NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.8807 8.0932 114.6853 58.6176 64.2962 174.9579 *5 T 4.2775 7.8201 117.0567 63.7632 70.2104 176.2388 6 Q 3.9621 8.0676 119.6570 59.0697 28.7312 178.6446 7 S 4.0801 8.3480 114.4323 61.3981 62.3778 176.0244 8 L 3.9986 7.8468 122.5144 58.1124 41.8820 178.8914 9 R 3.9340 8.3101 118.4011 59.0751 29.9118 178.9816 10 E 3.9008 8.0802 117.9600 59.4814 29.3456 179.1260 11 V 3.5984 7.4565 116.8012 66.5075 31.5041 177.8607 12 I 3.8721 7.7268 118.1357 64.1340 37.0181 177.9409 13 K 4.0678 8.2169 120.4496 59.0532 32.2618 179.3360 14 A 4.3957 8.4443 124.0749 51.6855 17.3869 178.8128 *16 T 4.2488 7.9742 114.4036 62.6398 70.8507 175.0271 17 K 4.4662 7.3264 122.5551 53.8455 34.1550 181.9086 18 A 4.2124 7.4495 119.7507 53.6913 18.6696 177.4984 19 R 4.4304 8.3417 117.5308 56.4315 32.1677 176.5610 20 N 4.7830 7.7768 115.3077 51.4884 39.2529 175.0961 21 F 4.1777 8.8940 118.5087 61.5795 39.2217 176.4176 22 E 4.0981 8.6919 117.8319 58.1695 29.1636 179.0215 23 R 3.9560 7.9052 116.9148 59.0136 29.2152 178.6695 24 V 3.7427 7.3375 111.4038 62.5911 31.6220 176.4548 25 L 4.6012 7.5007 118.2738 54.1552 42.0981 178.3277 26 G 3.7650 7.8973 109.7146 48.0185 0.0000 174.9373 27 K 4.2988 7.8500 117.2392 56.7352 32.8424 177.0885 28 I 4.1446 7.6598 113.2835 60.8207 38.3245 175.3042 29 T 4.7234 8.6612 112.2845 59.7209 72.1709 172.4578 30 L 4.4015 8.4617 125.5976 55.1576 42.4006 176.1229 31 V 4.1747 8.8397 127.2562 64.7021 32.4773 175.9131 32 S 4.7449 7.4787 111.3965 57.5074 65.7558 173.9209 33 A 5.1819 8.5649 121.9488 50.4137 21.7911 175.1822 34 A 4.5617 9.0978 123.5708 49.6783 22.7126 173.8083 35 P 4.5298 0.0000 0.0000 64.2974 31.6309 177.2051 36 G 3.9152 9.4302 110.8946 45.6910 0.0000 172.4044 37 K 5.5181 8.2569 121.5834 54.2484 35.6928 175.0125 38 V 4.8498 8.4371 126.7842 61.0827 35.1127 173.8282 39 I 5.0308 8.8449 128.2224 59.8119 40.0821 174.4769 40 C 5.3210 9.1672 123.5540 58.2085 32.9588 172.5481 41 E 5.1592 8.7806 118.6926 53.5959 34.0656 174.1992 *43 K 4.4053 8.4604 120.2017 56.5718 33.3784 175.6614 44 V 3.9725 8.7718 128.1810 62.9872 32.5654 175.1286 45 E 4.8933 8.7702 126.6582 53.8543 32.8374 176.3551 46 E 3.9371 8.7653 120.0982 59.5626 29.4498 178.4678 47 E 4.0817 8.0538 114.3248 58.4328 29.7533 176.7858 48 H 4.7902 8.4739 116.9807 55.9707 29.7739 174.6964 49 T 4.9840 7.5556 110.0526 60.0694 70.3871 174.8750 50 N 4.8769 8.5685 120.0908 52.0238 39.7575 175.3196 51 A 3.9963 8.6132 119.7431 55.5115 18.5845 178.6056 52 I 4.0700 7.9456 107.2378 60.9135 37.5239 176.6133 53 G 3.9068 8.3412 109.1806 45.7892 0.0000 172.9623 54 T 5.0004 7.6506 108.7700 58.6692 72.5496 172.8801 55 L 4.2899 8.6134 124.5745 56.1212 42.6800 176.3993 56 H 4.1415 9.3612 127.2341 56.0230 30.4796 176.3986 57 G 3.8651 8.9202 112.5090 48.0357 0.0000 175.8217 58 G 3.8176 8.4170 107.2763 47.3778 0.0000 175.5654 59 L 4.1096 7.9347 122.2432 58.1205 42.1847 178.7838 60 T 3.8667 8.1789 115.5668 66.7448 68.5008 176.2673 61 A 4.0176 8.1737 122.4924 55.6489 18.4058 179.8750 62 T 3.9745 8.1189 114.1772 66.6564 68.5030 177.0056 63 L 3.9978 8.6441 121.3877 57.6368 41.6410 179.6868 64 V 3.5188 7.9671 118.2230 65.9954 31.2925 177.2245 65 D 4.1831 7.7748 116.1544 57.6444 41.4257 177.9929 66 N 4.5089 8.2136 116.4324 56.5808 38.4727 177.7820 67 I 3.8024 7.6879 119.6184 64.1398 37.4860 178.1781 68 S 4.3136 8.1881 114.4276 61.2867 62.3188 176.8882 69 T 4.0365 7.6668 117.5318 63.5046 67.8043 176.1954 *71 A 4.2606 8.1779 126.0602 52.1866 20.4265 179.7726 72 L 4.0457 7.7347 116.1621 57.9589 42.3161 178.3006 73 L 4.1536 7.6710 117.6457 57.4694 42.1625 177.0417 74 C 4.5282 7.7104 117.2668 59.9250 