NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6629 8.4249 118.2231 52.7680 37.9695 173.6343 -4 L 4.6627 8.3384 122.9984 52.8296 44.0667 174.0002 -3 Y 4.7511 8.3568 117.3382 56.2933 41.4066 175.0184 -2 F 5.0863 7.9665 115.4796 55.1558 41.2238 173.5499 -1 Q 4.5101 8.8798 122.4859 54.3111 30.5124 175.3775 0 G 3.9315 8.3786 113.8670 44.1876 0.0000 172.7249 -3 N 4.9411 8.6368 115.7382 51.4933 42.5066 174.3185 -2 D 5.1063 8.0065 115.5796 51.6558 42.7238 174.0499 -1 T 4.5201 8.7098 116.2859 60.4111 70.9124 174.0775 0 I 4.1415 8.0486 124.9670 60.1876 40.1012 174.2249 6 A 4.2628 7.9230 121.1346 55.3643 18.2005 179.7302 7 R 3.8824 7.9401 116.0687 59.3834 30.1715 178.4448 8 Y 3.9888 7.8457 118.8018 60.9234 38.8570 178.1709 9 F 4.3979 8.0458 118.0750 60.4302 39.2251 177.3863 10 D 4.4163 8.6732 118.9572 57.2513 40.6074 178.6703 11 A 3.9677 8.3598 121.6121 54.9790 18.4130 179.1070 12 F 3.8357 8.0437 119.2468 61.8838 39.1773 177.2634 13 N 4.5023 8.3850 113.9885 55.9215 38.4261 176.4496 14 A 4.3446 7.7100 119.3817 51.5790 19.0297 177.5760 15 G 3.6295 7.5998 105.1163 46.4498 0.0000 174.5460 16 D 4.6953 8.0710 122.3685 51.8504 39.8178 176.6236 17 T 4.0749 8.0450 113.9726 64.0687 69.5638 176.3648 18 D 4.4972 8.3694 122.1460 57.3045 40.7310 178.7736 19 G 3.8445 8.0734 104.9245 45.5813 0.0000 175.1779 *21 L 4.4269 8.0347 121.9657 54.3734 43.4975 179.1561 22 A 4.1067 7.9024 120.1267 54.7137 18.5140 177.9517 23 C 4.3396 7.6783 113.1152 60.4927 28.7413 173.2836 24 L 4.9729 7.2449 120.0081 52.5730 43.2431 176.5610 25 S 4.4386 8.4379 116.4693 57.7077 63.9619 175.3684 26 E 3.9620 8.7592 120.9670 58.8831 29.3748 178.2513 27 D 5.0114 7.8473 116.6190 52.5998 39.9728 176.3690 28 V 3.7974 7.4967 119.9034 63.1969 32.3890 174.7052 29 A 4.8947 8.9346 126.9518 50.7113 20.8182 175.3042 30 H 4.8637 9.3438 124.3921 55.9753 31.0002 174.2018 31 H 4.5826 8.9259 125.2438 54.9201 27.5066 175.9136 32 V 3.5117 8.1201 123.7278 65.0788 32.0103 175.3959 33 N 4.5861 7.7796 114.3479 51.8561 40.1828 174.8878 34 E 3.9003 9.0812 118.1792 59.6657 29.3569 178.9246 35 G 3.8288 7.8020 104.1489 46.3559 0.0000 173.7240 36 N 4.8325 8.5466 119.6868 51.8975 40.5454 171.0551 37 I 4.6473 7.9869 122.8093 59.0752 39.6312 174.7583 38 R 4.4675 8.8818 127.7027 54.7889 31.6842 175.6112 39 V 4.7762 8.5408 124.3010 62.2362 33.4628 175.7005 40 G 4.2253 9.4187 113.9452 44.9009 0.0000 174.5710 41 K 4.1897 8.5555 117.8692 58.9700 32.0336 179.7157 42 E 4.0249 8.2045 118.7191 59.4488 29.4605 179.3016 43 K 4.0702 8.1017 118.0139 59.4381 32.0950 179.0878 44 F 4.1446 8.2487 120.4974 61.1895 39.3629 177.0647 45 A 4.1111 8.6472 120.5646 55.2028 18.2157 179.4706 46 A 4.0011 8.1493 119.3279 55.1980 18.2136 179.6401 47 F 4.1438 8.1553 118.3892 61.7142 39.5443 176.8775 48 C 3.8914 8.0907 115.2606 62.5393 28.2944 175.6123 49 A 4.1443 8.0465 122.4625 55.1821 18.0219 179.5719 50 H 4.1000 7.9214 113.2415 57.2653 29.4381 176.7911 *52 S 4.3162 7.9995 115.3793 57.9683 64.0169 174.4177 53 H 4.3564 7.9675 118.8705 58.8638 29.9364 175.8925 54 C 4.3082 7.7604 115.6216 60.7354 28.5007 172.9519 55 Y 5.5557 7.4902 114.4454 56.0773 42.0783 174.7776 56 K 4.6494 9.1008 123.3274 54.8323 34.8339 174.7621 57 E 5.3999 8.8271 125.5288 54.7986 33.9532 174.6599 58 E 5.0569 9.5551 121.2957 54.6793 33.6198 174.6673 59 L 5.3271 9.4695 123.9545 53.4215 43.6532 175.8711 60 T 4.6701 8.6231 112.9407 59.9485 73.4859 169.7836 61 D 4.2479 8.5530 124.9932 54.0998 40.8500 173.1142 *63 V 3.6822 8.0127 121.8232 62.7859 32.9571 173.7246 64 I 5.0012 8.1575 127.9378 59.6056 39.5741 174.9106 65 F 5.0868 9.6063 124.7518 55.8659 42.3805 174.1665 66 A 5.5049 8.7024 121.7128 50.9838 22.8894 175.0449 67 T 4.7716 8.2077 107.3582 59.3094 71.2462 174.1508 68 