NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 95 H 4.6950 8.4331 117.8614 54.4031 31.4990 172.2140 96 G 3.9648 7.5519 106.0712 42.9766 0.0000 171.0992 97 K 4.1885 8.1762 126.2567 58.5275 32.9895 177.2386 98 S 4.1635 8.1371 116.4669 61.5055 62.5480 176.0643 99 K 3.9500 8.0316 121.8147 59.4579 32.2453 178.0370 100 L 4.2041 8.0512 119.4344 58.9959 40.3838 179.3193 101 I 3.6636 7.7719 120.1509 63.9884 37.0371 178.1756 102 A 3.9498 7.8838 121.2170 54.7863 18.2554 178.0461 103 P 4.2110 0.0000 0.0000 65.5419 31.5442 178.8410 104 L 3.8380 7.6809 117.3692 57.6670 41.5059 179.4251 105 A 4.0435 8.0937 120.7272 55.0632 18.3114 179.4076 106 L 3.8674 7.7661 118.6548 58.3790 42.1885 179.2821 107 T 3.9758 8.0386 110.0594 64.8167 68.6505 176.4752 108 I 3.7392 7.7117 115.7631 63.7392 37.5624 178.2334 109 F 4.0116 8.4604 119.6014 60.0818 38.6799 178.0083 110 V 3.7288 8.1201 118.9094 64.5779 31.1115 178.2137 111 W 4.0763 8.4055 129.2832 60.1281 30.5536 178.3111 112 V 3.8084 7.9644 118.7851 64.9301 30.7870 178.0867 113 F 3.9892 8.4797 121.4620 60.7766 39.2236 176.7480 114 L 4.1173 8.5015 120.4652 58.5017 41.7134 178.9068 115 M 4.0619 7.9673 118.1493 58.5494 31.8310 178.4984 116 N 4.2115 7.9125 116.2035 56.0932 38.6201 177.1628 117 L 3.8347 8.1280 122.1980 58.2472 41.9364 178.6958 118 M 4.0001 7.8417 117.1117 58.8657 32.3573 177.6573 119 D 4.2868 7.8049 118.9278 57.1228 40.8682 178.4740 120 L 3.8974 8.0221 121.2056 57.9040 42.1075 178.7313 121 L 3.9784 7.9418 120.6087 57.6363 41.9706 177.3066 122 P 4.3912 0.0000 0.0000 65.8820 31.2828 178.1442 123 I 3.7242 7.3121 117.6102 63.9456 37.9660 177.2632 124 D 4.4955 8.1299 118.8175 57.2363 40.6572 178.1617 125 L 4.1896 7.8180 120.4567 57.9834 41.8576 178.6984 126 L 4.0326 7.7035 119.0614 57.8054 42.1211 176.1392 127 P 4.0330 0.0000 0.0000 64.9897 31.3369 175.4785 128 Y 4.7370 7.4232 116.0161 56.2741 38.6431 175.1760 129 I 4.5213 8.2667 117.7462 59.4037 39.9193 174.1554 130 A 4.7092 8.0959 121.7313 52.4885 23.7632 175.8476 131 E 4.7746 7.6197 112.3108 54.9428 32.6118 176.0352 132 H 4.6011 8.3599 118.1106 56.1813 30.4678 173.0448 133 V 4.1260 8.0179 125.2816 60.7946 31.8521 176.5858 134 L 3.6651 7.5007 123.4903 56.8775 39.5215 176.6451 135 G 3.6477 6.9785 104.7754 46.1333 0.0000 174.5925 136 L 3.8735 7.8652 120.3676 57.4666 42.5277 177.3396 137 P 4.1831 0.0000 0.0000 66.0364 31.1661 178.2436 138 A 3.9028 8.0240 118.3924 55.2368 18.1914 179.6450 139 L 3.8913 8.1032 116.8689 57.9598 41.8689 179.4244 140 R 4.0133 8.5682 118.9675 59.3466 29.9991 178.7302 141 V 3.5614 7.6497 118.1509 65.8441 31.3503 178.1025 142 V 3.5232 7.5066 117.6954 65.6676 31.2946 176.3414 143 P 4.3241 0.0000 0.0000 65.5677 31.2484 178.7072 144 S 4.1428 7.9932 113.7340 61.5783 62.7416 176.6046 145 A 4.1359 8.2407 123.3875 55.3554 18.1838 179.3967 146 D 4.6447 8.0793 117.2973 57.6242 40.9387 179.1931 147 V 3.6560 8.0727 118.8951 66.0636 31.5056 177.8230 148 N 4.3906 8.3417 116.5030 56.2579 38.3438 177.7274 149 V 3.5575 7.7258 120.4109 64.9870 31.4524 178.5046 150 T 3.9931 7.8408 110.1363 64.4578 68.5342 176.1460 151 L 3.9730 8.0895 123.4963 57.7796 42.1336 179.0564 152 S 3.9949 8.0900 114.2892 61.6691 62.8680 176.1644 153 M 3.9816 8.0634 121.3091 58.2410 31.9749 178.0094 154 A 4.0311 7.9828 120.8265 55.0558 18.6433 179.2947 155 L 3.9867 8.0024 119.0188 58.2335 42.0498 179.4540 156 G 3.5838 7.7107 105.1873 47.7911 0.0000 175.7863 157 V 3.7080 7.7261 120.2707 65.6960 31.5808 177.8638 158 F 3.9493 8.3194 120.4494 61.2745 39.2342 176.9286 159 I 3.8946 7.9411 117.8269 64.1380 37.8279 177.8522 160 L 3.9723 7.9408 119.8327 57.7126 41.5940 179.4928 161 I 4.0148 7.8435 113.0412 64.1446 37.5076 178.2495 162 L 4.0050 7.8445 120.3111 57.4555 41.3138 179.2316 163 F 4.2534 8.0669 120.1177 61.5508 39.0557 176.7868 164 Y 4.0893 7.3570 115.0834 60.9629 37.7200 178.3541 165 S 4.2551 7.8204 113.9451 61.5331 63.1269 176.0633 166 I 3.9486 7.3361 120.7887 62.4439 37.7817 175.8441 167 K 3.6811 7.1234 119.6128 57.2564 31.5194 176.7747 168 M 3.1550 8.5491 126.4059 54.6440 31.6035 176.5622 169 K 4.3975 7.8668 117.7930 55.6267 32.4834 