NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5901 8.4098 120.0365 54.9081 43.3175 175.1546 8 S 4.6310 8.0857 114.2817 55.3365 65.5558 171.9818 9 A 3.9181 8.1868 120.4780 56.5738 18.5494 180.6889 10 Q 4.0415 7.8919 114.0998 58.4279 29.3979 178.3170 11 E 3.9266 7.9275 119.6542 59.1898 29.5070 178.6965 12 A 4.3427 7.9491 120.7869 55.5596 18.5223 179.9256 13 V 3.6127 7.6007 116.5211 66.0324 31.5830 178.1744 14 I 3.6561 8.1313 120.0266 64.3941 36.9868 177.7978 15 E 3.7527 8.3710 119.9707 59.2936 29.2399 178.5251 16 A 4.0754 7.9768 120.6230 55.4829 18.4228 179.8522 17 K 3.9825 8.0753 116.5743 59.4918 32.0048 179.8986 18 R 3.9103 8.0566 118.5628 59.2505 29.8875 178.5692 19 Y 4.0035 8.0289 116.6241 60.9892 37.8667 178.6027 20 L 3.7417 7.6659 119.8556 58.0563 41.7173 179.5067 21 N 4.3323 8.2066 116.1554 56.2604 38.3483 177.1440 22 N 4.2662 8.5004 118.1107 56.3580 38.6598 177.2623 23 A 4.0232 8.1232 122.0146 55.1327 18.3789 179.8850 24 K 4.1682 8.1801 117.0618 59.6730 32.1052 179.2915 25 D 4.3603 8.4948 119.5994 57.4429 40.7530 178.9238 26 I 3.6721 8.0837 120.5193 64.3766 37.1518 178.5418 27 L 3.7692 7.8380 119.6884 57.6100 41.1698 179.5231 28 R 3.9590 8.0104 117.6492 59.6410 30.1542 177.8398 29 D 4.5597 8.3407 117.3309 55.7106 40.9628 177.3532 30 K 4.2546 8.4044 116.4538 55.5649 34.2340 178.2952 31 G 3.3017 8.2180 108.5249 46.4467 0.0000 173.6144 32 G 3.8285 7.7780 108.3600 46.0299 0.0000 174.1395 33 K 4.2412 8.1396 118.0221 56.6155 33.1030 175.4362 34 E 4.5754 9.0408 125.7944 55.8621 33.0325 175.6050 35 D 4.5123 9.8612 123.6763 55.5520 38.5496 174.8209 36 G 3.7050 8.1975 105.2247 45.3502 0.0000 173.1928 37 F 4.8878 7.9613 118.5193 55.2939 42.0132 173.9637 38 Y 4.6272 8.4290 123.5484 58.2100 37.3921 176.0440 39 Q 4.1386 8.7060 125.1568 57.3688 29.5115 176.0942 40 D 4.7480 8.0835 118.3850 52.6397 40.4591 176.5464 41 S 4.2181 8.6706 123.8550 61.3806 62.6878 176.5109 42 K 3.8099 7.8998 119.9444 60.1278 32.2716 178.2395 43 Y 4.2879 7.5218 116.3236 60.1790 38.0927 177.6914 44 V 3.7833 7.8273 119.1545 65.7536 31.5694 178.3937 45 K 4.2548 8.0548 114.4323 57.1290 31.4434 178.5608 *47 A 4.3388 7.9949 124.2734 52.3270 20.5587 180.1030 48 G 3.7664 8.4578 102.7642 48.3533 0.0000 175.4065 49 H 4.2925 8.7214 121.1675 59.2265 29.8910 177.5831 50 T 4.0941 8.0770 116.9248 66.5877 68.4391 176.4097 51 A 3.8575 8.2866 122.8418 55.2909 18.3740 178.8549 52 Y 4.1526 8.2976 118.2271 61.2817 38.7427 178.7381 53 S 3.9689 8.5211 116.2453 61.2023 62.7821 177.0132 54 G 3.0378 7.5175 108.6125 47.3795 0.0000 175.9074 55 V 3.5317 7.4755 120.7997 65.8427 31.6140 178.1698 56 L 3.5826 7.5562 118.6092 57.3424 41.1378 179.3884 57 F 3.8519 8.3108 120.7845 61.1094 39.2940 176.8326 58 A 4.1307 8.0741 120.3646 55.5400 18.2206 179.7130 59 L 4.1064 8.1807 117.3353 58.0402 41.4496 179.4381 60 D 4.6580 8.5205 118.6683 57.5425 40.7575 178.1759 61 H 4.3600 7.8434 115.7014 58.6653 29.1764 176.8761 62 Y 4.1116 8.1822 120.2308 58.7384 38.6851 177.2314 63 F 4.3519 8.4664 117.7108 58.1322 38.7650 177.2396 64 G 4.1835 9.3681 114.2315 45.6766 0.0000 171.7919 65 K 4.3956 8.4984 120.1177 54.2015 33.7770 175.6293 66 K 4.5159 7.7864 124.6923 55.4421 34.1715 176.5175 67 T 4.0075 8.2214 118.6618 64.1028 69.3483 173.2317 68 K 3.5012 9.1930 125.8486 55.7354 29.3766 175.6210 69 G 3.9245 8.0630 107.3710 43.9126 0.0000 170.5775 70 R 3.7623 8.0774 118.3215 56.5222 30.2944 176.3609 71 K 4.0275 8.2745 123.3069 55.0473 31.4440 175.5286 72 D 5.1249 8.0724 125.8692 51.5762 42.2249 177.3553 73 V 4.0461 8.4631 117.6890 65.4593 31.0780 177.8089 74 D 4.3192 8.1360 119.1498 56.8078 40.5972 178.0646 75 W 3.8840 7.9787 127.4762 60.8320 30.6156 177.6366 76 Y 3.8085 7.6365 115.7709 60.7628 37.2171 178.6388 77 K 3.9435 8.3294 119.5308 59.5495 31.9735 179.2401 78 S 3.9346 7.8904 114.3206 61.7952 62.5675 176.4009 79 N 3.8911 6.9603 118.6578 56.1552 38.0514 177.6476 80 L 4.1934 7.6912 119.9989 57.5242 41.4330 179.2304 81 A 4.1098 7.6244 119.6888 54.2318 18.4037 178.6431 82 Q 4.2704 7.4972 114.0464 56.3966 29.1755 175.7244 83 Q 4.4692 7.5583 119.5063 56.9013 31.0822 175.7050 84 D 4.3108 7.5260 115.8011 52.3407 43.3689 175.4996 85 K 3.8758 8.4451 129.5854 59.2269 32.3587 178.1190 86 K 3.8010 8.0958 119.5180 59.8284 31.9402 178.6333 87 I 3.4988 7.4823 119.6633 63.8605 36.7868 177.7248 88 L 3.9441 7.8864 121.3953 