NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 K 4.1523 8.3144 121.7853 57.4080 33.4315 174.5934 19 V 3.9467 8.8702 127.9281 60.6273 32.2507 170.5004 20 Y 4.8133 6.7611 118.5667 58.4211 41.0817 175.8526 21 T 4.0311 8.1390 102.5387 59.1639 66.0368 172.6309 22 I 3.1933 7.0649 126.5597 62.3304 37.4466 176.8152 23 D 4.4710 8.3282 126.5609 56.8906 40.9201 178.4659 24 E 4.1451 7.4042 114.3716 57.4678 29.3681 177.8363 25 A 4.0730 7.9333 123.2157 55.1667 18.6700 180.8242 26 A 4.2631 7.6724 118.5151 51.9002 17.5900 178.9847 27 R 4.1195 7.6556 118.9935 56.7582 28.4619 176.0032 *34 T 4.2092 7.9835 121.8195 61.6230 70.2068 173.7669 35 A 4.0871 8.1792 129.3804 52.2814 22.5242 179.3450 36 K 4.3011 9.2753 120.0269 53.6652 34.2550 174.7043 37 F 4.3683 8.8262 122.5285 58.8045 39.2865 174.3598 38 D 4.5690 8.9146 128.6632 55.0862 39.0792 176.2935 39 E 4.4767 7.8509 118.0220 55.2818 31.7293 176.3854 40 T 4.1476 7.7834 113.8412 62.6306 67.9177 175.0731 41 V 3.8538 7.5064 113.6484 62.5565 32.5144 175.1466 42 E 4.8574 8.2841 118.5536 54.5211 32.9113 177.0344 43 V 4.4495 8.1555 120.3053 63.4591 32.5466 175.3501 44 H 4.0761 8.3994 114.2693 56.2431 29.8463 172.5578 45 A 4.6218 8.4869 128.6711 50.3765 19.3720 178.1336 46 K 5.1637 7.9656 134.3538 58.4052 34.0163 173.1497 47 L 4.8655 7.6952 131.1563 54.0831 42.4206 176.0210 48 G 3.6747 8.6275 109.2039 45.5329 0.0000 173.3797 49 I 3.6138 8.3857 126.8997 60.6988 37.7717 174.4102 50 D 4.3881 8.5706 122.8645 52.9208 38.7521 174.3099 51 P 4.5818 0.0000 0.0000 62.5292 33.6196 175.7307 52 R 4.0483 9.0149 121.1430 56.8770 28.5736 176.7587 53 R 4.8145 8.2661 120.5353 55.6276 32.6101 174.8740 54 S 4.6378 7.2015 111.8733 60.0667 67.5891 173.2132 55 D 4.4583 8.0719 125.1261 53.7822 43.4910 177.6945 56 Q 4.5566 8.6732 113.6640 54.7815 31.0978 173.6365 57 N 4.6680 8.4080 117.7598 52.5611 41.4089 175.1866 58 V 3.9057 8.2990 119.9888 61.6461 31.7752 175.3035 59 R 4.5780 8.2056 118.1419 54.6827 32.4272 176.3585 60 G 3.5933 8.5715 109.8310 46.0638 0.0000 174.2161 61 T 3.2719 8.7830 119.5076 61.8798 67.6272 173.7776 62 V 3.5036 8.0756 118.5589 65.3206 31.5353 177.5911 63 S 3.5568 7.9511 122.3958 60.5444 63.6653 171.8856 64 L 3.4540 8.0162 133.4714 53.7881 40.5633 172.6527 65 P 4.8980 0.0000 0.0000 62.4306 29.3043 174.3039 66 H 4.7004 8.0841 118.4097 57.0907 37.2710 173.6112 67 G 4.1287 8.3386 112.0477 45.8169 0.0000 174.6291 68 L 3.6436 8.2801 116.0401 53.7922 40.0254 175.4687 69 G 4.0165 7.4991 103.8953 46.5295 0.0000 174.1897 70 K 4.2709 7.4666 116.5734 55.8605 33.7578 179.0232 71 Q 4.2657 8.2911 123.7630 56.1447 26.5631 174.3153 72 V 3.8427 7.6943 120.0371 62.3075 32.5936 176.0936 73 R 5.3170 8.1361 128.7512 53.3448 28.6883 174.7656 74 V 3.4576 7.7132 116.8443 63.4558 32.5012 175.9311 75 L 4.3944 8.4714 131.7544 53.7639 41.3741 173.2219 76 A 4.3522 8.1079 123.2322 51.1110 19.2985 177.6233 77 I 3.9089 8.3857 119.9745 62.9005 38.3061 175.5677 78 A 3.8952 8.0451 123.9643 51.2916 19.2633 179.1307 79 K 4.3447 8.5133 117.9084 57.3173 31.4383 178.0890 80 G 3.9977 8.7152 106.8587 45.5189 0.0000 174.4199 81 E 4.5797 7.9221 116.5924 55.7131 32.0495 176.4177 82 K 4.4503 7.8405 119.8867 56.3243 31.4150 176.6503 83 I 4.5073 7.4495 115.4174 60.9632 39.1148 176.7885 84 K 4.5155 7.9050 118.1920 56.2971 32.9461 176.7321 85 E 4.5667 7.8238 114.7740 57.0718 34.0262 175.7027 86 A 4.5945 7.9641 121.0760 52.1818 19.2371 177.3951 87 E 4.5287 7.8905 114.5735 56.6428 31.3549 176.4108 88 E 4.6230 7.2243 115.9569 53.2932 30.3180 174.5478 89 A 4.3548 7.1835 118.3684 52.0279 22.6317 176.5306 90 G 3.9487 7.4534 114.1504 45.4754 0.0000 172.1279 91 A 5.0095 7.4934 122.3179 50.8607 22.5971 175.5604 92 D 4.7536 8.7973 115.7817 54.8300 40.9417 175.5355 93 Y 4.7476 7.3273 113.9306 57.0387 42.0319 174.1927 94 V 4.3370 8.2380 109.1784 