NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 3.8752 8.3501 109.7324 45.1530 0.0000 173.2330 22 A 4.6542 7.7336 121.0333 49.2040 22.1729 175.2784 23 T 4.4581 9.1345 118.2289 63.7973 70.7483 172.3903 24 R 5.3681 9.3137 124.7282 54.4972 34.2619 174.5374 25 I 5.1900 9.1475 121.2829 59.5091 41.8168 173.5446 26 Q 4.3597 8.5097 130.6889 54.5539 30.6611 174.2703 27 I 5.0503 8.8151 126.1958 59.5037 41.9067 173.8148 28 A 5.3065 8.6536 127.4985 50.1559 21.5554 175.4343 29 L 5.0813 8.8483 121.9897 53.0524 45.7968 175.6494 30 K 4.8580 8.4557 120.8086 55.6655 35.9466 173.3888 31 Y 5.2914 8.8612 127.7075 56.0763 41.8714 173.7606 32 D 4.5152 9.1105 128.0514 52.6510 41.0737 176.3248 33 E 3.9045 8.6728 126.4752 59.0916 30.0524 178.4266 34 K 4.0800 8.1629 116.1619 59.5469 32.0848 177.6389 35 N 4.5708 8.4700 112.6382 52.4239 39.0584 174.9657 36 K 3.9715 8.0822 117.3693 56.3656 30.3598 174.6324 37 Q 5.1123 7.3510 114.3903 54.5425 32.8616 174.0641 38 F 5.7730 9.8693 124.2829 56.8153 41.9619 173.9095 39 A 4.2041 8.9720 128.0030 49.7316 21.5208 175.1252 40 I 3.9933 8.0069 123.4818 59.1915 40.2091 174.5635 41 L 4.5926 8.4457 130.8816 53.2875 43.8224 175.6764 42 I 4.0387 8.7707 129.6940 60.8015 37.4602 176.5960 43 I 4.1218 8.5292 129.6083 62.5805 37.2944 176.1958 44 Q 5.2138 7.5270 117.2142 55.3175 32.6188 172.2543 45 L 5.4014 9.4686 119.8703 53.1383 44.8834 175.7429 46 S 4.9075 9.2818 117.5049 56.8500 66.2578 173.2187 47 N 4.6812 8.8820 122.4953 54.7200 37.1709 175.7688 48 L 4.1357 7.9477 120.0551 57.5450 41.3215 177.4737 49 S 4.3682 8.7386 115.4622 60.6652 62.4402 176.3293 50 A 4.1649 7.9848 123.7321 53.9819 18.0615 178.2917 51 L 4.6392 7.0925 112.2235 55.3269 44.3348 177.4897 52 L 4.4710 7.8503 125.1724 53.6309 40.7665 176.5157 53 Q 4.1620 8.2904 122.9852 58.4263 29.3343 177.2981 54 Q 4.3429 7.8814 116.1978 55.7013 28.7458 176.2667 55 Q 3.8613 7.6662 115.2994 56.1815 29.2787 177.2733 56 D 5.0690 8.0041 131.8427 54.4152 42.2876 175.5239 57 Q 4.7440 7.0654 116.4608 53.6431 32.1352 175.0668 58 K 4.4359 8.4426 117.8704 56.6957 33.3984 176.6627 59 V 5.0185 9.1198 122.5552 61.5182 35.3833 173.8793 60 N 5.4168 9.3262 122.4538 51.8743 41.4589 172.8711 61 I 4.6946 8.2455 121.0169 59.6924 39.6049 174.6585 62 R 4.6989 9.1052 128.4991 55.0611 31.6253 175.0360 63 V 5.0107 8.6589 126.1757 61.0429 34.8561 174.0301 64 A 4.9833 9.0305 128.4103 50.4148 22.7535 175.1976 65 V 4.5941 8.7536 123.1994 61.6100 31.7345 174.7007 66 L 4.7828 8.9028 128.1574 52.4014 43.8796 174.5072 67 P 4.5717 0.0000 0.0000 62.5667 32.4349 176.7084 68 C 4.6661 8.6367 123.9662 54.7664 43.7252 174.1981 69 S 3.9459 8.5176 121.7476 59.4652 63.2507 174.1699 70 E 4.3794 7.8609 121.3444 55.6753 30.1290 175.2973 71 S 4.0472 8.9031 124.4978 61.9764 63.0606 177.3113 72 T 4.0522 7.8931 108.9480 63.7768 68.5240 174.6788 73 T 4.4865 7.7635 110.1982 61.3412 70.5954 172.0951 74 C 5.0844 7.5467 115.3552 54.7146 43.2847 173.1581 75 L 4.9782 7.0200 117.8440 53.6725 44.7268 175.6407 76 F 4.7742 9.4254 121.5508 56.2049 44.1290 173.3352 77 R 5.0020 7.9305 118.4629 55.5677 32.7399 174.7215 78 T 4.9676 8.5041 117.0616 60.5789 70.2792 174.2429 79 R 4.3866 10.0772 122.0245 55.5287 30.8285 175.3881 80 P 4.9158 0.0000 0.0000 62.7963 32.5039 175.9331 81 L 4.8275 9.0194 121.8627 52.8550 46.4248 175.5730 82 D 4.7576 8.7692 122.1686 54.1440 41.4219 176.2287 83 A 4.1638 8.1330 124.5949 53.1004 18.8984 176.6581 84 S 4.5929 8.2484 113.6453 57.3358 65.1676 174.1849 85 D 4.5511 8.9248 124.0414 56.8941 42.2791 175.8630 86 T 5.1142 7.8896 114.3355 61.5379 71.0806 173.5747 87 L 4.6295 9.1837 128.6123 