174.2043 *199 S 4.3221 7.6428 113.4735 57.9521 63.6451 173.4345 200 L 3.9516 8.4905 120.1493 56.5928 41.3237 178.3912 201 L 4.5727 7.6829 118.3262 56.6532 42.1360 178.7437 202 S 4.1070 7.9493 115.5891 61.3510 62.8801 176.5141 203 K 3.8949 7.8177 120.7008 59.0129 31.9488 177.5154 204 P 3.5305 0.0000 0.0000 65.4022 31.2290 178.7416 205 V 3.4977 7.4253 116.7334 65.9317 31.3859 177.9913 206 S 4.0003 7.7371 112.3637 61.3426 62.2707 176.1309 207 L 3.8997 7.3839 121.2841 57.6105 41.2389 179.7234 208 G 3.5792 7.4687 105.2110 47.6208 0.0000 175.4612 209 L 4.0076 7.8852 122.7858 57.8550 42.0602 179.0858 210 R 3.9422 7.8433 118.4731 59.3325 29.9891 178.4703 211 L 4.0621 7.9262 119.6146 58.8336 40.4940 178.9637 212 F 4.1615 9.0933 122.1379 60.9310 39.3941 177.3615 213 G 3.8373 8.5285 105.3732 48.0300 0.0000 175.4657 214 N 4.4662 8.1675 119.1238 56.0925 38.4906 177.3987 215 M 4.0208 8.3674 118.7767 58.5622 31.1613 177.9871 216 Y 4.0734 7.9491 120.3849 60.2740 38.9814 177.9022 217 A 3.9633 8.0590 121.3720 55.0699 18.4198 179.8464 218 G 3.5081 8.4301 104.6424 47.7920 0.0000 175.5218 219 E 4.0172 8.4349 122.1618 59.0104 29.5376 179.0095 220 L 3.8821 7.5189 118.6494 57.7824 41.7746 179.3728 221 I 3.6873 7.8148 118.5602 64.1409 37.9807 177.9460 222 F 4.0135 9.0282 119.0591 60.4791 38.8152 177.5027 223 I 3.1358 7.8101 118.0660 63.6648 37.6203 177.9161 224 L 3.8325 7.5168 120.6849 58.8481 40.1241 179.0958 225 I 3.5365 7.6183 119.3718 63.5209 37.6659 177.6522 226 A 3.9813 7.8460 120.7761 55.0873 18.2685 179.5358 227 G 3.6001 7.5614 102.6987 47.7625 0.0000 175.3765 228 L 3.9944 7.4034 121.4252 57.7505 42.1640 178.7237 229 L 4.0887 7.4617 118.0207 56.5086 41.8801 175.5753 230 P 4.9670 0.0000 0.0000 61.3933 33.6713 174.5771 231 W 4.4645 9.1407 116.3424 58.2953 30.8222 177.8509 232 W 4.6219 8.3723 119.9403 54.7723 27.4563 176.9503 233 S 4.2562 8.1074 117.1689 61.4508 64.0642 177.4687 234 Q 4.0596 8.6281 115.7134 58.9933 28.0086 178.6937 235 W 4.3563 9.4590 133.2270 61.0486 31.4811 176.4312 236 I 3.2759 7.6404 118.5940 64.1695 36.8475 177.8467 237 L 4.0701 7.7277 120.6758 58.0627 41.9430 178.4731 238 N 4.7415 8.0392 117.2347 56.7818 38.8092 177.0079 239 V 3.5515 7.4000 119.1627 65.5817 31.6107 176.3075 240 P 4.3790 0.0000 0.0000 65.0110 31.5075 178.3090 241 W 4.2804 8.2519 127.1019 60.4224 30.5693 177.9355 242 A 3.2359 8.0002 120.6357 54.9112 17.9331 179.4672 243 I 3.6074 7.5252 117.3157 64.2421 38.0873 178.1396 244 F 4.0519 8.7962 118.7353 60.7997 38.7308 177.1376 245 H 3.8235 8.0304 117.4347 59.1230 29.6415 177.1275 246 I 3.4936 7.4192 120.1369 63.8280 37.7625 177.6019 247 L 3.8832 7.7144 121.1579 57.9707 41.7742 179.0032 248 I 3.6480 7.4302 112.8885 64.0051 37.5086 178.2427 249 I 3.6870 7.3930 114.9056 63.9009 37.2716 178.3050 250 T 3.8862 7.9407 117.5138 66.1713 68.2688 176.2976 251 L 3.9557 7.9016 122.2404 58.3289 42.1194 179.0980 252 Q 4.0424 7.9536 117.7955 58.9202 28.6486 178.5950 253 A 4.0951 8.1807 121.8427 55.1318 18.5416 179.3608 254 F 3.8801 8.7428 119.5947 61.5255 39.4531 177.3952 255 I 3.9251 7.9172 119.0046 64.4036 36.9794 178.1436 256 F 4.4416 8.0822 121.0666 61.6489 39.3108 177.0709 257 M 3.6367 7.9204 118.2760 58.3437 31.8182 179.1674 258 V 3.5447 7.4899 112.1135 64.2074 31.7587 178.3850 259 L 4.0132 7.8342 119.6587 58.3947 41.8342 178.9449 260 T 3.8657 7.8514 113.1431 65.0399 67.0346 176.1220 261 I 3.7077 7.3543 113.8319 64.0092 37.6203 178.2413 262 V 3.7548 7.5031 119.7093 64.6305 31.2198 177.3433 263 Y 4.2073 7.7591 118.8325 58.9388 38.7128 175.7719 264 L 4.4857 7.5401 122.4765 54.3539 42.0738 176.4302 265 S 4.1865 8.3666 121.5093 59.0463 63.8348 174.2327 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 95 H 8.43 4.70 0.00 3.14 3.39 0.00 5.82 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 96 G 7.55 3.96 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 0.00 0.00 0.00 97 K 8.18 4.19 0.00 1.87 1.71 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 98 S 8.14 4.16 0.00 3.88 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 99 K 8.03 3.95 0.00 1.81 1.98 0.00 1.91 