NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4188 8.2629 118.8058 54.3879 33.8926 177.6029 *2 S 3.8205 7.8178 112.4842 62.5268 62.5325 177.8370 3 Q 4.1143 8.6471 121.5293 60.1955 29.5806 179.7697 4 S 4.2581 8.1151 114.2749 61.8388 62.3487 176.1121 5 N 4.4148 8.6962 119.1481 56.1923 38.1524 177.7405 6 R 3.9464 7.8045 119.7988 59.3387 30.1914 178.7128 7 E 3.8602 8.4665 119.3761 58.9643 29.5760 178.6547 8 L 3.7701 7.7915 120.5739 57.9031 42.1325 179.0069 9 V 3.9117 8.1346 118.5156 66.2974 31.4789 178.1271 10 V 3.0214 7.9742 118.1995 65.7007 31.1780 177.4350 11 D 4.1572 8.1259 117.8101 57.2222 41.0827 178.0195 12 F 3.9343 8.2579 121.0607 61.3844 39.4377 177.1197 13 L 4.2218 8.3593 118.6680 57.9582 41.3113 179.7565 14 S 4.4310 8.3321 115.4400 61.5493 62.7460 175.9605 15 Y 3.9406 8.1021 122.3646 60.5658 38.5482 178.0933 16 K 3.6734 7.9969 120.3872 59.3927 32.2588 178.6062 17 L 4.1665 8.1393 119.2021 57.9226 41.6453 179.3220 18 S 4.4087 8.4599 113.2233 61.7723 62.1156 175.8033 19 Q 3.8409 7.9750 120.9682 58.8079 28.6545 177.7630 20 K 4.4557 7.8733 116.5498 55.9174 32.3601 177.3834 21 G 3.7153 8.0727 107.3905 45.5070 0.0000 173.1466 22 Y 4.6689 7.8832 117.0332 55.7880 40.1842 175.3151 23 S 3.9516 8.4200 115.7620 57.7844 62.2123 173.5638 24 W 4.9589 7.0953 121.5585 56.1491 28.7758 177.6124 25 S 4.2177 7.6908 116.6114 61.4491 62.4169 175.9437 26 Q 4.1056 7.1806 113.4033 57.1394 28.7199 176.9931 27 F 4.8764 7.4503 119.4519 57.0399 39.3443 175.8606 *82 P 4.2058 0.0000 0.0000 62.8876 31.8241 176.0823 83 M 3.7896 8.2989 121.6323 58.7986 32.4222 177.0025 84 A 3.8921 8.0986 119.6999 55.3664 18.4584 179.3249 85 A 3.9707 8.1037 119.1144 54.9508 18.3729 180.1592 86 V 3.6080 7.5579 116.4168 66.0807 31.6711 178.0629 87 K 3.6940 8.0500 118.4632 59.6086 31.9332 179.0597 88 Q 3.7697 7.9528 119.2568 59.1049 28.8923 178.0844 89 A 4.0206 8.0563 121.8662 55.0521 18.3955 179.4197 90 L 4.1031 8.3162 119.0763 58.1731 42.1623 179.2950 91 R 3.7216 8.0847 118.2925 59.3105 29.9110 178.9274 92 E 4.0391 8.2035 118.0249 59.3742 29.4764 179.2526 93 A 4.3654 8.5944 121.3601 55.2063 18.4034 179.9738 94 G 4.0176 8.6397 104.3300 48.1411 0.0000 175.7443 95 D 4.5665 8.4227 121.3358 57.0908 40.9823 178.3059 96 E 4.0289 8.5139 119.8053 59.3761 29.6842 178.4593 97 F 4.4528 8.6095 120.4667 61.8331 39.3112 177.0669 98 E 4.0633 8.5717 116.1861 58.8018 29.2659 178.8562 99 L 4.1455 7.8533 120.2928 57.5925 42.3379 178.1749 100 R 4.4066 7.5845 114.1713 55.5474 31.7693 176.5835 101 Y 4.5658 7.2832 116.1385 55.9074 38.5423 175.0848 102 R 4.0426 7.7440 121.5850 57.0570 31.3830 176.9158 103 R 3.7082 8.8478 117.1353 56.7992 28.1852 178.3648 104 A 3.7682 7.3612 120.0241 55.4482 18.3026 181.3603 105 F 5.0213 7.8630 115.6199 57.9306 40.5266 179.3100 *106 S 4.1525 7.7487 120.2929 64.0712 62.1805 177.4856 107 D 4.5542 8.2314 122.1518 57.3735 40.5332 178.5430 108 L 3.9592 8.0279 118.5032 58.5465 41.1651 179.6399 109 T 3.9071 8.2618 109.2189 65.1721 68.2987 176.1576 110 S 4.5210 7.9445 114.9017 61.2624 62.5502 175.9301 111 Q 4.1684 8.5611 119.4927 57.6090 28.4465 177.3146 112 L 4.2201 7.5355 120.6394 55.9755 44.4480 176.3009 113 H 4.0577 9.1932 109.4198 56.4842 27.3598 173.9539 114 I 3.9779 7.4837 125.1772 62.4824 38.2886 175.5844 115 T 4.7769 8.8443 113.2122 59.3975 71.8969 173.0079 116 P 4.3636 0.0000 0.0000 64.4668 31.2751 177.6469 117 G 3.9844 7.6690 105.7001 45.7149 0.0000 174.5285 118 T 3.9728 7.8506 117.5051 63.7489 69.1756 173.6911 119 A 4.8076 8.3098 128.0325 50.6876 21.3104 177.0642 120 Y 2.5855 8.5979 121.0839 60.6118 38.4842 178.8071 121 Q 3.8086 8.0811 117.6816 59.7247 28.3886 179.1026 122 S 3.9877 7.8702 116.7791 60.9320 62.7262 176.4080 123 F 3.9288 7.4190 122.8906 61.1291 39.2169 176.3913 124 E 3.7297 7.9790 119.1849 59.3729 29.0948 178.5016 125 Q 3.8689 7.7715 118.1752 59.1647 29.3802 178.3669 126 V 3.5963 7.3710 118.5621 66.0586 31.6345 178.1811 127 V 3.2909 7.4952 118.2225 65.9029 31.1500 177.4810 128 N 4.6122 8.1566 117.5489 55.6733 38.1240 176.9644 129 E 3.9521 8.0690 120.0387 59.4004 29.2915 179.2943 130 L 3.8339 7.6663 117.8680 