53.1561 45.3467 174.9458 88 V 4.5316 8.3003 126.1002 61.8347 32.2873 174.6542 89 F 4.3504 9.5241 126.8010 57.5888 40.6710 176.6532 90 N 4.1040 8.0278 113.1193 54.3357 36.0330 173.5745 91 E 4.6121 8.0771 116.3860 54.4593 32.0981 176.3735 92 V 4.2226 7.8302 123.2184 59.7243 34.0677 174.9838 93 F 4.7524 8.3889 121.0331 55.3830 42.4293 174.0465 94 W 5.2333 8.8043 121.4050 55.0477 32.4913 175.4031 95 V 4.7126 8.9033 122.0565 61.6624 34.4494 174.3462 96 S 5.2163 9.2328 124.5760 57.6842 63.7893 174.0122 *98 S 4.4425 8.5047 117.7838 58.0918 64.3627 174.2869 99 Y 3.3275 8.5286 120.9658 60.2669 38.3170 175.9897 100 P 4.0535 0.0000 0.0000 65.2992 31.6045 178.2160 101 A 3.9952 7.6341 119.3461 54.9970 18.2863 179.2416 102 L 3.4989 7.4930 118.7526 58.6187 41.8331 178.5706 103 H 3.6410 7.7023 117.0293 58.6525 29.6318 176.0459 104 Q 4.2345 7.3263 116.4392 55.6497 29.2798 175.8144 105 K 4.5147 7.4104 121.5692 56.6507 34.0570 175.8385 106 T 4.7102 9.0207 117.6065 61.7962 72.5795 172.9598 107 L 4.9662 9.3269 129.0634 53.6618 43.9789 174.7909 108 R 4.9136 9.1871 127.6904 54.7563 32.1570 175.0496 109 V 4.9731 8.4905 119.3206 59.7866 35.5636 174.5236 110 D 5.2918 8.8723 123.0981 52.7345 45.8796 174.5295 111 V 4.2861 8.7146 122.8743 60.6693 33.2719 174.3882 112 C 5.6139 9.3602 122.4620 55.2939 45.6765 172.8265 113 T 5.4435 8.8532 114.4234 59.6318 71.1736 172.5078 114 T 5.1991 8.3792 121.4780 61.7631 71.5761 174.1042 115 D 5.0042 8.6992 125.7094 51.3859 40.9804 177.3839 116 R 3.8095 8.4414 117.4775 59.3394 29.9247 178.0965 117 S 4.3742 8.2901 111.7899 58.8767 62.8780 174.4352 118 H 4.1716 8.3601 117.0093 55.8096 26.6734 174.1385 119 L 4.3217 7.8988 122.7703 54.6558 42.9852 175.1720 120 E 5.1946 8.7353 126.9835 55.0039 31.8718 174.6104 121 E 4.6518 8.9976 125.4652 55.1401 33.4981 172.9243 122 C 5.0831 8.8293 124.6020 55.8644 40.9932 173.8848 123 L 3.9814 8.7928 124.1811 55.1249 42.0754 177.1013 124 G 4.0950 7.4999 108.7140 45.8212 0.0000 171.8939 125 G 4.4966 8.0834 104.7172 47.2035 0.0000 171.9859 126 A 5.1386 8.5968 119.9728 50.6288 23.2437 175.7153 127 Q 4.9230 8.6355 117.9160 54.5840 30.5479 174.8163 128 I 4.4222 8.7690 125.9998 59.1424 39.4579 175.2172 129 S 4.4555 8.7625 122.2517 58.1047 63.1955 173.6208 130 L 4.5240 8.1693 124.8544 54.4792 41.7907 178.1654 131 A 3.9309 7.6575 122.2698 54.1247 18.2464 178.5601 132 E 4.4810 7.8797 113.3579 55.9267 30.3752 176.3779 133 V 3.7669 7.5627 120.5023 62.6265 32.2267 175.3844 134 C 4.3309 8.8026 125.4771 59.7563 28.4404 174.7439 135 R 3.9331 8.5243 125.7224 59.1359 29.7494 177.3757 136 S 4.2297 7.8775 110.2874 59.1859 63.2015 174.7701 137 G 4.1033 7.9943 109.5830 44.5529 0.0000 174.1048 138 E 4.0001 7.9900 118.8971 56.8332 29.9822 176.0860 139 R 4.7504 8.4730 123.6015 55.4040 31.5583 175.2415 140 S 4.8522 8.9565 121.1136 56.8797 65.5099 172.9214 141 T 5.0571 8.5380 120.6561 61.8567 70.5411 173.4928 142 R 4.6636 8.8517 124.2699 54.5969 35.3863 173.8798 143 W 5.1726 8.4322 119.6779 55.5051 31.3458 175.5499 144 Y 4.9263 9.2466 120.3723 56.3272 41.7445 174.4753 145 N 5.0595 9.0812 120.7415 53.1359 39.9021 174.5592 146 L 4.7507 8.9125 123.8736 53.4263 42.9779 176.0971 147 L 4.5818 8.7278 124.7611 53.3648 44.0363 177.3739 148 S 4.3245 8.4843 115.1931 58.5161 62.4062 173.8402 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 21 G 8.35 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 22 A 7.73 4.65 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 23 T 9.13 4.46 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 1.33 0.00 0.00 24 R 9.31 5.37 0.00 1.78 2.20 0.00 2.91 0.00 