61.3571 35.9034 173.5629 95 G 4.3500 8.5984 115.3201 45.2034 0.0000 171.1947 96 G 3.7712 8.0999 114.3476 45.8910 0.0000 173.7214 97 E 4.4271 8.8775 123.5469 56.4090 30.2370 176.7713 98 E 4.4348 7.9484 118.3739 57.0005 29.8814 177.2207 99 I 4.3895 7.4137 118.9817 61.3261 38.2449 177.6981 100 I 3.6329 7.3381 120.6522 64.0860 36.9126 177.1143 101 Q 4.4905 7.9983 116.4241 55.7939 30.6577 176.7537 102 K 4.3991 7.7899 118.9332 55.3953 32.3650 183.2306 103 I 4.6331 7.5190 115.2926 60.8142 37.9107 182.3440 104 L 4.5315 7.6347 118.9700 55.6059 40.9728 182.6908 105 D 4.7009 7.9694 117.4996 55.0310 41.2935 181.6548 106 G 3.8336 8.0181 110.7887 44.9121 0.0000 175.6559 *107 W 4.3460 8.6904 132.5625 55.4363 26.2992 173.3845 108 M 5.3830 6.8117 132.0613 56.2877 34.3481 178.3603 109 D 4.6414 8.0057 121.1947 56.1098 44.2547 178.4882 *110 F 3.9054 8.0415 118.3937 56.1649 39.5113 178.5888 *119 V 4.1451 7.9267 115.3939 63.4012 32.1357 174.4424 120 M 4.8486 7.8873 109.8279 56.7041 33.1425 172.6686 121 G 4.0281 8.7313 122.5928 43.1882 0.0000 170.3991 122 A 3.8496 7.7410 123.8943 52.6075 19.4573 178.2577 123 V 4.0232 8.0812 116.5214 60.0111 32.4684 176.7038 124 G 3.9588 8.4507 116.7260 45.8406 0.0000 175.1557 125 S 4.0805 8.9746 123.7380 59.8157 60.0537 168.2600 126 K 4.7429 8.9616 119.0336 55.9539 32.4750 179.2145 127 L 4.5125 7.3034 122.4595 52.1351 40.1657 175.6010 128 G 4.0166 8.3703 116.7281 46.0288 0.0000 171.4755 129 R 4.4472 8.4173 125.2892 57.1657 29.3928 176.3145 130 I 4.3932 7.5144 117.5258 61.5802 35.2969 179.8143 131 L 4.6910 7.6879 119.4125 54.4602 40.8358 180.6696 132 G 4.6438 7.3757 118.1662 46.8141 0.0000 173.2123 133 P 4.7064 0.0000 0.0000 62.9920 33.8147 182.1476 134 R 4.5689 7.5971 117.3795 53.0790 28.7463 179.6250 135 G 4.1183 7.3464 117.5356 46.4025 0.0000 173.7515 136 L 4.0259 8.8386 120.1885 55.2320 39.6431 175.2219 *139 N 4.7831 7.9993 118.2390 51.6726 40.4091 174.3533 140 P 4.9028 0.0000 0.0000 62.2690 34.1427 179.0683 141 K 3.8537 8.5546 115.1249 56.3525 31.8164 172.5136 142 A 5.4982 7.8897 134.7303 52.4571 21.0809 176.0430 143 G 4.1481 8.5135 115.3891 47.4389 0.0000 175.5904 144 T 4.0993 9.0092 118.8525 63.1253 69.9738 176.0928 145 V 4.1752 7.7324 113.7393 62.7106 34.8460 167.1214 146 G 3.9934 8.6175 110.1186 46.0122 0.0000 173.5702 *147 F 4.6091 9.4666 119.2750 56.7182 39.9348 171.8181 148 N 5.3300 8.1571 135.0000 53.0742 38.0424 171.3003 149 I 4.3944 7.5527 119.3584 59.6842 36.0044 177.2927 150 G 4.0321 8.7255 109.9189 45.7513 0.0000 174.1765 151 E 5.1525 7.4172 118.7957 56.6347 31.9845 181.2465 152 I 4.5270 7.7629 115.0590 61.3329 36.6362 175.6801 153 I 4.0616 7.2821 121.6225 62.5610 40.3848 174.3172 154 R 4.5667 8.1305 118.1549 58.4958 32.7692 171.8818 155 E 4.2652 8.7021 112.2302 56.2748 29.3380 172.2563 156 I 3.8481 7.0806 126.3453 60.8798 37.3518 176.8822 157 K 4.5708 7.9169 131.3520 51.9966 31.4493 172.8391 158 A 4.4482 7.6886 125.7232 52.0329 20.6183 177.0182 159 G 3.8326 8.7360 107.2838 47.9502 0.0000 175.3467 160 R 4.6637 8.1691 116.8199 55.9875 31.9361 178.5210 161 I 4.9213 7.6231 115.6159 61.2006 38.5037 181.5422 162 E 4.7328 8.3981 129.2143 57.7349 28.6317 183.3389 *163 F 4.8483 8.8411 126.6593 59.2126 40.1307 174.2939 164 R 4.6439 8.6493 125.5574 58.9001 37.7400 175.5479 165 N 4.7355 8.8951 118.0844 54.2911 41.7469 176.3546 166 D 4.7512 8.1605 111.8464 54.7099 43.0190 177.1373 167 K 4.5524 7.8659 133.5283 55.0167 31.6419 181.5958 168 T 4.6099 8.4068 112.3194 61.2201 69.8259 174.2650 169 G 4.0544 8.1645 104.2923 46.6986 0.0000 173.1232 170 A 3.5964 8.1972 126.2048 53.5516 17.0988 180.8710 171 I 3.7762 8.4032 117.0298 62.1299 36.4389 179.4528 *172 H 4.8000 7.7675 119.1578 52.2972 30.2862 175.1079 173 A 4.6561 8.4029 135.0000 49.8610 19.1661 176.2083 174 P 3.7638 0.0000 0.0000 63.8427 29.7266 