56.3514 41.6800 177.7846 131 F 5.0612 7.6377 117.6881 56.9218 39.6137 177.8567 132 R 3.9084 7.6257 122.8223 59.1442 29.9021 177.6370 133 D 4.7098 8.1284 115.0863 53.8072 41.1854 176.9594 134 G 3.8112 8.0877 107.0842 44.8800 0.0000 173.5778 135 V 3.9007 7.3341 117.7181 61.9651 32.5480 174.8571 136 N 3.3613 7.2924 121.0598 49.9407 41.0406 175.5665 137 W 4.6952 8.5280 120.8458 60.2051 29.2380 178.9434 138 G 3.8856 8.5383 105.0794 48.0843 0.0000 175.7707 139 R 3.8815 9.0020 120.5919 58.8412 30.0354 179.1929 140 I 3.9933 7.8411 119.9715 64.3908 37.0580 178.5707 141 V 3.6867 8.2650 119.0643 65.9348 31.3643 177.9318 142 A 3.2266 7.8232 120.5219 54.7669 18.1871 179.2558 143 F 3.8698 8.2230 119.2100 61.4694 39.4525 177.4608 144 F 3.2610 8.1530 117.2116 60.3587 38.4997 177.8643 145 S 4.5275 8.1447 114.9627 61.5081 62.5765 176.4935 146 L 3.0983 7.8660 123.4874 57.7639 41.6337 179.2961 147 G 3.5841 7.5941 105.6668 47.6752 0.0000 175.8529 148 G 3.8174 8.3614 107.8980 47.6405 0.0000 175.6858 149 A 4.1312 8.3401 123.5337 54.9272 18.3844 179.7661 150 L 3.9590 8.2233 117.7541 58.0006 41.5899 179.5932 151 C 4.0692 8.2995 116.8528 62.6672 28.0144 176.1926 152 V 3.0622 7.7437 119.7763 65.8854 31.2420 177.5661 153 E 3.8779 8.3295 119.1554 59.4025 29.3281 178.9979 154 S 4.0634 8.0454 115.1304 61.6186 62.9262 176.8420 155 V 3.4674 7.7378 120.9799 66.0975 30.9961 177.8252 156 D 4.5148 8.0825 117.6716 56.4819 40.6206 177.7883 157 K 4.3518 7.4624 116.6444 54.9876 32.8313 176.1229 158 E 3.8750 8.0949 117.3617 58.2235 27.6234 174.4268 159 M 4.8698 8.1019 113.3082 53.9307 33.3985 177.9975 160 Q 3.8940 8.0658 118.7608 58.9660 28.2693 177.9353 161 V 3.5430 7.6771 120.8392 64.5234 31.3069 177.8089 162 L 3.9071 8.0633 119.4009 56.4685 41.4027 179.1746 163 V 3.4126 7.4665 119.3461 66.0893 31.4511 178.1898 164 S 4.1990 7.6433 113.2131 61.1776 62.9265 176.2102 165 R 3.4943 7.0289 119.2568 59.1486 29.6705 178.5464 166 I 3.2203 7.9136 119.7054 63.9948 36.9899 178.2842 167 A 4.0298 7.9914 121.5521 55.0374 18.2077 179.6054 168 A 3.9774 7.9028 119.2462 55.0833 18.3986 179.8338 169 W 4.4688 8.1424 117.5199 60.3773 29.0900 178.6563 170 M 4.5895 8.4784 118.4849 58.5796 31.3316 178.7182 171 A 4.2292 8.2786 120.9691 55.4313 18.5397 179.9059 172 T 3.8235 8.3214 114.3764 66.9144 68.1522 176.3638 173 Y 4.0544 8.7900 121.8553 60.5245 38.8247 177.6659 174 L 3.8785 8.6976 121.6386 58.5002 42.0697 178.7983 175 N 4.3741 8.2598 115.0539 56.0293 38.4708 176.7329 176 D 4.2978 7.9252 118.6032 57.3401 41.6247 177.4628 177 H 4.3759 7.8100 114.7495 56.9705 29.4431 176.8346 178 L 4.1167 7.3208 119.6366 56.4360 42.3216 178.3167 179 E 3.9403 8.3704 118.9702 59.0170 29.3793 177.4113 180 P 4.1620 0.0000 0.0000 65.5254 31.4744 178.3905 181 W 3.8213 7.9626 126.1731 60.3255 30.6669 177.6890 182 I 3.3050 7.8794 119.8739 64.6740 36.3520 178.4292 183 Q 3.9270 8.2503 117.3819 58.9027 28.5860 178.3195 184 E 3.9817 7.6782 118.8075 57.8870 29.6195 176.8385 185 N 4.5871 7.0496 115.6509 53.1993 38.9307 175.5755 186 G 4.4138 8.0867 106.4628 45.2684 0.0000 175.6678 187 G 3.9285 8.5788 109.6270 44.6615 0.0000 174.3866 188 W 4.3981 8.5554 116.9935 59.3437 28.6883 178.3745 189 D 4.4661 8.2879 119.1514 57.7645 40.3365 178.6216 190 T 3.8488 7.9211 115.7812 66.1932 68.2974 176.6816 191 F 3.2154 7.6980 122.2370 60.9867 39.3407 177.0958 192 V 3.4533 8.2152 118.2025 65.9966 31.0841 177.3750 193 E 3.8017 8.1086 118.0496 59.4106 29.4762 178.4699 194 L 4.0237 7.6039 117.6454 56.5672 41.9277 177.2686 195 Y 4.3409 7.7042 114.1301 57.5651 39.4003 176.0843 196 G 3.6318 8.6718 112.4927 46.5738 0.0000 174.1356 197 N 4.6395 8.5650 115.1639 52.6039 37.4787 173.5402 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 *1 M 8.26 4.42 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.11 0.00 *2 S 7.82 3.82 0.00 3.72 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 3 Q 8.65 4.11 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 4 S 8.12 4.26 0.00 3.89 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 5 N 8.70 4.41 0.00 3.11 3.00 0.00 0.00 7.14 7.53 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 