58.6804 41.8955 178.7282 89 N 4.3246 8.3508 115.9892 56.8802 38.4061 177.6289 90 T 3.9151 7.8909 117.0080 66.4450 68.5309 176.6470 91 F 4.2200 8.4499 122.9412 61.3423 39.4251 177.3950 92 V 3.3711 8.2289 118.3518 65.7812 31.1806 177.9016 93 S 4.0391 8.1345 112.9227 61.4064 62.2926 176.1697 94 V 3.6026 8.0410 121.2589 66.1637 31.2176 177.1106 95 Y 3.7393 8.2132 119.3608 60.7444 38.5307 178.1134 96 E 3.6644 8.3073 119.2644 59.5750 29.3929 179.4908 97 Q 3.9783 8.1000 116.8075 58.3163 28.9511 177.9436 98 L 4.3657 8.0273 118.8632 57.4577 42.3177 178.3261 99 H 4.0099 7.5511 117.5074 58.4393 29.6558 176.1879 100 L 4.0269 7.2400 119.8503 56.6001 42.3262 178.6852 101 V 3.7556 7.9388 116.2235 65.0216 31.1947 177.1708 *103 A 4.4166 7.7858 119.6121 52.6408 20.5285 177.0173 104 Y 4.1922 7.5146 114.9534 59.6523 39.4972 176.5698 105 D 4.4465 8.3520 117.5606 54.7422 41.2817 177.4192 106 G 3.7897 8.2034 106.1123 46.0616 0.0000 172.8889 107 V 4.3178 7.9613 119.6976 60.8910 32.6970 176.3672 108 G 4.1360 8.4152 116.4453 43.2079 0.0000 169.0078 109 D 4.1253 8.1519 121.1422 53.7730 42.1055 175.2263 110 A 3.9555 8.1444 130.8807 55.4840 18.4570 179.0124 111 E 3.8042 7.8675 116.3544 59.3563 29.4898 179.6698 112 V 3.4946 7.4551 116.8878 65.8736 31.5946 178.0007 113 V 3.3134 7.9787 118.4694 65.9433 31.1632 177.7200 114 K 3.7836 8.1177 119.3015 59.5852 31.9870 178.6111 115 L 4.0857 7.8597 119.0008 57.8046 41.5584 179.7832 116 G 3.6731 8.3250 106.0278 47.8978 0.0000 175.8195 117 F 4.5793 8.6848 120.6709 60.4375 38.9070 177.6674 118 Q 4.1159 8.5589 118.0507 59.2583 28.6366 179.3433 119 R 3.9960 8.2626 118.7616 59.0406 30.0802 179.0103 120 A 4.0782 8.2272 120.6680 55.3480 18.3729 179.5519 121 E 3.9855 8.7215 117.4937 59.5690 29.4709 179.7465 122 I 3.7700 7.9264 120.0222 64.4540 37.1768 178.5531 123 I 3.8598 7.7352 120.4826 64.2142 36.8990 178.6147 124 I 3.7536 7.9745 120.7218 64.6729 37.0667 178.3577 125 D 4.4519 8.4259 119.6074 56.7334 40.4858 178.5982 126 W 4.0306 8.3627 129.4632 60.3395 30.8296 177.8520 127 V 2.4612 7.9954 118.0819 66.0525 30.5707 177.7845 128 E 3.8781 7.8327 117.8013 58.9178 29.5526 178.4380 129 R 3.9324 7.5512 117.8614 59.3878 30.2701 178.3472 130 R 3.7991 7.7607 116.7475 59.8346 30.1163 176.5014 131 L 4.0493 7.3909 123.2632 54.5877 41.9245 176.2357 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 7 L 8.41 4.59 0.00 1.79 1.79 1.03 0.78 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 8 S 8.09 4.63 0.00 4.05 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 9 A 8.19 3.92 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 10 Q 7.89 4.04 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 11 E 7.93 3.93 0.00 2.12 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 0.00 2.34 2.34 0.00 12 A 7.95 4.34 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 0.00 0.00 13 V 7.60 3.61 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 1.03 0.00 0.00 0.98 0.00 0.00 14 I 8.13 3.66 2.03 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 1.40 0.84 0.88 0.00 0.00 15 E 8.37 3.75 0.00 1.89 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 1.47 1.85 0.00 16 A 7.98 4.08 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.08 3.98 0.00 2.02 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 18 R 8.06 3.91 0.00 1.93 1.84 0.00 3.07 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 19 Y 8.03 4.00 0.00 3.08 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 20 L 7.67 3.74 0.00 1.76 1.59 0.57 0.65 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 21 N 8.21 4.33 0.00 2.71 2.84 0.00 0.00 7.10 6.45 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 22 N 8.50 4.27 0.00 2.94 2.84 0.00 0.00 6.89 7.73 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 23 A 8.12 4.02 1.32 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 24 K 8.18 4.17 0.00 2.00 1.97 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.80 1.66 7.81 25 D 8.49 4.36 0.00 2.92 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 26 I 8.08 3.67 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 1.03 0.00 0.00 27 L 7.84 3.77 0.00 1.76 1.12 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.01 3.96 0.00 1.98 2.10 0.00 3.27 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 29 D 8.34 4.56 0.00 2.64 2.63 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 