P 2.9700 0.0000 0.0000 64.8529 31.3964 177.0876 69 D 4.3442 7.8785 114.7882 52.7589 39.9029 176.4233 70 A 3.7673 7.8695 121.8392 53.4884 16.6979 178.0753 71 T 4.7998 8.3616 107.9457 62.4600 70.0420 174.5079 72 R 5.2968 7.9375 119.8851 55.0654 34.9704 173.8518 73 A 5.0988 9.1396 122.1882 51.2119 23.4928 174.8704 74 A 5.3110 9.1473 119.2165 50.7030 23.3329 175.3211 75 A 5.4042 9.2227 120.9861 50.5435 23.1321 174.9021 76 E 5.0150 9.0598 122.7788 54.6978 32.5170 174.4138 77 Y 4.9609 7.8028 122.6613 57.7891 42.3036 172.6799 78 T 4.8937 9.0049 116.6407 61.8882 71.0736 174.0173 79 V 4.6311 9.0914 127.5300 61.7104 33.4731 174.1404 80 N 5.3996 9.1831 125.8512 51.6171 41.3260 174.1334 81 G 3.9688 8.2252 110.2146 45.3363 0.0000 170.9233 82 T 5.1447 8.6177 115.2636 61.8483 72.5781 173.3574 83 Y 4.9587 9.5915 128.5491 57.2122 38.8845 175.6574 84 L 4.3717 9.4483 127.9864 56.2666 42.2179 177.6218 85 A 4.4788 7.3144 118.3299 50.0132 22.8699 175.9021 86 T 3.8815 8.3391 117.6585 63.7760 69.2663 173.3428 87 D 4.7413 9.4399 128.7487 52.9498 42.1636 175.5137 88 E 4.0977 8.8901 122.4432 58.3878 29.4629 173.9005 89 G 4.0824 9.2791 113.5872 44.0849 0.0000 172.5982 90 L 4.7536 7.8773 119.2922 52.2308 43.6651 174.0146 91 P 4.6056 0.0000 0.0000 61.9854 31.9538 176.0448 92 E 3.9825 8.5480 120.3870 56.0445 29.9711 176.0638 93 A 3.6085 8.1731 129.9443 52.1357 18.7933 177.8148 94 R 4.5479 9.3674 122.0222 56.0746 31.6619 175.1965 95 Q 3.8117 8.3272 114.7900 57.0181 26.8028 173.5595 96 Q 4.4071 8.1012 116.5309 56.1440 29.9102 175.9601 97 S 5.2271 8.6564 117.8953 57.9203 64.9974 172.6854 98 Y 5.1563 8.2854 118.5062 55.9779 41.8033 173.6401 99 K 5.2414 9.4482 122.1208 55.1897 35.4273 175.1820 100 L 4.6686 9.2857 126.1880 54.1835 43.9577 172.9377 101 P 4.9286 0.0000 0.0000 63.0363 32.4305 175.2089 102 A 4.7325 8.5251 122.5455 51.0524 23.2875 175.4320 103 G 4.3107 9.0601 105.5583 44.7110 0.0000 172.0924 104 S 5.2412 9.1950 118.6478 56.4127 67.2507 173.0916 105 F 5.3178 8.8382 121.2074 55.8151 42.6616 174.2778 106 F 5.9375 9.4815 119.8789 54.9791 43.6034 173.4077 107 D 5.6210 8.7800 120.3696 52.8073 44.0036 175.2305 108 L 5.3349 8.7909 120.3954 53.2496 46.6749 175.7741 109 R 4.4835 8.7450 121.4701 56.0610 33.0071 174.8158 110 D 4.4818 10.0024 123.9427 55.3602 38.4749 174.7100 111 G 3.9507 8.6196 105.2998 45.2335 0.0000 173.9142 112 L 4.8087 7.5988 119.6462 52.3666 44.3713 175.7123 113 I 4.3395 8.5592 124.2033 61.8890 37.5053 176.5682 114 T 4.3914 9.0395 117.3165 61.1003 70.9137 174.1652 115 R 5.1248 7.6199 121.8742 55.2130 34.0467 173.5892 116 V 4.5916 8.7319 124.7188 61.5453 34.9900 174.0847 117 T 4.8180 8.6184 123.9310 61.9923 72.4178 173.0750 118 T 5.0701 8.2353 121.1614 61.9949 72.0232 172.8412 119 Y 5.0348 9.4052 123.7989 56.7136 41.9989 174.0065 120 Y 4.8658 7.5786 117.7209 55.3174 41.0397 174.6088 121 N 4.5502 8.7506 118.6225 52.8775 38.5515 174.9306 122 L 4.3059 8.1688 129.9442 58.0624 42.4942 178.4440 123 S 4.1790 8.1896 114.7595 61.6895 62.7597 176.0696 124 D 4.3475 8.6137 120.6861 56.9843 40.9907 177.9701 125 W 4.0978 8.4589 128.9220 60.7095 30.6079 178.0313 126 I 3.4750 8.3276 119.9762 63.9709 36.2385 178.4309 127 K 3.8848 7.6462 119.7055 59.5437 32.4484 178.5559 128 Q 4.0814 8.0725 118.4061 59.0067 28.4911 178.8889 129 V 3.8684 6.9504 110.4373 62.6025 31.8723 177.7306 130 S 4.4124 7.4304 113.2963 59.1007 63.1460 173.8793 131 A 4.1484 7.3338 128.1326 52.3169 18.1596 177.0951 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 -5 N 8.42 4.66 0.00 2.78 2.93 0.00 0.00 5.97 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 -4 L 8.34 4.66 0.00 1.78 1.75 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.36 4.75 0.00 2.84 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 -2 F 7.97 5.09 0.00 3.09 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 -1 Q 8.88 4.51 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 0 G 8.38 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 -3 N 8.64 4.94 0.00 2.64 2.56 0.00 0.00 6.67 7.45 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 -2 D 8.01 5.11 0.00 2.67 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 -1 T 8.71 4.52 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 0 I 8.05 4.14 1.87 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 1.30 0.86 0.91 0.00 0.00 6 A 7.92 4.26 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 7 R 7.94 3.88 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 8 Y 7.85 3.99 0.00 2.89 2.81 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 9 F 8.05 4.40 0.00 3.11 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 10 D 8.67 4.42 0.00 2.91 2.74 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 11 A 8.36 3.97 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 12 F 8.04 3.84 0.00 2.88 3.26 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 13 N 8.38 4.50 0.00 2.96 2.96 0.00 0.00 7.08 6.97 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 14 A 7.71 4.34 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 15 G 7.60 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 16 D 8.07 4.70 0.00 2.68 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 17 T 8.04 4.07 4.32 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 1.19 0.00 0.00 18 D 8.37 4.50 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 19 G 8.07 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 0.00 0.00 0.00 *21 L 8.03 4.43 0.00 1.94 1.81 1.05 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.90 4.11 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 23 C 7.68 4.34 0.00 3.23 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 24 L 7.24 4.97 0.00 1.58 1.39 0.07 0.59 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 25 S 8.44 4.44 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 26 E 8.76 3.96 0.00 2.02 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 2.39 2.25 0.00 27 D 7.85 5.01 0.00 2.76 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 28 V 7.50 3.80 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 0.73 0.00 0.00 0.86 0.00 0.00 29 A 8.93 4.89 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 30 H 9.34 4.86 0.00 3.33 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.93 4.58 0.00 2.96 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.12 3.51 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 0.75 0.00 0.00 0.49 0.00 0.00 33 N 7.78 4.59 0.00 2.94 2.82 0.00 0.00 7.02 6.94 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 34 E 9.08 3.90 0.00 1.96 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 2.32 2.34 0.00 35 G 7.80 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 0.00 0.00 0.00 36 N 8.55 4.83 0.00 2.72 2.72 0.00 0.00 6.96 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 37 I 7.99 4.65 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.71 0.78 0.00 0.00 38 R 8.88 4.47 0.00 1.73 1.88 0.00 3.02 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 39 V 8.54 4.78 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 0.84 0.00 0.00 0.93 0.00 0.00 40 G 9.42 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 0.00 0.00 0.00 0.00 41 K 8.56 4.19 0.00 1.86 1.93 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 42 E 8.20 4.02 0.00 2.06 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 2.44 2.44 0.00 43 K 8.10 4.07 0.00 2.02 1.95 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.49 7.81 44 F 8.25 4.14 0.00 3.25 