NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 T 4.2708 8.1749 110.9211 62.0820 70.0485 172.1182 40 H 4.8124 8.0369 117.7644 54.0136 33.4946 171.5298 41 D 4.8820 8.4506 120.4064 54.7111 43.2080 174.6536 42 S 5.0714 8.2070 112.5717 58.0495 66.8416 173.7056 43 V 5.0477 8.8995 112.8573 60.0247 35.6806 174.8584 44 T 5.3078 8.9246 112.8324 60.1192 72.6349 173.1211 45 V 4.9780 8.8460 122.5200 60.2716 34.7363 174.1699 46 L 4.5860 9.4476 128.1408 53.6350 43.4052 174.9541 47 L 4.8631 8.4412 126.8517 53.6598 43.8822 175.3760 48 F 5.1958 8.9721 125.6241 56.7505 41.7388 173.9611 49 N 5.5556 8.8147 126.6618 51.1227 38.1130 175.3890 50 S 3.5459 8.0391 121.1606 60.7652 63.3151 176.6765 51 S 4.4434 7.7438 114.4042 59.8717 62.3980 174.7912 52 R 4.4480 8.0184 117.0225 55.2783 33.2189 175.7501 53 R 3.7809 7.6625 116.0857 57.0511 27.8929 174.9792 54 S 5.2226 6.9364 114.4678 56.9692 68.4960 174.2503 55 L 4.9704 8.6654 122.1870 53.3994 43.8353 175.7488 56 V 4.3334 8.3133 123.6003 61.7811 32.4569 174.8601 57 L 4.9963 9.1045 127.0919 53.0801 46.5751 175.4696 58 V 4.9389 8.6485 111.8211 59.7895 35.7469 175.3009 59 K 5.0708 9.1263 122.8241 55.2201 34.5001 175.3474 60 Q 4.8863 8.9212 123.7172 54.6505 33.2148 172.9189 61 F 4.8160 8.1583 128.9594 57.5617 40.6306 174.9039 62 R 4.4439 8.3482 125.4642 53.7060 32.1150 174.9406 63 P 4.2937 0.0000 0.0000 65.7282 31.4253 178.2405 64 A 3.9276 8.0399 118.8966 55.4707 18.1429 179.7640 65 V 3.5300 7.6039 116.0264 65.9224 31.5408 177.5107 66 Y 3.9245 7.6842 118.7108 60.7271 38.5464 177.6137 67 A 4.1180 8.8418 121.2686 55.2841 18.4680 179.6334 68 G 3.6342 7.9581 103.1016 48.0589 0.0000 175.6347 69 E 4.1139 8.2377 119.4848 57.3869 29.9270 177.7044 70 V 4.1099 7.5559 119.0499 62.2666 32.3120 175.9877 71 E 4.4205 7.7298 112.9617 56.6058 34.4576 175.0863 *97 A 4.0781 7.7533 120.9552 52.9238 19.7729 177.0473 98 G 3.7245 8.6163 105.9113 45.5400 0.0000 173.1219 99 V 4.7750 7.6213 120.0196 61.5916 32.6883 174.8115 100 T 4.8125 9.1488 119.2826 59.7369 71.4083 173.5565 101 V 4.4247 8.5527 126.0734 62.8625 32.8424 174.6557 102 E 4.8744 9.5150 126.3320 54.3692 34.4122 174.7846 103 L 4.3950 8.5525 121.6845 54.6190 42.7172 176.7101 104 C 4.2139 8.7845 122.5657 60.5076 32.3541 172.3434 105 A 5.0877 9.0647 126.8693 51.0109 22.6204 174.8578 106 G 4.0157 8.7276 104.8915 46.0878 0.0000 173.1770 107 L 4.8349 8.5892 120.5610 53.2907 43.2632 177.9649 108 V 4.0207 7.5393 122.0969 61.8050 29.9288 175.5545 109 D 4.2008 7.8611 123.2572 56.8963 41.4564 177.2525 110 Q 4.0961 7.8263 120.3512 54.3930 29.3393 173.1759 111 P 4.3419 0.0000 0.0000 65.1090 31.5352 176.5838 112 G 4.3125 9.0897 115.9764 45.7908 0.0000 173.0622 113 L 4.8510 7.5884 117.1825 51.5202 45.9811 177.6904 114 S 4.2266 8.4310 119.4413 58.6929 64.7794 175.5535 115 L 4.0315 8.6656 125.5358 58.3620 41.3940 179.9765 116 E 3.3799 8.1255 116.4172 59.1429 29.2515 178.9114 117 E 3.8925 7.8673 119.2944 59.1931 29.6613 178.9754 118 V 3.5688 7.8827 118.1189 65.8751 31.4939 177.8045 119 A 4.0459 8.0829 120.4723 55.5229 18.1299 179.5096 120 C 4.0844 7.7657 114.9958 62.5834 28.1722 175.8213 121 K 3.8957 8.1567 121.4691 60.1159 31.6530 178.5481 122 E 4.1158 8.3629 118.1397 59.0419 29.4065 178.8716 123 A 4.0455 8.6188 121.4039 54.9890 18.4657 179.5863 124 W 4.4534 8.5371 128.1049 60.2740 30.7435 178.3715 125 E 3.8578 8.5789 117.5350 59.0240 28.9615 178.7193 126 E 4.2252 8.2648 117.5177 58.5006 30.1603 177.2742 127 C 4.4891 8.0575 113.0191 58.6432 30.2415 173.4928 128 G 3.3949 7.7531 107.8789 46.9853 0.0000 172.7948 129 Y 5.2225 8.0435 115.5332 56.0175 41.8646 176.0311 130 H 4.7706 9.7299 124.8167 56.1396 30.6042 174.4742 131 L 4.8637 8.3275 123.9773 52.8958 45.7883 175.5013 132 A 4.5950 8.3742 124.5526 49.6526 20.9881 176.2113 133 P 4.1308 0.0000 0.0000 65.5802 31.6544 178.9336 134 S 4.1425 7.9835 111.5187 61.2780 62.9295 175.3309 135 D 4.4347 8.1241 120.4002 56.3501 40.8016 176.8098 136 L 4.4142 7.2098 118.5139 54.1916 42.5240 176.0585 137 R 4.7838 8.6566 121.2164 54.4742 33.3439 174.3294 138 R 4.3972 9.0425 126.9984 56.8209 30.3776 175.5418 139 V 3.9538 8.2078 125.7552 64.2665 33.0157 174.9820 140 A 4.5558 7.3496 119.1193 