NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2456 8.4145 122.1404 54.0705 33.9744 177.2276 5 R 4.1549 7.4811 118.2934 56.5581 30.4369 179.1328 6 N 5.1660 8.0412 117.4744 52.6410 39.8389 178.7220 7 V 4.3858 7.8653 118.8128 62.9276 35.2411 179.7663 8 E 4.2492 8.2884 117.5554 58.6115 30.0056 180.2236 9 L 5.0464 7.7768 119.2612 55.0015 41.3826 182.1286 10 L 4.7006 7.7592 116.4649 54.7889 45.0985 178.3778 11 A 4.6373 7.8841 120.6063 54.0505 18.7517 178.1035 12 T 4.7092 7.8694 108.7985 60.5901 70.1197 180.0548 13 L 4.9497 7.6327 125.6303 52.6814 42.6591 180.9708 14 K 5.3351 7.5045 135.0000 55.9189 31.3805 176.6660 15 E 5.5078 7.9278 112.8767 54.9540 31.5941 177.7573 16 N 4.8677 7.7772 115.1315 55.1713 40.7977 181.1110 17 L 4.5384 7.8179 119.0383 54.8499 41.4267 179.6546 18 E 4.8240 8.5241 115.4628 55.6571 31.1436 181.7083 19 R 5.6390 7.1889 128.9175 57.8728 31.6780 175.1002 20 A 4.6633 7.6844 126.9479 54.3668 22.6830 178.6773 21 Q 4.6191 7.6767 110.7714 54.1313 27.1795 181.1120 22 G 4.4218 7.3339 102.9144 45.2111 0.0000 173.4368 23 S 6.3000 6.8286 135.0000 59.4479 64.8255 177.8427 *24 F 4.8262 7.1003 128.4441 57.2648 40.4527 177.8089 *25 F 5.1846 8.5132 119.2496 57.2291 42.3028 176.1512 26 L 4.5985 8.7758 124.0480 54.5866 44.3955 177.0565 27 V 4.8373 8.4388 125.6470 58.7326 36.1693 172.4395 28 N 5.0042 8.8106 120.6385 53.4286 37.4370 172.8280 *29 Y 4.4362 8.2264 124.5271 55.3881 38.4779 174.1939 30 Q 5.2482 7.7612 124.2732 52.6270 30.2240 172.4176 31 G 5.1889 7.8569 127.0700 45.8983 0.0000 171.3228 32 L 4.3223 7.4997 117.9002 54.1473 47.0144 174.7761 33 P 5.3953 0.0000 0.0000 60.6433 31.5234 177.8970 34 A 4.7954 7.9621 120.8619 53.3537 18.9129 177.6481 35 K 4.2929 8.2153 123.3411 56.6171 33.0988 179.8532 36 E 4.7589 7.7672 114.9413 56.2976 30.4624 181.9524 37 T 4.6597 7.6900 116.6156 61.7861 69.2398 177.3790 *38 H 4.8700 8.0898 118.7355 54.8993 31.1517 176.2825 39 A 4.7590 8.1298 118.4256 52.4739 20.6698 176.1712 40 L 4.5820 8.2132 116.7391 56.4906 43.5645 183.8331 41 R 4.6901 7.7328 117.8141 56.2732 29.8893 178.2673 42 Q 4.8130 7.1482 112.1333 55.1007 30.5154 176.3447 43 A 4.9343 7.3815 127.2103 53.5457 20.9972 179.1474 44 L 4.2251 8.3699 118.2225 56.8538 40.6975 182.2176 45 K 4.4697 7.7289 123.5078 54.8216 30.8924 181.3219 46 Q 4.7382 8.0189 127.3495 54.2955 29.5564 174.8054 47 N 4.6682 7.3445 112.8707 51.8686 40.1680 178.2758 48 G 4.7344 8.3626 115.7541 45.6142 0.0000 172.5288 49 A 3.9136 8.8617 131.2869 52.4634 18.9864 177.4791 50 R 3.6753 7.9367 119.9617 55.7751 30.2850 175.7744 51 L 4.6909 7.9269 132.0007 53.8815 41.1991 171.3143 *52 F 4.8712 7.6854 120.1306 56.6943 40.8146 179.4857 53 V 4.5990 8.2505 122.8819 58.0636 35.3070 171.1742 54 A 4.3988 8.5356 120.4073 56.6101 19.4869 180.2270 55 K 4.1460 7.8996 123.0238 55.4581 29.3409 177.3633 56 N 4.7527 8.1931 122.8646 50.7775 37.8740 173.4504 57 T 3.9356 8.8760 123.5088 63.1940 69.3052 173.1897 58 L 4.0126 7.1295 129.5027 54.0864 44.2146 177.9530 59 I 4.1669 8.2551 127.6606 60.8619 34.6921 174.2989 60 R 4.0841 8.7201 118.4097 60.3504 27.9434 176.9292 61 L 4.7155 7.8868 116.3489 52.1972 41.9630 181.4960 62 A 4.6535 9.1363 130.9142 53.5668 18.3431 183.6570 63 L 3.0988 7.9628 117.5064 54.0030 44.0799 178.6317 64 K 4.7439 7.7625 126.5335 52.9641 32.3754 178.4978 65 E 4.8691 7.4826 118.9468 57.3263 35.9790 179.4660 66 L 4.9413 7.8058 115.1770 54.1833 42.7014 182.4010 67 G 4.1760 7.1804 107.2037 45.5183 0.0000 174.8137 68 L 5.5926 7.8182 129.3454 54.3794 44.0739 175.0585 69 P 5.2264 0.0000 0.0000 64.1248 37.9700 176.6817 70 E 4.7667 8.2146 115.5713 57.1551 36.0219 179.0755 71 L 4.3904 8.6581 121.8254 54.9751 40.4164 179.3987 72 D 4.8182 7.5325 120.0099 53.2468 