6 R 7.80 3.95 0.00 2.04 1.99 0.00 3.25 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 7 E 8.47 3.86 0.00 1.98 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 0.00 2.22 2.25 0.00 8 L 7.79 3.77 0.00 1.66 1.74 0.46 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.13 3.91 2.32 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 1.07 0.00 0.00 1.16 0.00 0.00 10 V 7.97 3.02 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 0.28 0.00 0.00 0.78 0.00 0.00 11 D 8.13 4.16 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 3.93 0.00 3.03 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 13 L 8.36 4.22 0.00 1.82 2.02 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.33 4.43 0.00 3.95 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 15 Y 8.10 3.94 0.00 2.92 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 16 K 8.00 3.67 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 17 L 8.14 4.17 0.00 2.17 2.10 1.19 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.46 4.41 0.00 3.49 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 19 Q 7.98 3.84 0.00 1.45 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 20 K 7.87 4.46 0.00 2.12 1.97 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.62 7.81 21 G 8.07 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 0.00 0.00 0.00 22 Y 7.88 4.67 0.00 3.13 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 23 S 8.42 3.95 0.00 3.60 3.61 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 0.00 0.00 0.00 0.00 24 W 7.10 4.96 0.00 3.82 3.57 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 25 S 7.69 4.22 0.00 3.90 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 26 Q 7.18 4.11 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 1.62 2.07 0.00 27 F 7.45 4.88 0.00 3.36 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 *82 P 0.00 4.21 0.00 2.22 2.05 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 83 M 8.30 3.79 0.00 2.07 2.06 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 2.60 2.65 0.00 84 A 8.10 3.89 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 85 A 8.10 3.97 1.38 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 0.00 0.00 0.00 86 V 7.56 3.61 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 0.76 0.00 0.00 1.03 0.00 0.00 87 K 8.05 3.69 0.00 1.87 1.88 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.51 7.81 88 Q 7.95 3.77 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 89 A 8.06 4.02 1.38 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 0.00 0.00 0.00 90 L 8.32 4.10 0.00 1.67 1.64 0.43 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.08 3.72 0.00 1.52 0.66 0.00 2.67 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.57 0.00 92 E 8.20 4.04 0.00 2.29 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 0.00 2.37 2.31 0.00 93 A 8.59 4.37 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.64 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 95 D 8.42 4.57 0.00 3.06 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 96 E 8.51 4.03 0.00 2.37 2.39 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 2.47 2.55 0.00 97 F 8.61 4.45 0.00 3.42 3.50 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 98 E 8.57 4.06 0.00 2.18 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 0.00 2.71 2.93 0.00 99 L 7.85 4.15 0.00 2.03 1.80 0.92 0.83 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 0.00 100 R 7.58 4.41 0.00 1.67 1.64 0.00 3.21 0.00 0.00 3.17 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 101 Y 7.28 4.57 0.00 2.10 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 0.00 0.00 0.00 102 R 7.74 4.04 0.00 1.84 1.84 0.00 3.25 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 103 R 8.85 3.71 0.00 1.93 1.96 0.00 3.35 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 104 A 7.36 3.