51.9125 22.7199 174.7467 141 T 4.7603 8.4204 113.1161 61.2623 70.4853 172.1397 142 Y 5.1681 8.0717 125.6603 56.4093 42.0203 172.9222 143 W 5.1696 9.2103 118.3339 55.1297 32.2868 175.7125 144 S 4.7471 8.5878 117.7665 56.8817 66.6444 174.9270 145 G 3.7544 8.8156 110.8161 47.2454 0.0000 174.7681 *149 T 4.2062 8.5824 119.7063 61.0076 68.5053 173.0450 150 G 4.2715 7.9535 108.0051 44.1674 0.0000 172.9967 151 S 4.6705 8.6024 116.5080 55.6841 65.3796 173.4548 152 R 3.3575 8.1711 127.1081 56.4727 31.1842 174.7489 153 Q 4.6298 8.1831 125.0749 54.7793 33.2377 173.3705 154 T 4.4925 8.1678 120.9392 61.8006 72.3719 172.4215 155 M 4.8942 8.5209 126.2245 53.3224 34.4870 174.6887 156 F 5.5049 9.1569 123.5951 55.9239 43.4541 173.4078 157 Y 5.6282 9.0706 121.4691 55.4357 42.5610 173.9667 158 T 4.3547 7.3680 117.6235 60.5492 71.2002 171.5805 159 E 4.9109 8.3649 128.2688 55.6782 30.7645 175.6400 160 V 4.9070 9.1445 119.6995 59.8026 36.4287 174.1263 161 T 5.0376 8.9706 111.5378 59.8024 72.2989 174.7256 162 D 4.3696 8.7501 119.9003 57.0075 40.8688 179.0769 163 A 4.0485 8.0143 120.9253 54.6967 18.6278 177.8701 164 Q 4.4426 8.4263 113.9634 56.1258 29.1380 174.6790 165 R 4.3297 7.5163 119.6713 53.5231 31.4700 175.6262 166 S 4.3718 8.4342 122.0178 58.7453 63.9772 178.1039 *176 G 3.8674 8.7880 117.0402 47.6548 0.0000 169.3405 177 E 4.6282 8.5356 123.0285 56.2480 31.8390 176.1716 178 L 4.7457 8.0825 114.9034 54.7525 42.8264 174.5784 179 I 4.9130 7.7924 120.5923 58.8994 40.5987 174.6751 180 E 4.6861 8.8070 128.3123 53.8933 31.5003 175.6201 181 V 4.1978 8.5273 126.9562 62.4071 32.3048 175.6738 182 V 4.5636 9.3272 121.8505 61.6341 35.4136 173.4711 183 H 5.1855 8.8965 123.1848 53.9022 31.3861 172.9417 184 L 4.4247 8.6158 126.3350 52.3425 43.6834 173.9522 185 P 4.6735 0.0000 0.0000 62.3531 32.2250 176.9446 186 L 3.8156 8.8490 125.9922 58.5636 42.2031 178.6853 187 E 3.8607 8.3374 117.3879 59.3798 29.6507 178.6828 188 G 4.1179 7.9140 103.1629 44.6033 0.0000 175.4994 189 A 4.0009 8.1914 125.0223 55.0355 18.5741 180.4682 190 Q 3.9194 8.1016 117.3115 59.2515 29.2738 177.7757 191 A 4.0233 8.1656 121.3679 55.3437 18.0731 179.2464 192 F 4.0671 7.9744 117.3868 61.5059 39.6289 176.7341 193 A 3.7904 8.1970 119.2949 55.1888 18.1651 178.7616 194 D 4.6799 7.6769 115.3037 55.1312 41.3316 176.0784 195 D 4.3145 7.6163 118.9015 53.7245 40.5273 174.6119 196 P 4.4390 0.0000 0.0000 63.9973 31.8431 176.9994 197 D 4.3792 8.4262 118.7722 55.7389 40.9645 176.0792 198 I 4.2737 7.0030 120.4665 58.5265 37.7652 173.6510 199 P 4.3178 0.0000 0.0000 63.1940 32.1218 175.9445 200 K 5.3237 8.7946 122.3034 53.8011 36.7387 175.0782 201 T 4.5557 8.1918 110.3501 59.9693 71.4077 175.3472 202 L 4.0378 8.7476 123.8803 58.3409 41.8092 179.1488 203 G 3.8886 8.2144 105.0812 48.2056 0.0000 175.3338 204 V 3.6477 7.6656 121.0485 65.5975 31.5155 178.2139 205 I 3.7491 7.6775 119.0465 64.3769 36.9020 178.2271 206 F 4.6075 9.0657 121.9849 61.5557 39.2581 176.7385 207 G 3.9750 9.0832 106.3293 48.4393 0.0000 175.4949 208 V 3.6675 8.7872 121.2281 65.0863 31.6093 178.3995 209 S 4.1725 8.1398 112.9010 60.9364 62.4033 175.6782 210 W 4.1180 8.9172 132.2115 60.6489 30.3477 177.0083 211 F 3.1428 8.4451 120.1430 61.7159 38.4597 177.1390 212 L 4.2376 7.6750 117.9946 57.6043 41.5418 179.4014 213 S 4.2154 7.5807 112.9014 60.6104 63.4835 175.7320 214 Q 3.9600 7.4694 119.9963 55.8981 29.4040 176.8370 215 V 3.5647 6.9475 117.4610 64.1334 32.7235 177.2486 216 A 3.7131 6.8847 119.9836 54.6808 17.8666 177.6562 217 P 4.1746 0.0000 0.0000 65.6308 31.4493 177.6247 218 N 4.5265 7.8230 114.1031 53.5278 38.9652 174.7863 219 L 4.5162 6.9759 120.3724 53.1535 43.8562 176.3562 220 D 4.5279 8.4705 118.2031 54.9443 40.9206 176.7917 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 39 T 8.17 4.27 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 1.20 0.00 0.00 40 H 8.04 4.81 0.00 3.08 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.45 4.88 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 5.07 0.00 3.87 3.89 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 0.00 0.00 0.00 43 V 8.90 5.05 2.25 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 0.86 