41.2712 178.8239 73 G 3.9991 8.7445 108.3841 46.9088 0.0000 175.3776 74 L 4.2807 7.7988 123.9242 54.3180 38.6381 183.4039 75 Q 3.8804 7.5312 119.3634 59.7648 28.8626 181.7654 76 G 3.9020 7.9821 109.1539 45.9025 0.0000 172.7196 77 P 4.6417 0.0000 0.0000 63.6108 33.3633 179.8021 78 S 4.1571 7.7908 112.7955 61.0151 62.3611 177.3968 79 A 3.9813 7.9102 131.6060 56.6370 17.3585 176.4798 80 V 4.4427 8.3592 116.7357 59.9504 32.5974 170.3451 81 V 4.0081 8.0636 121.8753 60.9296 30.6681 178.6333 *82 F 4.2313 8.0983 123.0360 58.5404 39.4997 176.3201 *83 Y 4.6622 8.8332 133.4667 54.9284 34.8966 175.7551 84 E 5.9800 8.6982 135.0000 58.1301 31.7600 176.8139 85 D 4.7367 9.0101 126.6843 54.1847 39.7715 171.2297 86 P 3.9212 0.0000 0.0000 60.0744 34.4991 179.6259 87 V 4.5587 7.5153 110.3699 62.4768 32.8873 167.4729 88 A 4.1671 7.4474 129.7973 52.7317 19.8030 177.8264 89 A 4.7276 7.7229 121.6671 48.4813 19.1480 177.3803 90 A 4.6225 6.7498 135.0000 52.3417 22.8103 178.3631 91 K 4.6588 7.7803 124.3985 59.4960 36.5481 176.2998 92 T 5.2715 8.2091 110.3600 63.2777 71.9253 170.1622 93 L 4.1568 7.7283 130.6533 56.0271 40.8200 181.9380 94 V 3.6415 9.4364 118.2324 65.2848 32.4966 181.4619 95 Q 4.0434 8.5537 121.0068 58.6194 28.3844 181.9005 *96 F 4.0565 8.6911 115.2685 60.3095 37.9501 181.9052 97 A 4.1259 7.9703 124.3318 54.2166 18.1676 178.5226 98 K 4.4827 8.7777 120.1409 55.0968 32.0649 183.9500 99 S 4.6436 8.0867 120.9357 55.9199 60.4794 178.3940 100 N 5.4820 7.1700 135.0000 53.3038 42.4366 175.4387 101 P 4.5774 0.0000 0.0000 63.5788 31.8753 180.2339 102 K 4.6808 8.8637 110.7494 55.3730 31.3817 179.9681 103 G 4.2005 8.0428 107.3879 46.8388 0.0000 174.6788 104 I 4.4818 9.3078 118.5187 58.1574 36.9665 179.3638 105 P 5.8500 0.0000 0.0000 64.7796 34.3278 177.4184 106 Q 4.5476 8.0890 133.9031 55.4417 34.7316 173.2177 107 V 4.4044 9.5490 113.7900 60.8780 32.8258 178.3599 108 K 5.3600 8.1520 135.0000 57.9846 33.2980 179.1388 109 S 3.8805 6.8594 126.3755 58.8169 61.9935 176.7374 110 G 4.0432 8.7333 114.6453 44.8209 0.0000 172.1218 111 L 4.3510 8.8740 126.8550 56.1830 42.2386 173.7418 112 L 3.6537 6.6476 121.0852 51.7980 42.8817 178.2804 113 Q 4.8535 7.5802 117.1509 54.8254 31.8185 174.3382 114 G 4.2167 8.5449 104.2248 46.6171 0.0000 173.2770 115 Q 4.6567 8.0572 123.2297 54.4239 31.7504 181.1601 116 I 4.8389 8.3239 126.5837 60.2111 38.5229 171.5161 117 L 5.2255 8.5157 134.3427 52.3689 41.7434 175.6237 118 T 4.0785 7.3402 123.2650 58.9410 66.8480 170.0369 119 A 4.9178 8.4761 129.8464 53.8194 17.9012 179.4652 120 K 4.8064 7.0510 119.1353 55.5039 34.6395 177.2787 121 D 5.0765 7.4743 119.9129 52.3705 44.8828 180.3445 122 V 4.3609 8.2672 118.3703 61.5525 31.1283 178.9702 123 E 5.9800 8.5594 114.8474 57.1062 31.0740 173.4779 124 A 4.1953 7.5996 130.7130 52.1334 20.5867 179.1814 125 L 3.4161 8.9102 111.9041 58.2204 40.1611 174.7878 126 A 4.4966 9.3779 120.4884 53.9791 18.8902 181.1985 127 E 3.8385 8.1191 119.3100 59.6464 30.0211 182.4049 128 L 4.4076 7.7420 119.2462 55.3282 41.8646 179.6035 129 P 4.7269 0.0000 0.0000 65.4053 32.0673 183.5327 130 T 4.5685 8.7596 114.4281 61.0952 67.9812 177.9951 131 M 4.8508 7.9621 118.6887 56.8218 35.5886 178.1308 132 D 4.7793 8.8325 121.1705 53.5670 41.2551 180.7955 133 E 4.3593 8.2684 122.1702 56.5524 30.0415 178.0261 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 4 K 8.41 4.25 0.00 1.79 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 R 7.48 4.15 0.00 1.90 1.78 0.00 3.19 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.00 6 N 8.04 5.17 0.00 2.70 2.68 0.00 0.00 6.28 7.67 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 7 V 7.87 4.39 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 0.91 0.00 