28.0616 172.6474 75 T 5.0410 7.2607 114.8977 61.4489 72.7982 175.5201 76 E 4.0519 8.9311 122.2496 59.8192 28.7410 179.1201 77 R 3.9204 8.1621 118.5366 57.3511 30.3555 176.9933 78 G 3.7565 7.4704 102.9029 46.2377 0.0000 172.7499 79 A 4.4905 7.2339 119.9169 49.6642 19.8841 176.8010 80 P 4.1856 0.0000 0.0000 64.4624 31.6776 177.9244 81 G 3.9773 8.0242 103.9908 44.6810 0.0000 172.0990 82 V 4.4863 8.1713 118.5413 60.4657 34.3813 175.1251 83 S 4.3785 8.8009 122.8935 59.5658 62.9032 173.3458 84 V 4.2498 8.5913 122.0629 64.3316 33.5635 174.5593 85 D 4.8506 7.5899 117.3225 52.7399 46.1960 173.3364 *87 N 4.7726 8.5227 115.2367 53.2382 38.7799 173.5446 88 I 4.9897 8.3428 122.4033 59.6657 40.9236 174.6220 89 T 4.5680 8.4659 122.9057 62.0139 70.8610 173.1165 90 Y 4.9008 8.6280 123.6852 56.2436 40.6714 175.2666 *92 S 4.3198 8.3180 115.1779 57.5803 64.6784 171.6328 93 P 4.5251 0.0000 0.0000 62.6983 32.3946 175.3615 94 A 4.9663 8.6560 125.8898 50.9414 21.3025 176.7199 95 K 4.6636 9.6685 126.7308 53.6198 34.0352 172.7500 96 L 4.0368 7.6031 122.4425 57.5759 42.2739 177.8169 97 G 4.0245 9.3024 114.4961 45.2290 0.0000 173.4567 98 E 4.1561 8.3021 121.8064 56.3053 31.1503 175.2053 99 D 5.1619 8.6811 126.0192 53.0867 42.6713 175.4064 100 I 4.9934 8.3635 116.3473 59.0080 41.4665 174.2157 101 V 4.4982 8.7792 123.8255 61.2624 34.1161 174.2786 102 I 4.8456 9.0428 129.1162 60.1680 39.3478 174.4529 103 T 4.9879 8.9285 124.8425 61.5536 71.0404 173.6387 104 A 5.2522 8.7921 127.5621 50.3970 22.3493 174.5190 105 H 5.3388 9.6217 118.8144 53.8664 32.8588 173.1250 106 V 4.2376 8.8086 123.5783 62.3685 31.1601 175.7887 107 L 4.2952 9.2756 129.8554 57.5206 42.3917 177.4122 108 K 4.5474 7.9444 116.3869 56.2116 35.5587 174.2098 109 Q 5.0174 8.8589 122.4016 55.0213 31.7151 174.2862 110 G 4.3896 9.0038 116.3165 44.9404 0.0000 173.6788 111 K 4.1653 8.9340 120.6453 57.3644 31.9240 174.0777 112 T 4.6207 7.8578 106.9933 60.5829 71.2270 173.4650 113 L 5.1089 7.8905 122.1718 52.7336 45.2820 175.1320 114 A 4.9949 8.6766 124.4395 49.9927 22.7079 174.8668 115 F 5.4323 9.4741 119.5726 55.9120 42.6996 174.4859 116 T 5.2404 9.4734 112.9657 59.9409 72.8702 172.5163 117 S 5.0827 9.2649 115.9606 56.6091 66.2814 172.7575 118 V 4.8312 9.0178 126.0336 61.4129 34.7539 173.4046 119 D 5.3564 9.3694 128.3125 52.6355 43.1695 175.1815 120 L 5.2338 8.7754 124.2423 53.5499 43.7528 175.8434 121 T 4.8039 8.6690 112.8281 59.6233 73.1044 172.5822 122 N 4.6437 9.5622 123.7006 53.5392 39.3406 175.2917 123 K 3.8920 8.9120 128.6802 60.0032 32.2829 178.0834 124 A 4.1055 8.6611 122.1110 55.2680 18.2989 178.4229 125 T 4.2185 8.1438 102.1490 60.8623 69.5526 175.5765 126 G 3.8789 8.6226 110.1923 45.7116 0.0000 173.8261 127 K 4.1204 7.6706 122.1303 55.9096 33.3279 175.8795 128 L 4.4331 8.5557 129.7624 55.8332 42.1631 176.0039 129 I 4.4410 9.6965 127.9611 62.3494 38.2969 175.6765 130 A 4.7117 7.4963 120.8050 51.0281 22.9507 174.5938 131 Q 4.7269 8.9472 120.0560 54.4172 32.6474 174.0632 132 G 4.4946 9.3631 113.4140 44.3899 0.0000 171.7273 133 R 5.1989 8.7038 121.6254 54.3039 32.8222 174.8243 134 H 5.2206 9.3674 123.6304 54.6675 33.1813 172.0505 135 T 4.9083 8.8766 122.3090 61.7184 71.0754 173.4922 136 K 4.9507 8.8222 125.3810 54.6992 36.5203 174.5661 137 H 5.0657 9.1801 123.8795 55.0196 31.5773 175.0441 138 L 4.3086 8.9601 125.7977 54.7841 41.3801 176.3288 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 S 8.09 4.88 0.00 3.87 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 *5 T 7.82 4.28 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 6 Q 8.07 3.96 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 7 S 8.35 4.08 0.00 