0.00 0.00 1.03 0.00 0.00 44 T 8.92 5.31 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 1.26 0.00 0.00 45 V 8.85 4.98 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 0.79 0.00 0.00 1.02 0.00 0.00 46 L 9.45 4.59 0.00 1.84 1.80 0.99 0.81 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 47 L 8.44 4.86 0.00 1.44 1.28 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.97 5.20 0.00 3.59 3.34 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 49 N 8.81 5.56 0.00 2.70 2.59 0.00 0.00 6.80 8.20 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 50 S 8.04 3.55 0.00 4.07 4.12 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 51 S 7.74 4.44 0.00 4.03 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 52 R 8.02 4.45 0.00 1.67 1.84 0.00 3.24 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 53 R 7.66 3.78 0.00 1.96 2.12 0.00 3.17 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 54 S 6.94 5.22 0.00 3.72 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.67 4.97 0.00 1.47 1.49 0.60 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.31 4.33 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 0.65 0.00 0.00 0.59 0.00 0.00 57 L 9.10 5.00 0.00 1.47 1.65 0.80 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.65 4.94 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 0.72 0.00 0.00 0.98 0.00 0.00 59 K 9.13 5.07 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.38 7.81 60 Q 8.92 4.89 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 61 F 8.16 4.82 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.35 4.44 0.00 1.51 1.70 0.00 3.35 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 63 P 0.00 4.29 0.00 2.21 2.24 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 64 A 8.04 3.93 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 65 V 7.60 3.53 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 1.06 0.00 0.00 0.87 0.00 0.00 66 Y 7.68 3.92 0.00 3.03 3.18 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 67 A 8.84 4.12 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 68 G 7.96 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 69 E 8.24 4.11 0.00 1.96 1.90 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 2.30 2.42 0.00 70 V 7.56 4.11 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 0.77 0.00 0.00 0.30 0.00 0.00 71 E 7.73 4.42 0.00 2.10 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 2.20 2.43 0.00 *97 A 7.75 4.08 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 98 G 8.62 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 0.00 0.00 0.00 99 V 7.62 4.77 2.18 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 0.92 0.00 0.00 1.13 0.00 0.00 100 T 9.15 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 1.19 0.00 0.00 101 V 8.55 4.42 2.35 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 1.09 0.00 0.00 1.07 0.00 0.00 102 E 9.52 4.87 0.00 1.89 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 2.25 2.49 0.00 103 L 8.55 4.40 0.00 1.59 1.66 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.78 4.21 0.00 3.03 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 0.00 105 A 9.06 5.09 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 0.00 106 G 8.73 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 0.00 107 L 8.59 4.83 0.00 1.54 1.61 0.97 0.89 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 0.00 108 V 7.54 4.02 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 0.75 0.00 0.00 0.91 0.00 0.00 109 D 7.86 4.20 0.00 2.67 2.66 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 0.00 110 Q 7.83 4.10 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 111 P 0.00 4.34 0.00 2.21 2.06 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 112 G 9.09 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 0.00 113 L 7.59 4.85 0.00 1.57 1.51 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.43 4.23 0.00 3.82 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 0.00 115 L 8.67 4.03 0.00 1.88 2.02 0.92 0.84 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 0.00 116 E 8.13 3.38 0.00 1.81 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 2.24 2.20 0.00 117 E 7.87 