0.00 2.91 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 25 I 9.15 5.19 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.95 1.04 0.00 0.00 26 Q 8.51 4.36 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.54 0.00 0.00 0.00 0.00 0.00 1.74 1.38 0.00 27 I 8.82 5.05 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.88 0.89 0.00 0.00 28 A 8.65 5.31 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 29 L 8.85 5.08 0.00 1.65 1.75 1.05 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.46 4.86 0.00 1.83 1.53 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.61 7.81 31 Y 8.86 5.29 0.00 3.33 3.15 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 0.00 0.00 0.00 0.00 32 D 9.11 4.52 0.00 2.77 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 33 E 8.67 3.90 0.00 2.26 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 2.33 2.45 0.00 34 K 8.16 4.08 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 N 8.47 4.57 0.00 2.64 2.78 0.00 0.00 7.17 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 36 K 8.08 3.97 0.00 2.00 1.98 0.00 1.82 0.00 0.00 2.07 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.53 7.81 37 Q 7.35 5.11 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.69 0.00 38 F 9.87 5.77 0.00 3.34 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 39 A 8.97 4.20 0.06 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 40 I 8.01 3.99 1.52 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.28 0.77 0.00 0.00 41 L 8.45 4.59 0.00 1.47 1.49 0.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.77 4.04 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.72 0.00 0.00 43 I 8.53 4.12 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 0.84 0.00 0.00 44 Q 7.53 5.21 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.08 2.48 0.00 45 L 9.47 5.40 0.00 1.79 1.75 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.28 4.91 0.00 4.00 3.74 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 47 N 8.88 4.68 0.00 2.93 2.94 0.00 0.00 6.80 6.66 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 48 L 7.95 4.14 0.00 1.90 1.85 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.74 4.37 0.00 4.11 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 50 A 7.98 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.09 4.64 0.00 1.64 1.72 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.85 4.47 0.00 1.68 1.59 0.96 1.02 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 53 Q 8.29 4.16 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.55 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 54 Q 7.88 4.34 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 55 Q 7.67 3.86 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.16 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 56 D 8.00 5.07 0.00 2.66 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.07 4.74 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 58 K 8.44 4.44 0.00 1.73 1.81 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.40 7.81 59 V 9.12 5.02 2.23 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 1.28 0.00 0.00 1.05 0.00 0.00 60 N 9.33 5.42 0.00 2.99 2.95 0.00 0.00 6.88 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.25 4.69 1.55 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.18 0.80 0.00 0.00 62 R 9.11 4.70 0.00 1.80 1.74 0.00 2.99 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 63 V 8.66 5.01 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 0.88 0.00 0.00 0.86 0.00 0.00 64 A 9.03 4.98 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.75 4.