3.86 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 8 L 7.85 4.00 0.00 1.79 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.31 3.93 0.00 2.06 1.96 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 10 E 8.08 3.90 0.00 2.24 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 2.33 2.42 0.00 11 V 7.46 3.60 2.24 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 0.83 0.00 0.00 0.99 0.00 0.00 12 I 7.73 3.87 2.01 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 1.40 0.81 0.90 0.00 0.00 13 K 8.22 4.07 0.00 1.91 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 A 8.44 4.40 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 *16 T 7.97 4.25 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 1.27 0.00 0.00 17 K 7.33 4.47 0.00 1.80 1.70 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 18 A 7.45 4.21 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 19 R 8.34 4.43 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 20 N 7.78 4.78 0.00 3.02 3.02 0.00 0.00 5.90 8.12 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 21 F 8.89 4.18 0.00 3.14 3.17 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 0.00 0.00 0.00 22 E 8.69 4.10 0.00 2.20 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 2.37 2.38 0.00 23 R 7.91 3.96 0.00 2.07 2.36 0.00 2.74 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 24 V 7.34 3.74 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 0.16 0.00 0.00 0.43 0.00 0.00 25 L 7.50 4.60 0.00 1.66 1.59 0.90 0.67 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 26 G 7.90 3.77 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 0.00 0.00 0.00 27 K 7.85 4.30 0.00 1.82 1.90 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 28 I 7.66 4.14 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 1.52 0.51 0.94 0.00 0.00 29 T 8.66 4.72 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 30 L 8.46 4.40 0.00 1.65 1.60 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.84 4.17 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 0.83 0.00 0.00 0.95 0.00 0.00 32 S 7.48 4.74 0.00 3.87 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 33 A 8.56 5.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.10 4.56 1.22 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 0.00 0.00 35 P 0.00 4.53 0.00 2.06 2.05 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 36 G 9.43 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 0.00 0.00 0.00 37 K 8.26 5.52 0.00 1.79 1.61 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 0.99 7.81 38 V 8.44 4.85 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 0.95 0.00 0.00 0.95 0.00 0.00 39 I 8.84 5.03 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.90 0.00 0.00 40 C 9.17 5.32 0.00 2.80 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 41 E 8.78 5.16 0.00 1.84 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 0.00 2.21 2.06 0.00 *43 K 8.46 4.41 0.00 1.91 1.78 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.46 7.81 44 V 8.77 3.97 2.26 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 0.73 0.00 0.00 0.95 0.00 0.00 45 E 8.77 4.89 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.14 0.00 46 E 8.77 3.94 0.00 1.98 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 2.37 2.31 0.00 47 E 8.05 4.08 0.00 2.05 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 2.07 1.92 0.00 48 H 8.47 4.79 0.00 3.34 3.33 0.00 5.62 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 49 T 7.56 4.98 4.33 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 1.33 0.00 0.00 50 N 8.57 4.88 0.00 2.93 2.96 0.00 0.00 7.21 8.16 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 