176.2266 175 V 2.8870 8.5298 107.9485 62.5916 27.6597 172.6182 176 G 4.3150 7.8642 115.0609 44.0987 0.0000 169.7569 177 K 4.7175 8.4894 122.3506 54.3366 32.9991 172.7193 178 A 4.7470 8.3118 126.2012 50.0267 22.3169 176.1954 179 S 4.2344 8.3958 114.1436 58.9637 61.8374 170.8555 *180 F 5.1591 7.8960 114.5006 55.6761 41.7636 170.4120 181 P 4.6836 0.0000 0.0000 61.5475 27.9300 175.6170 182 P 5.2350 0.0000 0.0000 59.5492 33.2621 173.3305 183 E 5.8349 8.0630 127.3715 55.5235 33.8371 177.0780 184 K 4.0771 8.9158 128.5779 56.7030 29.8890 178.1687 185 L 5.3582 9.5140 111.8594 54.3240 41.6079 179.0367 186 A 4.6729 8.0730 123.2066 53.6931 20.0511 178.7490 187 D 4.7117 8.1022 116.3459 55.5193 41.0398 183.5556 188 N 4.8374 7.4424 119.4985 53.3300 35.1086 179.6331 189 I 4.1612 7.6595 123.0414 62.0325 36.8189 179.6978 190 R 4.5111 7.9019 115.6663 56.3877 29.4280 181.8244 191 A 4.2627 8.0467 124.8386 55.4746 18.9737 179.4030 *192 F 4.7474 8.1946 112.7292 57.0077 39.8012 179.2894 193 I 4.3675 7.5412 120.7865 62.7632 37.7274 182.7146 194 R 4.2588 7.7750 117.7286 58.3758 29.7056 180.6336 195 A 4.1383 8.0304 122.5282 54.9331 18.6988 178.9271 196 L 4.2853 7.9533 117.5937 56.6861 41.4512 184.0421 197 E 4.4875 7.8738 112.9313 56.7199 29.0288 183.3799 198 A 4.5576 8.4974 128.5360 52.5047 17.4510 178.1193 *199 H 4.8765 8.2195 114.1279 54.1010 30.7657 175.2237 200 K 4.4871 8.2196 121.5385 55.3623 32.2177 179.6973 201 P 4.5987 0.0000 0.0000 62.4735 29.2226 179.4095 202 E 4.3205 8.0475 121.3307 55.8946 30.4581 175.6243 203 G 4.3146 7.3729 113.3289 44.2931 0.0000 171.9787 204 A 4.6485 8.7219 129.7070 52.8334 20.3267 177.6611 205 K 4.3878 8.8020 124.2081 53.6178 38.1861 181.3067 206 G 3.9993 9.0405 114.2457 46.0166 0.0000 174.1625 207 T 4.2360 8.4167 121.6896 59.8918 67.1207 170.6908 *208 F 4.8261 8.0387 127.3455 55.4722 42.5357 174.1969 209 L 3.8352 9.0542 120.3646 56.4794 36.7886 172.8332 210 R 4.9360 7.2622 125.1741 56.7620 34.2604 174.2231 211 S 4.7124 7.9861 113.0070 61.9038 67.6791 172.8715 212 V 4.6857 7.9897 115.3092 64.2260 35.8915 170.9461 *213 Y 3.7887 9.8951 118.5285 58.6332 36.3612 170.6557 214 V 4.3702 7.5730 119.0459 61.7340 35.6571 176.6043 215 T 3.8787 8.8894 109.4890 63.9094 65.2206 169.1295 216 T 4.8432 7.0169 114.4421 61.3676 76.4400 179.9097 217 T 4.1194 7.2599 119.2682 61.7936 73.1633 177.3939 218 M 4.6544 7.8976 121.9602 56.9752 33.4819 173.8652 219 G 4.0145 8.7332 120.9427 46.2972 0.0000 169.9520 220 P 4.9979 0.0000 0.0000 63.2630 34.2672 171.0562 221 S 4.4679 9.1540 120.6373 56.8235 65.6940 173.3000 222 V 3.6069 8.3067 121.8558 61.1373 32.1919 175.7390 223 R 4.5652 7.9302 116.4032 57.1873 33.2326 173.0970 *224 I 4.0436 8.2049 111.7608 61.9220 36.1680 171.6846 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 18 K 8.31 4.15 0.00 1.73 1.79 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.39 7.81 19 V 8.87 3.95 2.33 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 0.97 0.00 0.00 1.01 0.00 0.00 20 Y 6.76 4.81 0.00 3.14 2.52 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 0.00 0.00 0.00 0.00 21 T 8.14 4.03 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 1.23 0.00 0.00 22 I 7.06 3.19 1.72 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 1.28 0.98 0.85 0.00 0.00 23 D 8.33 4.47 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 24 E 7.40 4.15 0.00 1.90 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 2.35 2.31 0.00 25 A 7.93 4.07 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 26 A 7.67 4.26 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 27 R 7.66 4.12 0.00 1.93 1.99 0.00 3.06 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 *34 T 7.98 4.21 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 35 A 8.18 4.09 1.16 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 0.00 