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.23 0.00 0.00 66 L 8.90 4.78 0.00 1.56 1.52 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.57 0.00 1.90 1.95 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 68 C 8.64 4.67 0.00 3.06 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 69 S 8.52 3.95 0.00 4.00 3.95 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 70 E 7.86 4.38 0.00 2.08 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 2.16 2.22 0.00 71 S 8.90 4.05 0.00 3.85 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 72 T 7.89 4.05 4.21 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 1.18 0.00 0.00 73 T 7.76 4.49 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 1.24 0.00 0.00 74 C 7.55 5.08 0.00 3.10 3.32 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 75 L 7.02 4.98 0.00 1.33 1.37 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.43 4.77 0.00 1.78 1.74 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 77 R 7.93 5.00 0.00 1.73 1.75 0.00 3.26 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 78 T 8.50 4.97 4.62 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 1.18 0.00 0.00 79 R 10.08 4.39 0.00 1.85 1.99 0.00 3.21 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 80 P 0.00 4.92 0.00 1.99 2.03 0.00 3.70 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 2.07 2.18 0.00 81 L 9.02 4.83 0.00 1.42 1.33 0.12 1.27 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 82 D 8.77 4.76 0.00 2.54 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 83 A 8.13 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.59 0.00 3.84 3.68 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 85 D 8.92 4.55 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.89 5.11 4.27 0.00 0.00 0.00 0.00 0.00 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 87 L 9.18 4.63 0.00 1.74 1.54 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.30 4.53 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 0.88 0.00 0.00 0.93 0.00 0.00 89 F 9.52 4.35 0.00 3.03 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 90 N 8.03 4.10 0.00 2.78 2.81 0.00 0.00 6.77 7.66 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 91 E 8.08 4.61 0.00 1.78 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.44 0.00 92 V 7.83 4.22 1.77 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 0.66 0.00 0.00 0.17 0.00 0.00 93 F 8.39 4.75 0.00 2.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 8.80 5.23 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.90 4.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.42 0.00 0.00 96 S 9.23 5.22 0.00 3.90 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 *98 S 8.50 4.44 0.00 4.10 4.11 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 99 Y 8.53 3.33 0.00 2.97 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 0.00 100 P 0.00 4.05 0.00 2.02 2.07 0.00 3.76 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 2.07 2.25 0.00 101 A 7.63 4.00 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 0.00 102 L 7.49 3.50 0.00 1.27 1.18 -0.47 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 103 H 7.70 3.64 0.00 2.15 3.07 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 7.33 4.23 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 105 K 7.41 4.51 0.00 1.61 1.76 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.45 7.81 106 T 9.02 4.71 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 1.18 0.00 0.00 107 L 9.33 4.97 0.00 1.73 1.57 1.05 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.19 4.91 0.00 1.87 1.73 0.00 3.25 