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.86 5.02 0.00 3.21 3.08 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 0.00 0.00 0.00 0.00 *106 S 7.75 4.15 0.00 3.68 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 0.00 107 D 8.23 4.55 0.00 2.78 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 0.00 108 L 8.03 3.96 0.00 1.89 1.76 0.94 0.75 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 0.00 109 T 8.26 3.91 4.44 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 0.00 0.00 0.00 1.35 0.00 0.00 110 S 7.94 4.52 0.00 4.14 4.15 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 0.00 111 Q 8.56 4.17 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 112 L 7.54 4.22 0.00 1.69 1.81 0.91 1.37 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 0.00 113 H 9.19 4.06 0.00 3.38 3.46 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.48 3.98 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.65 1.04 0.00 0.00 115 T 8.84 4.78 4.28 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 1.33 0.00 0.00 116 P 0.00 4.36 0.00 2.06 2.13 0.00 3.67 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 2.01 2.05 0.00 117 G 7.67 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 0.00 118 T 7.85 3.97 4.66 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 1.34 0.00 0.00 119 A 8.31 4.81 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 0.00 120 Y 8.60 2.59 0.00 2.68 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 0.00 121 Q 8.08 3.81 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 122 S 7.87 3.99 0.00 3.92 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 0.00 123 F 7.42 3.93 0.00 2.50 2.42 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 0.00 124 E 7.98 3.73 0.00 1.18 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 2.29 2.44 0.00 125 Q 7.77 3.87 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 126 V 7.37 3.60 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 0.83 0.00 0.00 0.92 0.00 0.00 127 V 7.50 3.29 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 0.25 0.00 0.00 -0.32 0.00 0.00 128 N 8.16 4.61 0.00 3.03 2.88 0.00 0.00 6.79 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 0.00 129 E 8.07 3.95 0.00 2.00 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 0.00 2.37 2.45 0.00 130 L 7.67 3.83 0.00 0.79 0.71 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.64 5.06 0.00 3.13 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 0.00 132 R 7.63 3.91 0.00 1.74 1.99 0.00 3.28 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 133 D 8.13 4.71 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 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 0.00 0.00 0.00 135 V 7.33 3.90 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 0.00 0.00 -0.17 0.00 0.00 0.35 0.00 0.00 136 N 7.29 3.36 0.00 2.87 2.59 0.00 0.00 6.11 8.88 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 0.00 137 W 8.53 4.70 0.00 3.83 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 0.00 138 G 8.54 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 0.00 139 R 9.00 3.88 0.00 2.07 1.95 0.00 3.05 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 140 I 7.84 3.99 2.27 0.00 0.00 0.64 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 0.80 1.31 0.00 0.00 141 V 8.26 3.69 2.29 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 1.15 0.00 0.00 1.04 0.00 0.00 142 A 7.82 3.23 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.22 3.87 0.00 3.16 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 0.00 144 F 8.15 3.26 0.00 2.73 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 0.00 145 S 8.14 4.53 0.00 4.27 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 0.00 146 L 7.87 3.10 0.00 0.27 1.17 0.54 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 0.00 147 G 7.59 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.36 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 0.00 149 A 8.34 4.13 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 0.00 150 L 8.22 3.96 0.00 1.89 1.77 1.11 1.15 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 0.00 151 C 8.30 4.07 0.00 3.17 2.96 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 0.00 0.00 0.00 152 V 7.74 3.06 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 1.08 0.00 0.00 0.96 0.00 0.00 153 E 8.33 3.88 0.00 2.19 