.34 0.00 64 S 8.02 4.24 0.00 4.03 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 65 S 7.80 4.18 0.00 3.89 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 66 L 8.39 4.33 0.00 1.67 1.72 0.98 0.91 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 67 S 8.20 4.35 0.00 3.83 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 68 C 7.97 5.39 0.00 2.84 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 69 F 8.94 4.71 0.00 3.18 3.01 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 70 K 8.18 4.37 0.00 1.49 1.62 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.38 7.81 71 L 8.64 4.66 0.00 1.75 1.52 1.40 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 72 H 6.76 4.64 0.00 3.00 2.99 0.00 5.74 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.03 3.96 0.00 2.05 1.86 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 2.33 2.32 0.00 74 N 8.87 4.43 0.00 2.84 2.89 0.00 0.00 7.02 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 75 G 9.17 4.02 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 0.00 0.00 0.00 76 V 7.35 4.33 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 1.03 0.00 0.00 0.94 0.00 0.00 77 P 0.00 3.75 0.00 1.97 1.92 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 78 E 7.97 4.00 0.00 2.03 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 2.24 2.21 0.00 79 N 7.84 4.60 0.00 2.79 2.83 0.00 0.00 7.05 6.23 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 80 Q 7.69 4.24 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 7.27 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 81 L 8.15 4.59 0.00 1.46 1.58 0.93 0.90 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 82 G 8.44 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.21 5.27 0.00 1.84 1.65 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.97 4.50 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.98 1.01 0.00 0.00 85 N 9.38 5.25 0.00 2.93 3.10 0.00 0.00 6.58 6.47 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 86 L 8.40 4.23 0.00 1.69 1.75 0.96 1.00 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 87 K 8.35 3.73 0.00 1.41 1.83 0.00 1.07 0.00 0.00 1.39 0.00 0.00 2.48 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.06 0.21 7.81 88 F 7.55 5.38 0.00 3.10 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 *90 I 8.17 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1.65 7.81 117 Q 8.11 4.08 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 118 L 8.59 3.95 0.00 2.17 2.04 1.04 0.43 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 0.00 119 Q 8.23 4.00 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 120 F 7.95 4.32 0.00 3.02 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 0.00 121 I 8.34 3.74 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 0.78 0.00 0.00 122 R 8.70 3.82 0.00 1.86 2.06 0.00 3.07 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 123 A 7.78 4.50 1.23 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 0.00 0.00 0.00 124 N 7.48 4.80 0.00 2.42 2.45 0.00 0.00 6.94 6.90 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 0.00 125 S 7.65 3.87 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.79 3.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 135 L 8.24 3.94 0.00 1.80 1.82 0.96 0.90 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 0.00 136 R 7.84 3.82 0.00 1.29 1.83 0.00 2.53 0.00 0.00 2.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.00 137 N 7.98 4.38 0.00 3.02 2.88 0.00 0.00 7.13 6.61 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 0.00 138 L 8.06 3.93 0.00 1.88 1.73 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.17 3.60 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 0.97 0.00 0.00 1.05 0.00 0.00 140 L 8.54 4.05 0.00 1.81 1.76 0.96 0.30 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 0.00 141 Q 8.43 4.20 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.20 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 142 G 7.74 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 0.00 0.00 0.00 143 K 7.67 4.41 0.00 1.77 1.82 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 *145 Q 7.90 3.93 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 146 G 8.70 3.76 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 0.00 0.00 0.00 147 T 6.68 4.27 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 1.07 0.00 0.00 148 C 8.13 4.46 0.00 3.06 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 0.00 149 N 9.38 4.48 0.00 2.68 2.70 0.00 0.00 7.47 8.37 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 0.00 150 F 7.62 4.74 0.00 3.13 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 0.00 151 S 8.31 4.23 0.00 3.95 3.92 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 0.00 152 L 8.07 3.95 0.00 1.89 1.79 1.05 0.60 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 0.00 153 L 8.75 3.91 0.00 1.97 1.68 1.07 0.86 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 0.00 154 E 8.81 4.08 0.00 2.17 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 2.06 2.54 0.00 155 E 7.81 4.08 0.00 1.93 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 0.00 2.30 2.33 0.00 156 K 7.95 4.08 0.00 1.00 0.75 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.66 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 0.25 7.81 157 Y 8.03 4.33 0.00 3.22 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 0.00 158 R 7.06 3.98 0.00 1.60 1.83 0.00 2.92 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.00 159 D 7.66 4.48 0.00 3.00 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 0.00 160 F 8.54 3.29 0.00 3.41 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 0.00 161 G 7.89 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 7.61 4.03 0.00 1.61 1.58 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.