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 100 L 8.05 4.20 0.00 2.02 1.99 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.77 3.66 1.86 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 1.68 0.95 0.89 0.00 0.00 102 A 7.88 3.95 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 0.00 103 P 0.00 4.21 0.00 2.14 2.16 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 104 L 7.68 3.84 0.00 1.72 1.62 0.65 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.09 4.04 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 0.00 106 L 7.77 3.87 0.00 1.81 1.84 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.04 3.98 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 1.21 0.00 0.00 108 I 7.71 3.74 1.70 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 1.84 0.95 0.72 0.00 0.00 109 F 8.46 4.01 0.00 3.24 3.22 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 0.00 110 V 8.12 3.73 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 1.14 0.00 0.00 0.91 0.00 0.00 111 W 8.41 4.08 0.00 3.78 3.27 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 0.00 112 V 7.96 3.81 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 0.91 0.00 0.00 113 F 8.48 3.99 0.00 3.31 3.26 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 0.00 114 L 8.50 4.12 0.00 1.88 1.78 0.90 0.54 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 0.00 115 M 7.97 4.06 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.70 0.00 116 N 7.91 4.21 0.00 2.51 2.59 0.00 0.00 6.55 7.77 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 0.00 117 L 8.13 3.83 0.00 1.93 1.95 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.84 4.00 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 119 D 7.80 4.29 0.00 2.78 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 0.00 120 L 8.02 3.90 0.00 1.76 1.74 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.94 3.98 0.00 1.84 1.82 0.97 1.03 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 0.00 122 P 0.00 4.39 0.00 2.48 2.56 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 123 I 7.31 3.72 1.84 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 1.53 0.71 0.96 0.00 0.00 124 D 8.13 4.50 0.00 2.90 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 0.00 125 L 7.82 4.19 0.00 1.99 1.98 1.01 0.64 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 0.00 126 L 7.70 4.03 0.00 1.77 1.92 1.06 1.79 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 0.00 127 P 0.00 4.03 0.00 1.39 1.72 0.00 3.69 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 1.99 2.04 0.00 128 Y 7.42 4.74 0.00 3.00 2.84 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 0.00 0.00 0.00 129 I 8.27 4.52 1.93 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 1.41 0.69 1.01 0.00 0.00 130 A 8.10 4.71 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 0.00 131 E 7.62 4.77 0.00 2.05 1.91 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 2.18 2.27 0.00 132 H 8.36 4.60 0.00 3.05 3.23 0.00 5.90 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.02 4.13 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 0.88 0.00 0.00 0.88 0.00 0.00 134 L 7.50 3.67 0.00 1.80 1.70 0.84 0.77 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 0.00 135 G 6.98 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 0.00 0.00 0.00 136 L 7.87 3.87 0.00 1.74 1.70 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.18 0.00 2.21 2.15 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 138 A 8.02 3.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.10 3.89 0.00 1.79 1.72 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.57 4.01 0.00 1.95 2.12 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 141 V 7.65 3.56 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 0.61 0.00 0.00 0.90 0.00 0.00 142 V 7.51 3.52 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 1.02 0.00 0.00 0.87 0.00 0.00 143 P 0.00 4.32 0.00 2.22 2.10 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 144 S 7.99 4.14 0.00 4.04 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 0.00 145 A 8.24 4.14 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 