NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3867 8.2876 116.7526 55.7835 32.5533 177.5937 3 N 4.4296 8.0831 115.7588 55.6413 37.6292 174.6132 4 E 4.0662 8.2839 120.4505 60.4702 30.2993 183.4393 5 L 4.1401 7.7888 119.6751 58.3542 42.3358 178.6401 6 E 3.9470 8.0580 118.3803 59.6148 29.5087 179.0907 7 D 4.3930 8.0487 118.7725 57.4496 40.9608 179.1319 8 K 4.0505 8.0950 118.9149 59.2615 31.9972 179.6323 9 I 3.6860 7.7732 120.2262 64.4345 37.0964 178.4174 10 L 3.9790 8.0293 119.5733 57.6904 41.2766 179.4809 11 A 4.0338 7.9609 120.5149 55.2675 18.1090 179.7586 12 I 3.7767 7.4892 117.0420 64.5629 37.1440 178.4206 13 L 4.1485 8.0176 119.8630 57.8094 41.2183 179.4067 14 E 4.1471 8.6142 117.8681 58.4990 29.4210 178.2998 15 Q 4.5418 7.4605 115.6851 54.8152 29.6191 174.9751 16 H 4.9031 7.8233 119.3930 54.9484 32.6178 173.8724 17 Q 4.8750 8.8634 120.0458 54.4652 30.2614 172.3141 18 V 4.8758 7.8957 116.0578 62.1590 34.2163 174.6367 19 G 4.4643 8.8627 112.6358 45.4638 0.0000 170.4630 20 V 4.4251 8.9134 119.8719 60.8524 33.8336 174.2293 21 L 5.1293 9.1835 131.1180 53.6302 44.0266 174.9767 22 T 5.2763 8.7845 117.0285 60.2551 72.0883 173.3763 23 S 4.8352 9.0592 117.5043 57.4937 67.3246 172.4042 24 V 4.9448 8.2841 118.3848 61.3554 34.5292 174.8257 25 Q 4.5251 9.3531 126.7070 55.0199 31.5997 177.1623 26 G 3.9860 8.8541 116.9970 46.7536 0.0000 172.7481 27 D 4.9318 9.3847 119.9233 52.4753 39.8585 175.2221 28 F 4.5431 8.3173 119.8196 55.2200 40.8200 173.3215 29 P 5.0545 0.0000 0.0000 63.0854 32.3678 175.3158 30 H 5.1655 9.5256 117.7626 54.3111 33.0076 172.3963 31 A 5.2824 8.4834 121.7273 50.8369 22.2768 175.5908 32 R 4.6617 8.6221 116.4885 55.2416 33.2056 174.3209 33 Y 4.9141 8.3900 118.1789 57.2566 39.5117 174.9818 *35 T 4.2661 8.1674 116.3610 63.6429 69.6454 173.5348 36 F 5.1488 9.3474 125.3473 55.7437 41.5752 175.1656 37 L 5.0690 9.3757 123.3575 53.6752 44.6713 174.8861 38 H 5.5064 8.6106 114.3513 54.4204 32.1407 172.8965 39 D 4.7157 9.2742 119.9986 52.9788 42.8638 176.0985 40 G 3.8908 8.3137 119.0862 47.1671 0.0000 173.7200 41 L 4.3666 8.5661 123.7126 55.1551 42.2609 176.3463 42 T 4.3405 7.8130 117.4682 63.0434 69.7518 173.8632 43 L 5.2045 8.5724 125.9709 53.3288 45.0410 175.0805 44 Y 5.3201 9.1950 118.9234 56.6792 42.1555 174.4639 45 T 5.0928 9.2337 118.4823 59.7664 70.9765 171.1689 46 P 4.9180 0.0000 0.0000 62.2416 32.4533 175.5490 47 S 4.3871 8.8809 119.4509 57.1118 66.2839 172.0344 *52 P 4.2051 0.0000 0.0000 61.9052 32.0859 176.9161 53 K 4.2764 8.6918 120.1728 58.0425 32.8279 177.2921 54 T 4.5289 7.7376 108.6973 61.3180 69.3381 173.6571 55 E 4.7928 7.9744 119.3875 54.6670 32.7019 174.5777 56 E 4.7061 8.5130 117.3326 54.4806 32.7191 174.8674 57 V 4.3009 8.0147 120.0739 60.5086 33.8784 175.1529 58 R 3.8719 8.6421 129.1484 56.9061 30.1115 176.9446 59 R 4.0220 8.5195 124.7739 56.0341 29.9510 171.8426 60 N 4.9078 8.5252 121.1248 50.3112 40.7911 171.9349 61 P 4.5006 0.0000 0.0000 64.1087 32.9860 175.3853 62 H 4.8802 8.4122 118.9078 56.2341 28.9124 175.1689 63 V 4.7752 8.8449 116.6009 59.4911 36.2203 174.3743 64 C 5.2559 8.8243 122.2745 57.6819 34.4560 172.7009 65 V 4.8398 9.1357 126.3546 61.0158 34.1428 173.9094 66 L 5.3057 8.6392 127.4359 53.1545 44.1427 175.5444 67 I 4.8402 9.0113 124.1553 60.8805 41.0137 176.6227 68 G 3.5461 9.2723 113.5168 45.2332 0.0000 173.3380 69 Y 4.0928 7.8554 120.8217 57.5226 37.5638 174.7315 70 D 4.5467 8.1475 127.0642 55.2078 42.1363 176.9235 71 S 4.4075 6.7926 111.5230 55.9516 65.8749 172.8921 72 P 4.3813 0.0000 0.0000 64.3501 31.2947 176.6838 73 G 4.0956 7.1912 108.1588 45.9475 0.0000 173.7256 74 S 4.6877 7.5128 114.9391 56.0400 65.4338 174.0931 75 A 5.1065 8.8425 127.0866 50.9217 19.4445 176.2291 76 F 5.0886 9.1564 116.8193 55.3667 42.6540 173.0697 77 L 5.0672 9.5240 118.6858 52.9478 44.2001 175.4899 78 E 5.0992 8.8438 124.2702 54.5241 32.0844 174.4463 79 I 4.8805 9.1169 128.1117 59.6046 40.5279 174.1160 80 N 5.2050 9.1335 125.4813 51.8872 40.8649 174.6142 81 G 4.0071 8.6167 110.0770 45.7620 0.0000 170.6237 82 L 5.3324 8.7084 