30 K 8.40 4.25 0.00 1.09 0.74 0.00 1.10 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.99 0.79 7.81 31 G 8.22 3.30 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 0.00 32 G 7.78 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 33 K 8.14 4.24 0.00 1.60 1.69 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 0.76 7.81 34 E 9.04 4.58 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 35 D 9.86 4.51 0.00 2.87 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 36 G 8.20 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 0.00 0.00 0.00 37 F 7.96 4.89 0.00 3.00 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 38 Y 8.43 4.63 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.71 4.14 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 40 D 8.08 4.75 0.00 2.85 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 41 S 8.67 4.22 0.00 3.89 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 42 K 7.90 3.81 0.00 1.63 1.76 0.00 1.13 0.00 0.00 1.41 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.12 0.33 7.81 43 Y 7.52 4.29 0.00 3.18 3.03 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 44 V 7.83 3.78 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 1.19 0.00 0.00 1.04 0.00 0.00 45 K 8.05 4.25 0.00 1.95 1.84 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.60 7.81 *47 A 7.99 4.34 1.54 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 0.00 0.00 48 G 8.46 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 0.00 0.00 0.00 49 H 8.72 4.29 0.00 3.39 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.08 4.09 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 51 A 8.29 3.86 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 52 Y 8.30 4.15 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.52 3.97 0.00 4.02 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.52 3.04 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 55 V 7.48 3.53 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 1.12 0.00 0.00 0.97 0.00 0.00 56 L 7.56 3.58 0.00 1.57 1.47 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.31 3.85 0.00 2.95 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.07 4.13 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 0.00 0.00 59 L 8.18 4.11 0.00 1.83 2.18 0.61 1.09 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 60 D 8.52 4.66 0.00 2.72 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 61 H 7.84 4.36 0.00 3.07 3.36 0.00 5.66 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 62 Y 8.18 4.11 0.00 2.74 2.72 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 63 F 8.47 4.35 0.00 3.45 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 64 G 9.37 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 65 K 8.50 4.40 0.00 1.65 1.65 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.28 7.81 66 K 7.79 4.52 0.00 1.80 0.74 0.00 0.91 0.00 0.00 0.94 0.00 0.00 3.15 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.80 1.18 7.81 67 T 8.22 4.01 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 1.19 0.00 0.00 68 K 9.19 3.50 0.00 1.86 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.40 7.81 69 G 8.06 3.92 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 0.00 0.00 0.00 70 R 8.08 3.76 0.00 1.76 1.85 0.00 3.26 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 71 K 8.27 4.03 0.00 1.58 1.31 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.88 7.81 72 D 8.07 5.12 0.00 3.00 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 73 V 8.46 4.05 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 0.66 0.00 0.00 0.25 0.00 0.00 74 D 8.14 4.32 0.00 2.91 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 75 W 7.98 3.88 0.00 3.30 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.64 3.81 0.00 3.14 2.38 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 77 K 8.33 3.94 0.00 1.95 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.86 7.81 78 S 7.89 3.93 0.00 3.46 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 6.96 3.89 0.00 1.56 1.42 0.00 0.00 7.12 6.63 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 80 L 7.69 4.19 0.00 1.59 1.62 0.62 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.62 4.11 1.32 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 82 Q 7.50 4.27 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 