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 109 V 8.49 4.97 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 0.60 0.00 0.00 0.89 0.00 0.00 110 D 8.87 5.29 0.00 2.52 2.47 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 0.00 111 V 8.71 4.29 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 0.87 0.00 0.00 0.98 0.00 0.00 112 C 9.36 5.61 0.00 2.83 3.07 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 0.00 113 T 8.85 5.44 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 114 T 8.38 5.20 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 115 D 8.70 5.00 0.00 2.91 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 0.00 116 R 8.44 3.81 0.00 1.81 2.03 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 117 S 8.29 4.37 0.00 4.01 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 0.00 118 H 8.36 4.17 0.00 3.34 3.49 0.00 5.65 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 0.00 119 L 7.90 4.32 0.00 1.79 1.94 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.74 5.19 0.00 2.03 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 2.22 2.46 0.00 121 E 9.00 4.65 0.00 2.04 1.73 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 2.21 2.29 0.00 122 C 8.83 5.08 0.00 2.89 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 0.00 123 L 8.79 3.98 0.00 1.67 1.73 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.50 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 0.00 125 G 8.08 4.50 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 0.00 126 A 8.60 5.14 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 0.00 127 Q 8.64 4.92 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 128 I 8.77 4.42 1.65 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.69 0.76 0.00 0.00 129 S 8.76 4.46 0.00 3.87 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 0.00 130 L 8.17 4.52 0.00 1.63 1.43 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 131 A 7.66 3.93 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 0.00 132 E 7.88 4.48 0.00 2.01 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 2.27 2.30 0.00 133 V 7.56 3.77 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 0.98 0.00 0.00 1.08 0.00 0.00 134 C 8.80 4.33 0.00 3.11 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 0.00 135 R 8.52 3.93 0.00 0.67 1.46 0.00 2.62 0.00 0.00 2.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.00 136 S 7.88 4.23 0.00 4.02 3.95 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 0.00 137 G 7.99 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 0.00 138 E 7.99 4.00 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 139 R 8.47 4.75 0.00 1.83 1.83 0.00 3.13 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 140 S 8.96 4.85 0.00 3.96 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 0.00 141 T 8.54 5.06 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 1.09 0.00 0.00 142 R 8.85 4.66 0.00 1.33 1.38 0.00 3.12 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 143 W 8.43 5.17 0.00 3.03 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 0.00 144 Y 9.25 4.93 0.00 2.92 2.85 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 0.00 145 N 9.08 5.06 0.00 2.68 2.80 0.00 0.00 6.92 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 0.00 146 L 8.91 4.75 0.00 1.53 1.72 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.73 4.58 0.00 1.62 1.58 0.94 0.48 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 0.00 148 S 8.48 4.32 0.00 3.83 3.74 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 * Residues marked with a * may have inaccurate shift predictions.