119.8715 52.9272 44.1349 175.9209 83 A 5.3212 8.7854 126.3883 50.8488 21.0831 175.9078 84 S 4.5941 8.8167 114.2112 57.2637 67.3579 172.7672 85 L 4.7601 8.2894 120.2830 53.7943 42.4738 176.2924 86 E 4.3033 9.1533 126.4260 55.9382 29.5067 176.0246 87 E 4.3469 8.8773 126.1433 57.2406 31.0904 176.5512 88 D 4.3809 8.5264 119.6264 54.4469 42.0712 176.7405 89 E 4.0486 8.8270 126.9659 59.5718 29.6277 179.4248 90 S 4.1586 8.2880 115.4052 61.5018 62.8471 176.8536 91 I 3.6459 7.8403 122.0783 64.3266 36.9785 178.4227 92 K 4.1134 8.1467 119.3403 59.4952 31.7491 179.0344 93 E 4.1583 8.5832 122.2374 59.8364 29.7123 179.6749 94 R 4.0152 8.0307 120.8156 61.1695 29.4069 181.5780 95 I 4.0983 7.9784 119.5800 64.3114 37.2274 178.1637 96 W 4.1476 8.7685 131.7790 61.2354 30.3157 178.4238 97 E 4.4026 8.8290 119.3792 60.9063 29.1561 180.3218 98 N 4.8963 7.4952 115.6913 56.2905 38.7293 181.7599 99 I 4.3895 8.2797 115.9318 61.7333 39.5884 176.9471 100 S 4.0086 7.5990 119.5025 56.1540 61.8492 178.6164 *101 K 4.1488 7.7684 130.8697 58.2487 32.0908 180.1659 102 D 4.7421 7.6415 114.7860 53.3128 39.8911 177.7323 103 W 5.2561 7.5597 120.0337 56.8931 31.7504 176.0946 *104 F 5.0883 9.1458 119.5434 57.0895 40.4673 176.4402 105 Q 4.3297 8.2752 119.9667 56.0587 28.1848 182.6056 *112 F 4.8162 8.8731 124.4882 59.4612 39.1379 173.1500 113 V 4.3612 7.8158 120.9820 59.2800 34.8051 175.1420 114 V 4.5989 7.8572 122.0109 61.1930 34.7608 174.0199 115 I 4.7251 9.0189 129.1347 60.0841 38.9756 174.4176 116 K 4.6961 9.3016 128.9962 54.8214 34.3011 174.8787 117 I 4.7532 8.5761 128.4014 59.5977 39.9574 174.5463 118 V 4.3255 8.3875 128.2606 60.8481 32.8134 173.4253 119 P 4.8173 0.0000 0.0000 62.6616 31.6397 175.7860 120 E 4.5714 9.2900 122.2812 57.1417 32.0202 176.5099 121 Q 4.5625 7.8143 119.2924 54.3698 32.8987 173.7641 122 I 5.0537 8.3854 125.6877 59.6095 40.5554 174.8285 123 R 4.6398 8.9733 125.7328 54.3231 33.6766 174.7543 124 I 4.5393 8.2294 123.5372 60.2608 38.1779 175.1693 125 L 4.5754 8.7114 127.2917 52.6467 45.3606 176.6008 126 N 4.5803 8.1683 117.4614 53.9388 39.3486 174.0026 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 E 8.29 4.39 0.00 1.91 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 2.21 1.88 0.00 3 N 8.08 4.43 0.00 2.99 3.10 0.00 0.00 6.42 6.77 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 4 E 8.28 4.07 0.00 2.00 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 2.31 1.93 0.00 5 L 7.79 4.14 0.00 1.69 1.67 0.90 0.98 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 6 E 8.06 3.95 0.00 2.19 1.99 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 2.55 2.50 0.00 7 D 8.05 4.39 0.00 2.91 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 8 K 8.09 4.05 0.00 2.02 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.35 7.81 9 I 7.77 3.69 2.00 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 1.49 0.96 0.88 0.00 0.00 10 L 8.03 3.98 0.00 1.71 1.74 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.96 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.49 3.78 2.02 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 1.57 0.76 0.93 0.00 0.00 13 L 8.02 4.15 0.00 1.64 1.38 0.84 0.71 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 14 E 8.61 4.15 0.00 2.06 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 0.00 2.47 2.63 0.00 15 Q 7.46 4.54 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 16 H 7.82 4.90 0.00 3.20 3.23 0.00 5.80 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.86 4.87 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.85 0.00 0.00 0.00 0.00 0.00 2.25 1.87 0.00 18 V 7.90 4.88 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 1.15 0.00 0.00 0.97 0.00 0.00 19 G 8.86 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 20 V 8.91 4.43 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 0.67 0.00 0.00 0.36 0.00 0.00 21 L 9.18 5.13 0.00 2.12 1.64 1.01 0.67 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 22 T 8.78 5.28 4.30 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 1.16 0.00 0.00 23 S 9.06 4.84 0.00 3.87 