NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4608 8.1749 117.3744 63.4699 70.1151 172.9572 2 S 4.6226 9.4400 121.2082 55.0177 66.0988 171.6099 3 I 5.2446 8.1630 118.1348 59.6217 41.2166 174.0095 4 M 4.8626 8.8258 119.3312 54.4872 34.8289 173.1774 5 A 5.1862 8.4575 120.9401 50.2999 22.5980 175.6403 6 V 4.4759 8.9340 121.8473 61.1858 34.6096 174.8460 7 T 4.9199 8.7529 118.7292 61.7330 70.3530 173.8094 8 F 4.8929 8.9783 117.6762 55.3687 41.2036 174.6078 9 K 3.7520 9.0209 121.0316 60.0829 31.5788 177.0452 10 D 4.5826 7.4513 114.5103 53.8388 42.7025 177.5735 11 G 4.4180 5.3800 110.8763 45.3918 0.0000 175.6530 12 V 5.1708 8.0302 120.1365 60.4150 34.0165 172.0560 13 I 4.6640 8.9097 122.9150 59.6108 40.7432 174.2718 14 L 5.1367 8.5691 125.8110 53.1384 43.8461 176.0309 15 G 4.3475 9.1861 108.9952 45.0250 0.0000 171.0650 16 A 5.6474 8.4763 120.8407 51.8228 22.2500 175.8252 17 D 4.7918 8.5308 119.8806 52.1226 42.1978 176.0652 18 S 4.8648 8.3342 110.8865 58.2588 64.3763 172.8776 19 R 5.1084 8.4529 121.3033 55.7627 31.4975 175.2614 20 T 4.8078 8.7593 116.5921 60.0250 71.4745 173.0621 21 T 5.1145 8.6273 114.9617 60.0365 71.9195 174.0492 22 T 4.4607 8.6405 112.8107 60.5695 70.1959 174.6012 23 G 4.1314 8.3420 121.0193 46.8092 0.0000 173.5176 24 A 4.4335 8.6196 127.0126 52.1122 19.7396 176.7649 25 Y 4.3882 7.6238 117.6562 56.8369 39.5096 174.7093 26 I 4.1979 7.3700 127.6444 59.7934 36.5954 175.5377 27 A 3.9774 8.0956 129.9875 54.4102 18.7611 177.5364 28 N 4.7615 7.6379 111.8622 52.7075 41.8428 174.6860 29 R 4.4959 8.5690 121.1460 56.4583 30.3991 176.4906 30 V 4.5705 8.0696 112.6242 61.2243 32.4957 176.2147 31 T 3.9645 8.0841 116.6054 64.1775 69.2921 173.9021 32 D 4.8305 8.6415 124.2607 52.9675 42.3511 175.7796 33 K 4.3772 8.7184 125.2384 56.7730 33.7402 176.4270 34 L 4.5807 8.1547 121.1926 54.3571 42.0680 176.2330 35 T 4.4986 8.9311 122.1179 61.4938 70.8775 174.2137 36 R 2.9761 7.8754 127.1156 55.3233 30.3792 176.0672 37 V 4.1848 7.6340 117.8644 61.7877 33.7269 174.8370 38 H 4.6191 7.6959 117.4791 54.9261 32.5092 173.5567 39 D 4.5076 8.1802 122.5818 57.3962 40.6915 179.5556 40 K 4.8831 8.2403 116.3345 56.1024 33.1640 175.1437 41 I 5.1124 8.1138 120.2098 59.5977 40.0710 174.9178 42 W 5.5915 9.9261 126.5798 55.0860 33.7846 173.9370 43 C 5.3031 9.4268 115.0346 57.2669 33.2423 172.4709 44 C 5.3119 8.9802 117.7229 57.4059 30.4040 173.2107 45 R 5.0669 8.5980 122.1182 54.7498 32.2161 175.6572 46 S 4.4857 8.7748 116.0504 58.0950 66.5160 172.6826 47 G 3.9652 8.8801 105.4824 44.0699 0.0000 173.6191 48 S 4.1344 9.1046 117.6236 58.0307 63.1292 175.5754 49 A 3.9924 8.8477 129.8328 55.1104 18.2111 179.1333 50 A 3.9365 7.9620 118.7816 55.4030 18.4845 179.4249 51 D 4.2948 8.0948 117.5535 57.8680 40.9175 179.2493 52 T 3.9618 8.1615 110.3626 64.9084 68.6238 176.5904 53 Q 4.0077 8.1719 120.6467 58.6315 28.7342 178.4388 54 A 3.9817 8.0187 121.8275 55.0793 18.3729 179.7928 55 I 3.5865 8.0601 118.2053 64.4505 37.2268 178.3804 56 A 4.0065 8.3953 121.9307 55.4568 18.2805 179.2805 57 D 4.3402 8.3019 117.3982 57.7486 40.8025 179.3297 58 I 3.7969 7.7550 120.1945 64.2368 37.0135 178.6529 59 V 3.4024 8.0166 119.6073 65.8789 31.2693 177.7258 60 Q 4.0602 8.3995 119.7476 59.3270 28.8418 177.6692 61 Y 4.0743 7.8602 120.2438 61.2898 38.9054 177.9030 62 H 3.8157 8.5069 117.1647 58.8196 28.7993 177.7557 63 L 4.1030 8.2718 120.8936 57.1880 41.5430 179.0580 64 E 3.9710 8.0983 119.7789 59.0611 29.4248 178.5428 65 L 3.8138 7.6820 120.5144 57.9129 42.0456 178.2333 66 Y 3.9938 8.0311 119.5603 61.0912 38.5695 178.1693 67 T 4.5678 7.7801 116.4329 66.4433 68.6544 176.4908 68 S 4.1588 7.7809 115.5624 60.9719 62.7984 175.9531 69 Q 4.0054 6.9640 119.3167 56.7830 29.4245 176.1221 70 Y 4.4351 7.4219 114.6458 57.7728 39.3477 175.3506 *72 G 4.3947 7.5037 108.7573 45.2614 0.0000 172.0279 73 T 4.2052 8.5459 115.6322 63.4289 68.6806 172.5962 74 P 4.5522 0.0000 0.0000 61.9193 32.8377 176.7311 75 S 4.4005 8.1416 115.0686 58.3278 64.8173 175.4280 76 T 3.8819 8.3460 119.6509 66.7327 68.1850 176.3486 77 E 3.9482 8.1436 120.7510 59.7750 29.6862 178.9263 78 T 3.7787 7.8057 115.4064 66.4641 68.4178 176.5457 79 A 3.9341 7.9241 122.2338 55.1231 18.4049 179.5839 80 A 4.1401 8.2905 119.4170 55.2513 18.3161 179.8366 81 S 4.0321 8.1980 111.9286 61.5022 62.5852 176.6021 82 V 3.5112 7.7641 120.9228 65.8632 31.1835 177.9137 83 F 3.9820 8.1534 117.5542 60.3998 38.7858 177.4100 84 K 3.9506 8.3483 119.1467 59.6431 31.9639 178.0580 85 E 3.9924 8.4074 119.6435 59.5972 29.0041 178.9636 86 L 4.0379 7.8513 118.2361 58.0585 41.4867 179.3404 87 C 4.2933 8.2270 115.8328 62.7313 28.4617 175.3685 88 Y 4.2642 8.7874 121.4952 60.8742 38.3483 