0.00 0.93 0.00 0.00 8 E 8.29 4.25 0.00 1.89 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 2.31 1.87 0.00 9 L 7.78 5.05 0.00 1.65 1.56 0.92 0.74 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 10 L 7.76 4.70 0.00 1.60 1.51 0.92 0.77 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 11 A 7.88 4.64 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 12 T 7.87 4.71 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 13 L 7.63 4.95 0.00 1.50 1.52 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.50 5.34 0.00 1.79 1.89 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.21 0.73 7.81 15 E 7.93 5.51 0.00 1.92 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 2.11 1.79 0.00 16 N 7.78 4.87 0.00 2.60 2.72 0.00 0.00 6.95 6.67 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 17 L 7.82 4.54 0.00 1.68 1.57 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.52 4.82 0.00 2.01 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 2.14 2.08 0.00 19 R 7.19 5.64 0.00 1.91 1.83 0.00 3.20 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.00 20 A 7.68 4.66 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 21 Q 7.68 4.62 0.00 2.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.31 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 22 G 7.33 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 0.00 0.00 0.00 0.00 23 S 6.83 6.30 0.00 3.73 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 *24 F 7.10 4.83 0.00 1.96 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 0.00 0.00 0.00 0.00 *25 F 8.51 5.18 0.00 1.99 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 0.00 0.00 0.00 0.00 26 L 8.78 4.60 0.00 1.26 1.53 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.44 4.84 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 0.93 0.00 0.00 0.93 0.00 0.00 28 N 8.81 5.00 0.00 2.48 2.66 0.00 0.00 6.29 7.55 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 *29 Y 8.23 4.44 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.76 5.25 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.81 0.00 0.00 0.00 0.00 0.00 2.03 1.71 0.00 31 G 7.86 5.19 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 0.00 32 L 7.50 4.32 0.00 1.63 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 5.40 0.00 2.17 2.11 0.00 3.65 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 1.74 1.35 0.00 34 A 7.96 4.80 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 K 8.22 4.29 0.00 1.79 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.00 7.81 36 E 7.77 4.76 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 37 T 7.69 4.66 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 *38 H 8.09 4.87 0.00 2.87 2.94 0.00 7.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.13 4.76 1.23 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 40 L 8.21 4.58 0.00 1.62 1.51 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.73 4.69 0.00 1.81 1.82 0.00 3.28 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 42 Q 7.15 4.81 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.47 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 43 A 7.38 4.93 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 44 L 8.37 4.23 0.00 1.68 1.58 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.73 4.47 0.00 1.74 1.65 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.22 7.81 46 Q 8.02 4.74 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.67 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 47 N 7.34 4.67 0.00 2.60 2.73 0.00 0.00 6.54 7.89 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 48 G 8.36 4.73 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 0.00 0.00 0.00 49 A 8.86 3.91 