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 2.32 2.38 0.00 154 S 8.05 4.06 0.00 3.97 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 0.00 155 V 7.74 3.47 1.69 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 1.01 0.00 0.00 0.81 0.00 0.00 156 D 8.08 4.51 0.00 2.83 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 0.00 157 K 7.46 4.35 0.00 1.74 1.82 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.77 7.81 158 E 8.09 3.88 0.00 2.12 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 2.24 2.40 0.00 159 M 8.10 4.87 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.41 0.00 160 Q 8.07 3.89 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 161 V 7.68 3.54 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 0.80 0.00 0.00 0.84 0.00 0.00 162 L 8.06 3.91 0.00 1.61 1.53 0.88 0.90 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 0.00 163 V 7.47 3.41 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 0.47 0.00 0.00 0.79 0.00 0.00 164 S 7.64 4.20 0.00 4.06 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 0.00 165 R 7.03 3.49 0.00 1.56 1.55 0.00 2.57 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 166 I 7.91 3.22 1.87 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 1.30 0.15 0.87 0.00 0.00 167 A 7.99 4.03 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.90 3.98 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 0.00 169 W 8.14 4.47 0.00 3.07 2.54 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 0.00 170 M 8.48 4.59 0.00 2.07 2.36 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.41 0.00 171 A 8.28 4.23 1.46 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 0.00 172 T 8.32 3.82 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 0.89 0.00 0.00 173 Y 8.79 4.05 0.00 3.69 3.43 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 0.00 174 L 8.70 3.88 0.00 2.19 1.93 1.33 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.26 4.37 0.00 2.80 2.88 0.00 0.00 7.09 8.77 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 0.00 176 D 7.93 4.30 0.00 2.54 2.46 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 0.00 177 H 7.81 4.38 0.00 2.33 2.73 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.32 4.12 0.00 1.65 1.47 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.37 3.94 0.00 2.10 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 2.56 2.60 0.00 180 P 0.00 4.16 0.00 2.10 2.07 0.00 3.39 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 2.17 2.11 0.00 181 W 7.96 3.82 0.00 3.21 3.08 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 0.00 0.00 0.00 0.00 182 I 7.88 3.30 1.86 0.00 0.00 0.58 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 0.65 0.45 0.00 0.00 183 Q 8.25 3.93 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 184 E 7.68 3.98 0.00 1.86 1.75 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 2.14 2.14 0.00 185 N 7.05 4.59 0.00 1.44 2.21 0.00 0.00 7.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 G 8.09 4.41 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 0.00 187 G 8.58 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 0.00 0.00 0.00 188 W 8.56 4.40 0.00 3.49 3.34 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 0.00 189 D 8.29 4.47 0.00 2.75 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 0.00 190 T 7.92 3.85 4.48 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 0.00 0.00 0.00 1.28 0.00 0.00 191 F 7.70 3.22 0.00 2.37 3.33 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 0.00 192 V 8.22 3.45 2.27 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 0.94 0.00 0.00 1.12 0.00 0.00 193 E 8.11 3.80 0.00 2.04 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 0.00 2.27 2.32 0.00 194 L 7.60 4.02 0.00 1.46 1.22 0.87 0.56 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 0.00 195 Y 7.70 4.34 0.00 2.10 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 0.00 0.00 0.00 0.00 196 G 8.67 3.63 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 0.00 0.00 0.00 197 N 8.56 4.64 0.00 2.94 2.73 0.00 0.00 6.50 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.