0.00 36 K 9.28 4.30 0.00 1.74 1.77 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.56 7.81 37 F 8.83 4.37 0.00 2.91 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 38 D 8.91 4.57 0.00 2.65 2.53 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 0.00 0.00 0.00 0.00 39 E 7.85 4.48 0.00 1.73 1.71 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 1.65 1.47 0.00 40 T 7.78 4.15 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 1.23 0.00 0.00 41 V 7.51 3.85 2.03 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 0.70 0.00 0.00 0.85 0.00 0.00 42 E 8.28 4.86 0.00 2.03 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 2.31 2.30 0.00 43 V 8.16 4.45 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 0.83 0.00 0.00 0.96 0.00 0.00 44 H 8.40 4.08 0.00 3.27 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.49 4.62 1.07 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 0.00 0.00 46 K 7.97 5.16 0.00 1.82 1.84 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.21 7.81 47 L 7.70 4.87 0.00 1.76 1.64 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.63 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.39 3.61 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 1.47 0.44 0.91 0.00 0.00 50 D 8.57 4.39 0.00 3.04 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 51 P 0.00 4.58 0.00 2.40 2.16 0.00 3.83 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 52 R 9.01 4.05 0.00 1.98 1.85 0.00 3.15 0.00 0.00 3.22 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 53 R 8.27 4.81 0.00 1.73 1.85 0.00 3.24 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 54 S 7.20 4.64 0.00 3.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.07 4.46 0.00 2.74 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.67 4.56 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 57 N 8.41 4.67 0.00 2.65 2.70 0.00 0.00 7.04 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 58 V 8.30 3.91 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 0.77 0.00 0.00 0.96 0.00 0.00 59 R 8.21 4.58 0.00 1.77 1.82 0.00 3.37 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 60 G 8.57 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.78 3.27 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 62 V 8.08 3.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 63 S 7.95 3.56 0.00 3.94 3.94 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 64 L 8.02 3.45 0.00 2.07 1.69 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.90 0.00 2.22 2.10 0.00 4.03 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 66 H 8.08 4.70 0.00 3.11 3.27 0.00 5.79 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 67 G 8.34 4.13 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 0.00 0.00 0.00 68 L 8.28 3.64 0.00 1.78 1.75 0.74 0.83 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 69 G 7.50 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 70 K 7.47 4.27 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.36 7.81 71 Q 8.29 4.27 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 72 V 7.69 3.84 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 0.99 0.00 0.00 1.01 0.00 0.00 73 R 8.14 5.32 0.00 1.85 1.90 0.00 3.34 0.00 0.00 3.82 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 74 V 7.71 3.46 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 0.74 0.00 0.00 0.97 0.00 0.00 75 L 8.47 4.39 0.00 1.79 1.58 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.11 4.35 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 77 I 8.39 3.91 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.13 0.95 0.00 0.00 78 A 8.05 3.90 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 79 K 8.51 4.34 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.44 7.81 80 G 8.72 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 