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 50 R 7.94 3.68 0.00 1.85 1.74 0.00 3.31 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 51 L 7.93 4.69 0.00 1.66 1.84 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *52 F 7.69 4.87 0.00 2.22 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 0.00 0.00 0.00 53 V 8.25 4.60 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 0.93 0.00 0.00 0.93 0.00 0.00 54 A 8.54 4.40 1.31 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 55 K 7.90 4.15 0.00 1.79 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 56 N 8.19 4.75 0.00 2.73 2.68 0.00 0.00 6.80 7.71 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 57 T 8.88 3.94 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 58 L 7.13 4.01 0.00 1.73 1.45 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.26 4.17 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 1.27 1.10 0.91 0.00 0.00 60 R 8.72 4.08 0.00 1.97 1.87 0.00 3.23 0.00 0.00 3.26 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 61 L 7.89 4.72 0.00 1.78 1.57 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.14 4.65 1.23 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 63 L 7.96 3.10 0.00 1.76 1.76 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.76 4.74 0.00 1.76 1.63 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 65 E 7.48 4.87 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.80 0.00 66 L 7.81 4.94 0.00 1.59 1.47 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.18 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.82 5.59 0.00 1.72 1.55 0.92 0.82 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 69 P 0.00 5.23 0.00 2.03 1.90 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 70 E 8.21 4.77 0.00 1.92 1.56 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 2.13 1.87 0.00 71 L 8.66 4.39 0.00 1.66 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.53 4.82 0.00 2.69 2.49 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 73 G 8.74 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 0.00 0.00 0.00 74 L 7.80 4.28 0.00 1.58 1.62 0.92 0.85 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 75 Q 7.53 3.88 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.73 0.00 0.00 0.00 0.00 0.00 2.30 1.98 0.00 76 G 7.98 3.90 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 0.00 0.00 0.00 77 P 0.00 4.64 0.00 2.08 1.86 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 78 S 7.79 4.16 0.00 3.69 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 79 A 7.91 3.98 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 80 V 8.36 4.44 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 0.68 0.00 0.00 0.93 0.00 0.00 81 V 8.06 4.01 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 0.86 0.00 0.00 0.93 0.00 0.00 *82 F 8.10 4.23 0.00 2.29 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 0.00 0.00 0.00 *83 Y 8.83 4.66 0.00 2.28 1.43 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 84 E 8.70 5.98 0.00 2.09 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 1.99 1.60 0.00 85 D 9.01 4.74 0.00 2.69 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 86 P 0.00 3.92 0.00 2.11 1.85 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 87 V 7.52 4.56 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 0.81 0.00 0.00 0.93 0.00 0.00 88 A 7.45 4.17 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 89 A 7.72 4.73 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 90 A 6.75 4.62 1.04 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 0.00 0.00 0.00 0.00 0.00 91 K 7.78 4.66 0.00 1.72 1.42 0.00 1.81 0.00 0.00 2.40 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.15 0.83 7.81 92 T 8.21 