51 A 8.61 4.00 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 0.00 0.00 0.00 0.00 0.00 52 I 7.95 4.07 1.86 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 1.33 0.67 0.90 0.00 0.00 53 G 8.34 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 54 T 7.65 5.00 4.34 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 1.21 0.00 0.00 55 L 8.61 4.29 0.00 1.66 1.70 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.36 4.14 0.00 3.35 3.20 0.00 5.85 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 57 G 8.92 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 0.00 0.00 0.00 58 G 8.42 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 59 L 7.93 4.11 0.00 1.82 1.91 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.18 3.87 4.67 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 1.21 0.00 0.00 61 A 8.17 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.12 3.97 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 1.33 0.00 0.00 63 L 8.64 4.00 0.00 1.87 1.71 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.97 3.52 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 0.92 0.00 0.00 0.93 0.00 0.00 65 D 7.77 4.18 0.00 2.79 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 66 N 8.21 4.51 0.00 2.94 2.85 0.00 0.00 7.14 6.29 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 67 I 7.69 3.80 1.97 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 1.40 0.54 0.90 0.00 0.00 68 S 8.19 4.31 0.00 3.94 4.17 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 0.00 0.00 0.00 69 T 7.67 4.04 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *71 A 8.18 4.26 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 72 L 7.73 4.05 0.00 1.90 1.77 0.91 0.97 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 73 L 7.67 4.15 0.00 1.71 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.71 4.53 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.26 5.04 4.49 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 0.00 0.00 0.00 1.36 0.00 0.00 76 E 8.93 4.05 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 77 R 8.16 3.92 0.00 1.83 1.91 0.00 3.31 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 78 G 7.47 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 79 A 7.23 4.49 1.21 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 0.00 0.00 80 P 0.00 4.19 0.00 2.18 2.19 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 81 G 8.02 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 0.00 0.00 0.00 82 V 8.17 4.49 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 0.94 0.00 0.00 0.93 0.00 0.00 83 S 8.80 4.38 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.59 4.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 85 D 7.59 4.85 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 N 8.52 4.77 0.00 2.87 3.02 0.00 0.00 5.72 7.85 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 88 I 8.34 4.99 1.71 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 1.22 0.62 0.13 0.00 0.00 89 T 8.47 4.57 4.17 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 0.00 0.00 1.21 0.00 0.00 90 Y 8.63 4.90 0.00 2.82 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 *92 S 8.32 4.32 0.00 3.94 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 93 P 0.00 4.53 0.00 1.97 2.03 0.00 3.64 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 2.03 2.10 0.00 94 A 8.66 4.97 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 95 K 9.67 4.66 0.00 1.41 1.69 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.25 7.81 96 L 7.60 4.04 0.00 1.49 1.64 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 97 G 9.30 