81 E 7.92 4.58 0.00 1.92 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 2.19 2.28 0.00 82 K 7.84 4.45 0.00 1.74 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.39 1.45 7.81 83 I 7.45 4.51 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 1.02 0.00 0.00 84 K 7.90 4.52 0.00 1.70 1.78 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.41 7.81 85 E 7.82 4.57 0.00 1.97 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 0.00 2.29 2.29 0.00 86 A 7.96 4.59 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 87 E 7.89 4.53 0.00 1.83 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0.00 0.00 0.00 0.00 0.00 *147 F 9.47 4.61 0.00 2.26 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 0.00 0.00 0.00 148 N 8.16 5.33 0.00 2.85 2.73 0.00 0.00 6.78 7.72 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 0.00 149 I 7.55 4.39 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 1.35 1.14 0.91 0.00 0.00 150 G 8.73 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 0.00 0.00 0.00 151 E 7.42 5.15 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.60 0.00 152 I 7.76 4.53 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 1.15 0.91 0.00 0.00 153 I 7.28 4.06 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 0.87 0.91 0.00 0.00 154 R 8.13 4.57 0.00 1.77 1.71 0.00 3.23 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.00 155 E 8.70 4.27 0.00 1.98 1.85 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 2.23 1.87 0.00 156 I 7.08 3.85 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 0.90 0.91 0.00 0.00 157 K 7.92 4.57 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 0.96 7.81 158 A 7.69 4.45 1.24 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 0.00 0.00 0.00 159 G 8.74 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 0.00 160 R 8.17 4.66 0.00 1.78 1.77 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 161 I 7.62 4.92 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 1.23 0.91 0.00 0.00 162 E 8.40 4.73 0.00 1.98 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 2.22 1.87 0.00 *163 F 8.84 4.85 0.00 2.05 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 0.00 0.00 0.00 164 R 8.65 4.64 0.00 1.45 1.17 0.00 3.25 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 165 N 8.90 4.74 0.00 2.44 2.57 0.00 0.00 6.28 8.06 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 0.00 166 D 8.16 4.75 0.00 2.62 2.44 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 0.00 167 K 7.87 4.55 0.00 1.77 0.95 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 168 T 8.41 4.61 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 0.00 169 G 8.16 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.20 3.60 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 0.00 171 I 8.40 3.78 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 0.73 0.91 0.00 0.00 *172 H 7.77 4.80 0.00 2.86 2.85 0.00 7.16 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 0.00 173 A 8.40 4.66 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 0.00 174 P 0.00 3.76 0.00 2.24 1.06 0.00 3.89 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 1.85 1.56 0.00 175 V 8.53 2.89 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 0.85 0.00 0.00 0.93 0.00 0.00 176 G 7.86 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 0.00 0.00 0.00 0.00 177 K 8.49 4.72 0.00 1.55 1.60 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.01 7.81 178 A 8.31 4.75 1.18 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 0.00 179 S 8.40 4.23 0.00 3.66 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 *180 F 7.90 5.16 0.00 2.22 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 0.00 0.00 0.00 181 P 0.00 4.68 0.00 2.08 1.91 0.00 3.76 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 1.94 1.59 0.00 