5.27 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 93 L 7.73 4.16 0.00 1.56 1.43 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.44 3.64 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 0.67 0.00 0.00 0.93 0.00 0.00 95 Q 8.55 4.04 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.66 0.00 0.00 0.00 0.00 0.00 2.38 1.97 0.00 *96 F 8.69 4.06 0.00 2.16 2.34 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 97 A 7.97 4.13 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 98 K 8.78 4.48 0.00 1.72 1.68 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.23 7.81 99 S 8.09 4.64 0.00 3.66 3.71 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 0.00 100 N 7.17 5.48 0.00 2.85 2.79 0.00 0.00 6.67 7.75 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 0.00 101 P 0.00 4.58 0.00 1.95 1.68 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.53 0.00 102 K 8.86 4.68 0.00 1.77 1.71 0.00 1.62 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 0.97 7.81 103 G 8.04 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 0.00 0.00 0.00 0.00 104 I 9.31 4.48 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 1.16 0.88 0.91 0.00 0.00 105 P 0.00 5.85 0.00 2.07 2.04 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.31 0.00 106 Q 8.09 4.55 0.00 2.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.28 0.00 0.00 0.00 0.00 0.00 2.10 1.84 0.00 107 V 9.55 4.40 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 0.90 0.00 0.00 0.93 0.00 0.00 108 K 8.15 5.36 0.00 1.73 1.77 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.20 0.74 7.81 109 S 6.86 3.88 0.00 3.64 3.70 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 0.00 110 G 8.73 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.87 4.35 0.00 1.67 1.56 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 112 L 6.65 3.65 0.00 1.60 1.59 0.92 0.67 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 0.00 113 Q 7.58 4.85 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 114 G 8.54 4.22 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 0.00 115 Q 8.06 4.66 0.00 1.71 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.72 0.00 0.00 0.00 0.00 0.00 2.24 1.89 0.00 116 I 8.32 4.84 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 1.20 2.03 0.91 0.00 0.00 117 L 8.52 5.23 0.00 1.33 1.60 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.34 4.08 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 0.00 119 A 8.48 4.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.05 4.81 0.00 1.76 1.64 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.10 0.80 7.81 121 D 7.47 5.08 0.00 2.53 2.49 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 0.00 122 V 8.27 4.36 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 0.67 0.00 0.00 0.93 0.00 0.00 123 E 8.56 5.98 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 1.98 1.62 0.00 124 A 7.60 4.20 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 L 8.91 3.42 0.00 1.59 1.42 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 126 A 9.38 4.50 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 0.00 127 E 8.12 3.84 0.00 2.02 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 0.00 2.25 2.12 0.00 128 L 7.74 4.41 0.00 1.60 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.73 0.00 1.98 2.05 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.56 0.00 130 T 8.76 4.57 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 0.00 131 M 7.96 4.85 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.10 0.00 132 D 8.83 4.78 0.00 2.60 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 0.00 0.00 0.00 0.00 133 E 8.27 4.36 0.00 1.97 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.