0.00 146 D 8.08 4.64 0.00 3.03 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 0.00 147 V 8.07 3.66 2.28 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 1.02 0.00 0.00 0.99 0.00 0.00 148 N 8.34 4.39 0.00 3.08 2.88 0.00 0.00 6.81 7.39 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 0.00 149 V 7.73 3.56 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 0.05 0.00 0.00 150 T 7.84 3.99 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 1.31 0.00 0.00 151 L 8.09 3.97 0.00 1.89 1.91 0.93 0.69 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 0.00 152 S 8.09 3.99 0.00 3.93 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 0.00 153 M 8.06 3.98 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 154 A 7.98 4.03 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 0.00 155 L 8.00 3.99 0.00 1.62 1.68 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.71 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 0.00 0.00 0.00 157 V 7.73 3.71 2.29 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 1.12 0.00 0.00 1.04 0.00 0.00 158 F 8.32 3.95 0.00 3.19 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 0.00 159 I 7.94 3.89 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.11 1.12 0.00 0.00 160 L 7.94 3.97 0.00 1.95 1.85 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.84 4.01 1.82 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.34 0.98 0.00 0.00 162 L 7.84 4.00 0.00 2.01 1.86 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.07 4.25 0.00 2.93 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 0.00 164 Y 7.36 4.09 0.00 3.17 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 0.00 165 S 7.82 4.26 0.00 4.06 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 0.00 166 I 7.34 3.95 1.86 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 1.52 0.63 0.83 0.00 0.00 167 K 7.12 3.68 0.00 1.74 1.62 0.00 0.85 0.00 0.00 1.31 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.01 0.87 7.81 168 M 8.55 3.15 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 169 K 7.87 4.40 0.00 1.62 1.66 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.34 7.81 *199 S 7.64 4.32 0.00 3.95 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 0.00 200 L 8.49 3.95 0.00 1.64 1.63 0.74 0.92 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 0.00 201 L 7.68 4.57 0.00 1.86 1.89 1.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 202 S 7.95 4.11 0.00 4.00 3.95 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 0.00 0.00 0.00 203 K 7.82 3.89 0.00 1.73 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.74 7.81 204 P 0.00 3.53 0.00 2.07 2.22 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 205 V 7.43 3.50 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 1.07 0.00 0.00 0.98 0.00 0.00 206 S 7.74 4.00 0.00 3.86 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 0.00 207 L 7.38 3.90 0.00 0.74 1.14 0.84 0.68 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 0.00 208 G 7.47 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 0.00 0.00 0.00 209 L 7.89 4.01 0.00 1.76 1.82 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 210 R 7.84 3.94 0.00 1.95 2.03 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 211 L 7.93 4.06 0.00 2.07 1.97 1.30 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 212 F 9.09 4.16 0.00 3.33 3.28 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 0.00 213 G 8.53 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 214 N 8.17 4.47 0.00 2.91 2.91 0.00 0.00 6.91 8.81 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 0.00 215 M 8.37 4.02 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 216 Y 7.95 4.07 0.00 2.86 3.17 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 0.00 217 A 8.06 3.96 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 0.00 0.00 0.00 0.00 0.00 218 G 8.43 3.51 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 0.00 219 E 8.43 4.02 0.00 1.70 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 0.00 2.36 2.45 0.00 220 L 7.52 3.88 0.00 1.45 1.56 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 