182 P 0.00 5.23 0.00 2.02 1.81 0.00 3.86 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 1.71 1.43 0.00 183 E 8.06 5.83 0.00 2.09 1.84 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 2.00 1.59 0.00 184 K 8.92 4.08 0.00 1.77 1.32 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.00 7.81 185 L 9.51 5.36 0.00 1.65 1.55 0.92 0.80 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 0.00 186 A 8.07 4.67 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 0.00 187 D 8.10 4.71 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.44 4.84 0.00 2.78 2.68 0.00 0.00 6.87 7.60 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 0.00 189 I 7.66 4.16 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 0.58 0.91 0.00 0.00 190 R 7.90 4.51 0.00 1.73 1.92 0.00 3.21 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 191 A 8.05 4.26 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 *192 F 8.19 4.75 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 I 7.54 4.37 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 1.22 0.91 0.00 0.00 194 R 7.77 4.26 0.00 1.77 1.95 0.00 3.24 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 195 A 8.03 4.14 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 0.00 196 L 7.95 4.29 0.00 1.59 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 197 E 7.87 4.49 0.00 2.00 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 2.26 2.13 0.00 198 A 8.50 4.56 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 *199 H 8.22 4.88 0.00 2.88 2.87 0.00 7.16 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 K 8.22 4.49 0.00 1.74 1.66 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.96 7.81 201 P 0.00 4.60 0.00 2.08 1.91 0.00 3.70 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 1.89 1.57 0.00 202 E 8.05 4.32 0.00 1.98 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 2.21 1.87 0.00 203 G 7.37 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 0.00 204 A 8.72 4.65 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 0.00 205 K 8.80 4.39 0.00 1.74 0.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.00 7.81 206 G 9.04 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 0.00 207 T 8.42 4.24 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 *208 F 8.04 4.83 0.00 2.23 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 0.00 209 L 9.05 3.84 0.00 1.78 1.83 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 210 R 7.26 4.94 0.00 1.53 1.71 0.00 3.28 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 211 S 7.99 4.71 0.00 3.33 3.64 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 0.00 212 V 7.99 4.69 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 0.74 0.00 0.00 0.93 0.00 0.00 *213 Y 9.90 3.79 0.00 2.44 2.44 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 0.00 214 V 7.57 4.37 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 0.65 0.00 0.00 0.93 0.00 0.00 215 T 8.89 3.88 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 0.00 216 T 7.02 4.84 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 0.00 217 T 7.26 4.12 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 0.00 218 M 7.90 4.65 0.00 1.75 1.86 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 2.42 1.93 0.00 219 G 8.73 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 0.00 0.00 0.00 220 P 0.00 5.00 0.00 1.81 1.77 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 1.71 1.44 0.00 221 S 9.15 4.47 0.00 3.56 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 0.00 222 V 8.31 3.61 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 0.00 223 R 7.93 4.57 0.00 1.76 1.70 0.00 3.26 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 *224 I 8.20 4.04 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 0.97 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.