3.89 0.00 2.17 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 2.34 2.30 0.00 118 V 7.88 3.57 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 1.07 0.00 0.00 0.99 0.00 0.00 119 A 8.08 4.05 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 0.00 120 C 7.77 4.08 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.16 3.90 0.00 1.93 2.07 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.53 1.57 7.81 122 E 8.36 4.12 0.00 2.09 2.18 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 2.56 2.60 0.00 123 A 8.62 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.54 4.45 0.00 3.45 3.31 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 0.00 125 E 8.58 3.86 0.00 2.00 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 0.00 2.54 2.79 0.00 126 E 8.26 4.23 0.00 2.17 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 2.32 2.49 0.00 127 C 8.06 4.49 0.00 3.35 3.19 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 0.00 128 G 7.75 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 0.00 0.00 0.00 129 Y 8.04 5.22 0.00 2.92 2.89 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 0.00 0.00 0.00 130 H 9.73 4.77 0.00 3.18 3.33 0.00 5.89 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 0.00 131 L 8.33 4.86 0.00 1.48 1.42 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.37 4.60 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 0.00 133 P 0.00 4.13 0.00 2.10 2.01 0.00 3.54 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 134 S 7.98 4.14 0.00 3.95 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 0.00 135 D 8.12 4.43 0.00 2.77 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 0.00 136 L 7.21 4.41 0.00 1.37 1.33 0.47 1.13 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 0.00 137 R 8.66 4.78 0.00 2.00 2.09 0.00 3.33 0.00 0.00 3.56 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 138 R 9.04 4.40 0.00 2.04 1.88 0.00 3.07 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 139 V 8.21 3.95 1.74 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 -0.55 0.00 0.00 0.14 0.00 0.00 140 A 7.35 4.56 1.36 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 0.00 0.00 141 T 8.42 4.76 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 1.23 0.00 0.00 142 Y 8.07 5.17 0.00 3.16 3.05 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 0.00 143 W 9.21 5.17 0.00 3.27 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 0.00 144 S 8.59 4.75 0.00 3.81 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 0.00 145 G 8.82 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 T 8.58 4.21 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 1.28 0.00 0.00 150 G 7.95 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 0.00 0.00 0.00 0.00 151 S 8.60 4.67 0.00 3.89 3.65 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 0.00 152 R 8.17 3.36 0.00 1.19 1.61 0.00 2.92 0.00 0.00 2.96 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 153 Q 8.18 4.63 0.00 1.80 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 1.57 2.03 0.00 154 T 8.17 4.49 3.80 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 0.69 0.00 0.00 155 M 8.52 4.89 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.16 0.00 156 F 9.16 5.50 0.00 2.97 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 0.00 157 Y 9.07 5.63 0.00 3.12 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 0.00 158 T 7.37 4.35 4.09 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 1.07 0.00 0.00 159 E 8.36 4.91 0.00 2.14 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 2.34 2.67 0.00 160 V 9.14 4.91 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 0.59 0.00 0.00 0.65 0.00 0.00 161 T 8.97 5.04 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 1.22 0.00 0.00 162 D 8.75 4.37 0.00 2.76 2.75 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 0.00 0.00 0.00 0.00 163 A 8.01 4.05 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 0.00 164 Q 8.43 4.44 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.74 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 165 R 7.52 4.33 0.00 1.50 1.69 0.00 3.11 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.85 0.00 166 