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 24 V 8.28 4.94 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 0.97 0.00 0.00 0.96 0.00 0.00 25 Q 9.35 4.53 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.29 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 26 G 8.85 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 0.00 0.00 0.00 27 D 9.38 4.93 0.00 2.81 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 28 F 8.32 4.54 0.00 3.27 2.99 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 29 P 0.00 5.05 0.00 2.03 2.00 0.00 3.33 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 30 H 9.53 5.17 0.00 3.03 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.48 5.28 1.12 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 0.00 0.00 32 R 8.62 4.66 0.00 1.92 2.02 0.00 2.79 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 33 Y 8.39 4.91 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 T 8.17 4.27 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 1.26 0.00 0.00 36 F 9.35 5.15 0.00 2.95 2.99 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 37 L 9.38 5.07 0.00 1.77 1.71 1.01 0.91 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 38 H 8.61 5.51 0.00 3.36 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.27 4.72 0.00 2.90 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 40 G 8.31 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 0.00 0.00 0.00 41 L 8.57 4.37 0.00 1.64 1.70 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.81 4.34 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 0.86 0.00 0.00 43 L 8.57 5.20 0.00 1.47 1.60 0.52 0.92 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 44 Y 9.20 5.32 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 9.23 5.09 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 1.24 0.00 0.00 46 P 0.00 4.92 0.00 2.33 2.27 0.00 3.55 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 2.10 2.27 0.00 47 S 8.88 4.39 0.00 3.83 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 *52 P 0.00 4.21 0.00 2.24 1.99 0.00 3.65 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 2.01 2.08 0.00 53 K 8.69 4.28 0.00 1.86 1.92 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 T 7.74 4.53 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 55 E 7.97 4.79 0.00 2.05 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 2.19 2.22 0.00 56 E 8.51 4.71 0.00 2.03 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 2.15 2.26 0.00 57 V 8.01 4.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 58 R 8.64 3.87 0.00 1.81 1.85 0.00 3.30 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 59 R 8.52 4.02 0.00 1.87 1.71 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 60 N 8.53 4.91 0.00 2.64 2.86 0.00 0.00 7.18 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 61 P 0.00 4.50 0.00 2.07 2.21 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 62 H 8.41 4.88 0.00 3.18 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.84 4.78 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 0.85 0.00 0.00 0.95 0.00 0.00 64 C 8.82 5.26 0.00 2.96 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 65 V 9.14 4.84 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 0.45 0.00 0.00 0.80 0.00 0.00 66 L 8.64 5.31 0.00 1.59 1.57 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 I 9.01 4.84 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.93 0.00 0.00 68 G 9.27 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 69 Y 7.86 4.09 0.00 2.23 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 70 D 8.15 4.55 0.00 2.65 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 71 S 6.79 4.41 0.00 3.84 3.81 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 0.00 0.00 0.00 72 P 0.00 4.38 0.00 2.24 2.30 0.00 3.28 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 73 G 7.19 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 0.00 0.00 0.00 74 S 7.51 4.69 0.00 3.80 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 75 A 8.84 5.