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 45 A 8.65 4.11 1.49 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 46 A 8.15 4.00 1.44 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 0.00 0.00 0.00 47 F 8.16 4.14 0.00 2.94 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 48 C 8.09 3.89 0.00 3.12 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 49 A 8.05 4.14 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 50 H 7.92 4.10 0.00 3.27 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 S 8.00 4.32 0.00 3.95 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 53 H 7.97 4.36 0.00 3.07 3.40 0.00 5.99 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.76 4.31 0.00 2.36 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 0.00 0.00 0.00 55 Y 7.49 5.56 0.00 2.88 2.98 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 56 K 9.10 4.65 0.00 1.88 1.66 0.00 1.41 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.41 7.81 57 E 8.83 5.40 0.00 2.17 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 2.45 2.55 0.00 58 E 9.56 5.06 0.00 1.81 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 2.40 0.00 59 L 9.47 5.33 0.00 1.32 1.33 0.21 0.74 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 60 T 8.62 4.67 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 1.23 0.00 0.00 61 D 8.55 4.25 0.00 2.90 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 *63 V 8.01 3.68 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 0.46 0.00 0.00 0.91 0.00 0.00 64 I 8.16 5.00 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 1.01 0.00 0.00 65 F 9.61 5.09 0.00 3.01 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 66 A 8.70 5.50 1.39 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 67 T 8.21 4.77 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 1.29 0.00 0.00 68 P 0.00 2.97 0.00 1.76 1.51 0.00 3.57 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 1.86 1.68 0.00 69 D 7.88 4.34 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.87 3.77 1.39 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 71 T 8.36 4.80 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 1.28 0.00 0.00 72 R 7.94 5.30 0.00 1.82 1.89 0.00 3.43 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 73 A 9.14 5.10 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 74 A 9.15 5.31 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 75 A 9.22 5.40 1.62 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 0.00 0.00 76 E 9.06 5.01 0.00 2.06 1.92 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 2.13 2.21 0.00 77 Y 7.80 4.96 0.00 3.03 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 78 T 9.00 4.89 4.42 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 1.26 0.00 0.00 79 V 9.09 4.63 2.31 0.00 0.00 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 1.06 0.00 0.00 80 N 9.18 5.40 0.00 2.64 2.64 0.00 0.00 6.21 7.13 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 81 G 8.23 3.97 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 0.00 0.00 0.00 82 T 8.62 5.14 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 1.27 0.00 0.00 83 Y 9.59 4.96 0.00 3.43 3.23 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 84 L 9.45 4.37 0.00 1.68 1.62 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.31 4.48 0.94 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 0.00 0.00 0.00 0.00 0.00 86 T 8.34 3.88 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 1.29 0.00 0.00 87 D 9.44 4.74 0.00 2.83 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 88 E 8.89 4.10 0.00 2.02 1.80 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 2.24 1.93 0.00 89 G 9.28 4.08 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 0.00 0.00 