S 8.43 4.37 0.00 3.49 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 *176 G 8.79 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 0.00 0.00 0.00 177 E 8.54 4.63 0.00 1.98 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 2.30 2.25 0.00 178 L 8.08 4.75 0.00 1.66 1.50 0.87 0.90 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 0.00 179 I 7.79 4.91 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.98 0.00 0.00 180 E 8.81 4.69 0.00 2.04 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 2.20 2.22 0.00 181 V 8.53 4.20 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 1.03 0.00 0.00 182 V 9.33 4.56 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 0.86 0.00 0.00 0.99 0.00 0.00 183 H 8.90 5.19 0.00 2.98 3.18 0.00 5.91 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 0.00 184 L 8.62 4.42 0.00 1.43 1.35 0.56 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 185 P 0.00 4.67 0.00 2.22 1.97 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 186 L 8.85 3.82 0.00 1.83 1.75 0.56 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 187 E 8.34 3.86 0.00 1.99 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 0.00 2.33 2.38 0.00 188 G 7.91 4.12 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 0.00 189 A 8.19 4.00 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 0.00 190 Q 8.10 3.92 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 191 A 8.17 4.02 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 0.00 192 F 7.97 4.07 0.00 3.10 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 3.79 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 0.00 194 D 7.68 4.68 0.00 2.66 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 0.00 195 D 7.62 4.31 0.00 2.65 2.61 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 0.00 0.00 0.00 0.00 196 P 0.00 4.44 0.00 2.18 2.10 0.00 3.78 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 1.95 1.95 0.00 197 D 8.43 4.38 0.00 2.83 2.75 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 0.00 0.00 0.00 0.00 198 I 7.00 4.27 1.73 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 1.07 0.00 0.00 199 P 0.00 4.32 0.00 2.07 1.98 0.00 3.55 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 200 K 8.79 5.32 0.00 1.53 1.72 0.00 1.54 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.29 7.81 201 T 8.19 4.56 4.28 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 1.24 0.00 0.00 202 L 8.75 4.04 0.00 1.75 1.69 0.89 0.91 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 0.00 203 G 8.21 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 204 V 7.67 3.65 2.32 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 1.29 0.00 0.00 1.11 0.00 0.00 205 I 7.68 3.75 2.05 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 1.40 0.67 0.97 0.00 0.00 206 F 9.07 4.61 0.00 2.92 3.21 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 0.00 207 G 9.08 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 0.00 208 V 8.79 3.67 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 1.07 0.00 0.00 1.11 0.00 0.00 209 S 8.14 4.17 0.00 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 0.00 210 W 8.92 4.12 0.00 2.66 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 0.00 211 F 8.45 3.14 0.00 3.27 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 0.00 212 L 7.67 4.24 0.00 1.96 1.74 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 213 S 7.58 4.22 0.00 3.96 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 0.00 214 Q 7.47 3.96 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 215 V 6.95 3.56 0.67 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 0.17 0.00 0.00 -0.23 0.00 0.00 216 A 6.88 3.71 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 0.00 217 P 0.00 4.17 0.00 2.12 2.10 0.00 3.32 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 218 N 7.82 4.53 0.00 2.70 2.82 0.00 0.00 6.95 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 0.00 219 L 6.98 4.52 0.00 1.63 1.65 0.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 220 D 8.47 4.53 0.00 2.71 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 * Residues marked with a * may have inaccurate shift predictions.