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.16 5.09 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.52 5.07 0.00 1.58 1.56 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.84 5.10 0.00 2.01 1.72 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 2.18 2.26 0.00 79 I 9.12 4.88 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.83 0.00 0.00 80 N 9.13 5.20 0.00 2.65 2.70 0.00 0.00 6.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.62 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 0.00 0.00 0.00 82 L 8.71 5.33 0.00 1.54 1.52 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.79 5.32 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.82 4.59 0.00 3.85 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 85 L 8.29 4.76 0.00 1.55 1.64 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 86 E 9.15 4.30 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 87 E 8.88 4.35 0.00 2.00 1.99 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 2.41 2.23 0.00 88 D 8.53 4.38 0.00 2.82 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 89 E 8.83 4.05 0.00 2.02 1.98 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 2.40 2.34 0.00 90 S 8.29 4.16 0.00 4.08 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 91 I 7.84 3.65 1.94 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 1.54 0.44 0.48 0.00 0.00 92 K 8.15 4.11 0.00 2.07 2.12 0.00 1.81 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.67 7.81 93 E 8.58 4.16 0.00 2.28 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 0.00 2.30 2.19 0.00 94 R 8.03 4.02 0.00 1.88 1.92 0.00 3.32 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 95 I 7.98 4.10 2.29 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.45 1.17 0.00 0.00 96 W 8.77 4.15 0.00 3.27 3.21 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 0.00 97 E 8.83 4.40 0.00 2.09 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 2.26 2.19 0.00 98 N 7.50 4.90 0.00 2.92 2.74 0.00 0.00 6.96 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.28 4.39 1.79 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.95 0.00 0.00 100 S 7.60 4.01 0.00 3.55 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 K 7.77 4.15 0.00 1.68 1.84 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.00 7.81 102 D 7.64 4.74 0.00 2.69 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 0.00 103 W 7.56 5.26 0.00 3.13 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 *104 F 9.15 5.09 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 0.00 0.00 0.00 105 Q 8.28 4.33 0.00 2.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 *112 F 8.87 4.82 0.00 2.94 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.82 4.36 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 0.65 0.00 0.00 0.95 0.00 0.00 114 V 7.86 4.60 1.98 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 1.18 0.00 0.00 0.44 0.00 0.00 115 I 9.02 4.73 1.92 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 1.11 0.90 0.94 0.00 0.00 116 K 9.30 4.70 0.00 1.88 1.66 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.01 7.81 117 I 8.58 4.75 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.84 0.00 0.00 118 V 8.39 4.33 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 1.02 0.00 0.00 0.88 0.00 0.00 119 P 0.00 4.82 0.00 1.94 1.90 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 120 E 9.29 4.57 0.00 1.86 1.96 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 2.23 2.20 0.00 121 Q 7.81 4.56 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 122 I 8.39 5.05 1.84 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 1.30 0.75 0.86 0.00 0.00 123 R 8.97 4.64 0.00 1.61 1.68 0.00 3.11 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 124 I 8.23 4.54 1.80 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 1.29 0.46 0.84 0.00 0.00 125 L 8.71 4.58 0.00 0.27 1.08 0.79 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.17 4.58 0.00 2.63 2.60 0.00 0.00 6.97 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 * Residues marked with a * may have inaccurate shift predictions.