0.00 90 L 7.88 4.75 0.00 2.07 2.04 0.90 1.29 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 91 P 0.00 4.61 0.00 2.14 2.06 0.00 3.96 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 1.96 2.12 0.00 92 E 8.55 3.98 0.00 1.93 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 2.22 2.26 0.00 93 A 8.17 3.61 0.45 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 0.00 0.00 94 R 9.37 4.55 0.00 1.69 1.85 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 95 Q 8.33 3.81 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 96 Q 8.10 4.41 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 97 S 8.66 5.23 0.00 3.82 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 98 Y 8.29 5.16 0.00 3.18 3.02 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 99 K 9.45 5.24 0.00 1.76 1.73 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.60 7.81 100 L 9.29 4.67 0.00 1.78 1.86 1.07 1.13 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 0.00 101 P 0.00 4.93 0.00 1.94 2.00 0.00 3.75 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 2.04 2.11 0.00 102 A 8.53 4.73 1.02 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 0.00 103 G 9.06 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.19 5.24 0.00 4.03 3.27 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 0.00 105 F 8.84 5.32 0.00 2.86 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 0.00 106 F 9.48 5.94 0.00 2.93 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 0.00 107 D 8.78 5.62 0.00 2.59 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 0.00 108 L 8.79 5.33 0.00 1.72 1.51 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 R 8.75 4.48 0.00 1.75 1.69 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 110 D 10.00 4.48 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.62 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 0.00 0.00 0.00 112 L 7.60 4.81 0.00 1.76 1.57 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.56 4.34 1.66 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.38 0.98 0.00 0.00 114 T 9.04 4.39 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 1.26 0.00 0.00 115 R 7.62 5.12 0.00 1.87 1.84 0.00 2.78 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 116 V 8.73 4.59 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 0.88 0.00 0.00 0.89 0.00 0.00 117 T 8.62 4.82 4.07 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 0.78 0.00 0.00 118 T 8.24 5.07 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 1.43 0.00 0.00 119 Y 9.41 5.03 0.00 2.79 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 0.00 120 Y 7.58 4.87 0.00 2.93 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 0.00 121 N 8.75 4.55 0.00 2.83 2.88 0.00 0.00 6.51 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 0.00 122 L 8.17 4.31 0.00 1.65 1.63 1.17 0.98 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 0.00 123 S 8.19 4.18 0.00 4.12 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 0.00 124 D 8.61 4.35 0.00 2.87 2.94 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 0.00 0.00 0.00 125 W 8.46 4.10 0.00 3.43 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 0.00 126 I 8.33 3.48 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.93 0.00 0.00 127 K 7.65 3.88 0.00 2.12 2.03 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.35 7.81 128 Q 8.07 4.08 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 129 V 6.95 3.87 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 0.05 0.00 0.00 -0.13 0.00 0.00 130 S 7.43 4.41 0.00 3.76 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 0.00 131 A 7.33 4.15 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 * Residues marked with a * may have inaccurate shift predictions.