177.5018 89 E 3.8422 8.0224 118.6569 58.3547 30.0093 176.8778 90 N 5.0228 7.7111 115.1635 52.3539 39.2823 176.6130 91 K 3.8787 7.6711 120.3300 60.0821 32.7733 177.9321 92 D 4.2899 7.9570 119.1122 57.1688 40.9325 177.4633 *94 N 5.1298 7.8735 112.9694 52.5195 40.1456 173.6797 95 L 5.1058 7.3956 116.9474 53.4469 45.2312 176.9117 96 T 4.7117 8.4762 116.8918 61.5979 70.1595 171.5976 97 A 5.0267 8.3463 125.0211 49.8709 22.7137 175.5688 98 G 3.9780 9.5075 109.5559 44.6361 0.0000 171.3989 99 I 4.7343 8.2800 127.0101 59.0572 39.6225 175.3707 100 I 4.3470 8.3737 127.0304 59.5598 39.3124 174.6082 101 V 4.7395 8.2947 126.7590 61.1085 33.5864 174.7462 102 A 4.7601 9.4045 128.9695 50.6119 22.5699 175.2244 103 G 4.6011 8.6729 107.8905 45.0842 0.0000 171.0726 104 Y 4.7495 8.9044 121.8226 55.4699 40.8649 175.1658 105 D 4.3105 7.8725 124.8078 54.2185 41.5532 175.2515 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.17 4.46 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 2 S 9.44 4.62 0.00 3.71 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.16 5.24 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.92 0.00 0.00 4 M 8.83 4.86 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 A 8.46 5.19 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 6 V 8.93 4.48 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 1.02 0.00 0.00 0.93 0.00 0.00 7 T 8.75 4.92 4.27 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 1.24 0.00 0.00 8 F 8.98 4.89 0.00 3.25 3.12 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 9 K 9.02 3.75 0.00 1.82 2.05 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 10 D 7.45 4.58 0.00 2.49 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 11 G 5.38 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 12 V 8.03 5.17 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 0.76 0.00 0.00 1.03 0.00 0.00 13 I 8.91 4.66 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.82 0.00 0.00 14 L 8.57 5.14 0.00 1.43 1.57 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.19 4.35 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 0.00 16 A 8.48 5.65 1.20 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 17 D 8.53 4.79 0.00 2.68 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 18 S 8.33 4.86 0.00 3.97 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 19 R 8.45 5.11 0.00 1.82 2.01 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 20 T 8.76 4.81 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 21 T 8.63 5.11 4.45 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 1.17 0.00 0.00 22 T 8.64 4.46 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 1.26 0.00 0.00 23 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 24 A 8.62 4.43 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 25 Y 7.62 4.39 0.00 3.03 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 26 I 7.37 4.20 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.80 0.00 0.00 27 A 8.10 3.98 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 28 N 7.64 4.76 0.00 2.68 2.60 0.00 0.00 6.74 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.57 4.50 0.00 1.91 1.95 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 8.07 4.57 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.08 3.96 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 1.22 0.00 0.00 32 D 8.64 4.83 0.00 2.70 2.62 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 33 K 8.72 4.38 0.00 1.78 1.85 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.48 7.81 34 L 8.15 4.58 0.00 1.90 1.92 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.93 4.50 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 1.19 0.00 0.00 36 R 7.88 2.98 0.00 0.67 1.15 0.00 3.09 0.00 0.00 2.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 37 V 7.63 4.18 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 1.10 0.00 0.00 38 H 7.70 4.62 0.00 3.17 3.16 0.00 5.91 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.18 4.51 0.00 2.73 2.83 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 40 K 8.24 4.88 0.00 1.97 1.98 0.00 1.79 0.00 0.00 2.08 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.56 7.81 41 I 8.11 5.11 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 1.04 0.00 0.00 42 W 9.93 5.59 0.00 3.15 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 43 C 9.43 5.30 0.00 2.79 2.86 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 0.00 0.00 0.00 44 C 8.98 5.31 0.00 2.84 2.86 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 0.00 0.00 0.00 45 R 8.60 5.07 0.00 1.70 1.86 0.00 3.26 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 46 S 8.77 4.49 0.00 3.81 