83 Q 7.56 4.47 0.00 2.31 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 3.13 2.70 0.00 84 D 7.53 4.31 0.00 2.96 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.45 3.88 0.00 1.85 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.48 7.81 86 K 8.10 3.80 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 87 I 7.48 3.50 1.05 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.08 0.00 0.00 88 L 7.89 3.94 0.00 1.70 1.80 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.35 4.32 0.00 2.93 2.87 0.00 0.00 7.16 6.61 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 90 T 7.89 3.92 4.40 0.00 0.00 0.00 0.00 0.00 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 91 F 8.45 4.22 0.00 3.17 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 92 V 8.23 3.37 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 1.02 0.00 0.00 0.96 0.00 0.00 93 S 8.13 4.04 0.00 3.95 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 94 V 8.04 3.60 2.24 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 1.08 0.00 0.00 1.07 0.00 0.00 95 Y 8.21 3.74 0.00 2.51 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 96 E 8.31 3.66 0.00 2.15 1.93 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 2.60 2.53 0.00 97 Q 8.10 3.98 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 98 L 8.03 4.37 0.00 1.83 1.84 1.12 1.32 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 99 H 7.55 4.01 0.00 1.40 2.51 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.24 4.03 0.00 1.64 1.45 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.94 3.76 2.22 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 1.05 0.00 0.00 0.96 0.00 0.00 *103 A 7.79 4.42 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 0.00 104 Y 7.51 4.19 0.00 2.82 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.35 4.45 0.00 2.97 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 0.00 106 G 8.20 3.79 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 0.00 0.00 0.00 107 V 7.96 4.32 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 0.90 0.00 0.00 0.99 0.00 0.00 108 G 8.42 4.14 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 0.00 109 D 8.15 4.13 0.00 2.81 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 0.00 110 A 8.14 3.96 0.91 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 0.00 0.00 111 E 7.87 3.80 0.00 1.89 1.93 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 2.31 2.23 0.00 112 V 7.46 3.49 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 1.05 0.00 0.00 0.93 0.00 0.00 113 V 7.98 3.31 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 0.13 0.00 0.00 0.96 0.00 0.00 114 K 8.12 3.78 0.00 1.88 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 115 L 7.86 4.09 0.00 1.98 1.70 0.91 0.76 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 0.00 116 G 8.32 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 0.00 117 F 8.68 4.58 0.00 3.16 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 0.00 118 Q 8.56 4.12 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 119 R 8.26 4.00 0.00 2.07 2.03 0.00 3.31 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 120 A 8.23 4.08 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 0.00 121 E 8.72 3.99 0.00 2.25 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 2.35 2.54 0.00 122 I 7.93 3.77 2.07 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 1.72 1.24 0.93 0.00 0.00 123 I 7.74 3.86 2.10 0.00 0.00 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 1.54 1.07 0.99 0.00 0.00 124 I 7.97 3.75 2.02 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 1.78 0.82 0.93 0.00 0.00 125 D 8.43 4.45 0.00 2.81 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 0.00 126 W 8.36 4.03 0.00 3.45 3.36 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 0.00 127 V 8.00 2.46 2.16 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 0.82 0.00 0.00 0.81 0.00 0.00 128 E 7.83 3.88 0.00 1.99 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 2.28 2.28 0.00 129 R 7.55 3.93 0.00 1.94 1.86 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 130 R 7.76 3.80 0.00 0.92 1.74 0.00 3.16 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 131 L 7.39 4.05 0.00 1.72 1.52 1.06 0.89 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 * Residues marked with a * may have inaccurate shift predictions.