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 98 E 8.30 4.16 0.00 2.19 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 2.31 2.30 0.00 99 D 8.68 5.16 0.00 2.64 2.57 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 0.00 0.00 0.00 0.00 100 I 8.36 4.99 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 1.22 1.24 0.92 0.00 0.00 101 V 8.78 4.50 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 0.96 0.00 0.00 0.93 0.00 0.00 102 I 9.04 4.85 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 1.21 0.52 0.90 0.00 0.00 103 T 8.93 4.99 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 1.15 0.00 0.00 104 A 8.79 5.25 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.62 5.34 0.00 3.09 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.81 4.24 2.11 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 0.78 0.00 0.00 0.98 0.00 0.00 107 L 9.28 4.30 0.00 1.74 1.73 0.95 0.86 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 0.00 108 K 7.94 4.55 0.00 1.86 1.65 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.74 7.81 109 Q 8.86 5.02 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 110 G 9.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.93 4.17 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 112 T 7.86 4.62 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 113 L 7.89 5.11 0.00 1.58 1.13 0.94 0.89 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 0.00 114 A 8.68 4.99 1.05 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 0.00 0.00 115 F 9.47 5.43 0.00 2.95 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 0.00 116 T 9.47 5.24 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 1.24 0.00 0.00 117 S 9.26 5.08 0.00 3.87 3.73 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 0.00 118 V 9.02 4.83 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 0.92 0.00 0.00 0.94 0.00 0.00 119 D 9.37 5.36 0.00 2.66 2.55 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 0.00 120 L 8.78 5.23 0.00 1.62 1.58 0.94 0.67 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 0.00 121 T 8.67 4.80 4.38 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 1.21 0.00 0.00 122 N 9.56 4.64 0.00 2.74 2.75 0.00 0.00 7.02 6.63 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 0.00 123 K 8.91 3.89 0.00 1.81 1.91 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 A 8.66 4.11 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 0.00 125 T 8.14 4.22 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 1.22 0.00 0.00 126 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 0.00 127 K 7.67 4.12 0.00 1.90 1.70 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.40 7.81 128 L 8.56 4.43 0.00 1.68 1.57 1.00 1.03 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 0.00 129 I 9.70 4.44 2.01 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 1.13 1.75 1.03 0.00 0.00 130 A 7.50 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.95 4.73 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 132 G 9.36 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.70 5.20 0.00 1.87 1.88 0.00 3.28 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 134 H 9.37 5.22 0.00 3.18 3.13 0.00 5.73 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 0.00 135 T 8.88 4.91 4.25 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 1.02 0.00 0.00 136 K 8.82 4.95 0.00 1.43 1.60 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.96 1.05 7.81 137 H 9.18 5.07 0.00 3.15 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.96 4.31 0.00 1.30 1.44 0.85 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 * Residues marked with a * may have inaccurate shift predictions.