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 47 G 8.88 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 48 S 9.10 4.13 0.00 3.86 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 49 A 8.85 3.99 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 50 A 7.96 3.94 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 51 D 8.09 4.29 0.00 2.90 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 52 T 8.16 3.96 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 1.29 0.00 0.00 53 Q 8.17 4.01 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.02 3.98 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 55 I 8.06 3.59 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 1.05 0.00 0.00 56 A 8.40 4.01 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 57 D 8.30 4.34 0.00 2.92 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 58 I 7.75 3.80 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 1.01 0.00 0.00 59 V 8.02 3.40 1.64 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 0.60 0.00 0.00 -0.03 0.00 0.00 60 Q 8.40 4.06 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 61 Y 7.86 4.07 0.00 3.10 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 62 H 8.51 3.82 0.00 3.30 3.30 0.00 5.67 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 63 L 8.27 4.10 0.00 1.65 1.64 0.93 0.69 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 64 E 8.10 3.97 0.00 2.16 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 2.27 2.31 0.00 65 L 7.68 3.81 0.00 1.32 1.34 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.03 3.99 0.00 3.31 3.09 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 67 T 7.78 4.57 4.45 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 1.28 0.00 0.00 68 S 7.78 4.16 0.00 3.89 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 69 Q 6.96 4.01 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 70 Y 7.42 4.44 0.00 2.31 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 *72 G 7.50 4.39 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 0.00 73 T 8.55 4.21 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 1.29 0.00 0.00 74 P 0.00 4.55 0.00 1.75 1.24 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 75 S 8.14 4.40 0.00 4.04 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 76 T 8.35 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 1.27 0.00 0.00 77 E 8.14 3.95 0.00 2.00 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 2.36 2.39 0.00 78 T 7.81 3.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 79 A 7.92 3.93 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 80 A 8.29 4.14 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 81 S 8.20 4.03 0.00 3.97 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 82 V 7.76 3.51 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 0.78 0.00 0.00 0.88 0.00 0.00 83 F 8.15 3.98 0.00 3.33 3.07 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 84 K 8.35 3.95 0.00 1.93 2.04 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.59 7.81 85 E 8.41 3.99 0.00 2.30 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 2.46 0.00 86 L 7.85 4.04 0.00 1.98 1.72 0.83 0.77 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 87 C 8.23 4.29 0.00 3.05 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 88 Y 8.79 4.26 0.00 2.93 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 89 E 8.02 3.84 0.00 2.25 1.97 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 2.35 2.32 0.00 90 N 7.71 5.02 0.00 2.95 2.74 0.00 0.00 6.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.67 3.88 0.00 1.86 2.09 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.39 1.33 7.81 92 D 7.96 4.29 0.00 2.73 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 *94 N 7.87 5.13 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.40 5.11 0.00 1.73 1.55 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.48 4.71 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 1.22 0.00 0.00 97 A 8.35 5.03 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 98 G 9.51 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.28 4.73 1.57 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 1.36 0.91 0.26 0.00 0.00 100 I 8.37 4.35 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.89 0.00 0.00 101 V 8.29 4.74 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.49 0.00 0.00 102 A 9.40 4.76 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 0.00 103 G 8.67 4.60 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 0.00 0.00 0.00 104 Y 8.90 4.75 0.00 2.97 2.88 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 0.00 105 D 7.87 4.31 0.00 2.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.