221 I 7.81 3.69 1.92 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 1.43 1.31 1.30 0.00 0.00 222 F 9.03 4.01 0.00 3.43 3.33 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 0.00 223 I 7.81 3.14 0.93 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.12 0.76 0.00 0.00 224 L 7.52 3.83 0.00 1.81 1.80 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 225 I 7.62 3.54 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.04 0.78 0.00 0.00 226 A 7.85 3.98 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 0.00 227 G 7.56 3.60 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 0.00 228 L 7.40 3.99 0.00 1.52 1.77 0.80 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 229 L 7.46 4.09 0.00 1.55 1.69 0.88 1.41 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 0.00 230 P 0.00 4.97 0.00 2.33 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 231 W 9.14 4.46 0.00 3.53 3.40 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 0.00 232 W 8.37 4.62 0.00 3.50 3.38 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 0.00 233 S 8.11 4.26 0.00 3.92 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 0.00 234 Q 8.63 4.06 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 235 W 9.46 4.36 0.00 3.42 3.35 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 0.00 236 I 7.64 3.28 2.11 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.08 0.86 0.00 0.00 237 L 7.73 4.07 0.00 1.71 1.82 0.83 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 238 N 8.04 4.74 0.00 3.13 3.07 0.00 0.00 7.05 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 0.00 239 V 7.40 3.55 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 0.89 0.00 0.00 0.40 0.00 0.00 240 P 0.00 4.38 0.00 1.97 1.90 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 241 W 8.25 4.28 0.00 3.34 3.47 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 0.00 242 A 8.00 3.24 1.11 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 0.00 0.00 243 I 7.53 3.61 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.14 1.31 0.00 0.00 244 F 8.80 4.05 0.00 3.44 3.51 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 0.00 245 H 8.03 3.82 0.00 3.01 2.99 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 I 7.42 3.49 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.91 0.00 0.00 247 L 7.71 3.88 0.00 1.74 1.66 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 248 I 7.43 3.65 1.79 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.61 0.87 0.00 0.00 249 I 7.39 3.69 1.85 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 1.35 0.65 0.75 0.00 0.00 250 T 7.94 3.89 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 251 L 7.90 3.96 0.00 1.80 1.80 0.87 0.72 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 0.00 252 Q 7.95 4.04 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 253 A 8.18 4.10 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 0.00 254 F 8.74 3.88 0.00 3.17 3.17 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 0.00 255 I 7.92 3.93 2.12 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 1.79 1.15 0.98 0.00 0.00 256 F 8.08 4.44 0.00 2.92 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 0.00 257 M 7.92 3.64 0.00 1.72 1.78 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.69 0.00 258 V 7.49 3.54 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 0.91 0.00 0.00 1.08 0.00 0.00 259 L 7.83 4.01 0.00 1.81 1.98 0.97 1.03 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 0.00 260 T 7.85 3.87 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 0.99 0.00 0.00 261 I 7.35 3.71 1.84 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 1.72 0.71 0.88 0.00 0.00 262 V 7.50 3.75 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 0.96 0.00 0.00 0.94 0.00 0.00 263 Y 7.76 4.21 0.00 3.06 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 0.00 264 L 7.54 4.49 0.00 1.70 1.63 0.93 1.33 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 0.00 265 S 8.37 4.19 0.00 3.82 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 * Residues marked with a * may have inaccurate shift predictions.