NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 78 L 4.2758 8.0385 122.4955 55.1355 44.1170 178.7238 79 A 4.0340 7.8225 120.0423 53.8284 18.2534 175.9541 80 E 3.9538 8.3819 118.0673 58.9804 30.1632 176.4921 81 Q 3.9783 8.2570 119.5737 59.7722 28.9571 178.1191 82 Y 4.0405 7.6472 118.7554 60.8397 38.8228 177.8956 83 E 3.9702 8.1031 120.4136 59.3640 29.6074 177.9791 84 R 3.7985 8.6782 118.8924 59.5365 30.0120 177.7095 85 D 4.1997 8.3997 118.0584 57.8340 41.0389 178.9098 86 R 3.2339 7.5019 118.2837 59.4482 29.8198 178.0560 87 K 3.6211 7.7923 116.8522 59.7980 32.2683 179.1236 88 A 3.9528 7.5320 120.3535 55.0944 18.2312 179.8257 89 I 3.4288 7.2080 118.3938 64.3630 37.0381 178.7078 90 I 3.9374 7.4511 120.6587 64.6365 36.7366 178.3567 91 N 4.3440 8.0687 116.0808 56.0994 38.3447 177.0062 92 C 4.3374 7.8981 117.4132 61.9114 28.7200 174.3352 93 C 4.5973 8.3764 113.5843 59.2068 29.3104 174.1411 94 F 5.0279 8.3951 119.0169 57.3740 39.7029 175.6996 95 S 4.7222 8.3971 115.7867 57.8237 64.7936 173.7790 96 R 4.7249 7.5476 115.8811 53.0571 32.0521 173.5095 97 P 4.5165 0.0000 0.0000 62.3542 32.1172 175.9825 98 D 4.4161 9.0216 121.5515 54.8856 41.4090 176.6739 99 H 4.7387 8.9403 120.5608 56.2824 28.7952 175.5735 100 K 4.4916 8.0305 117.6630 56.2343 33.9355 176.6346 101 T 4.2931 7.6813 111.6305 60.7813 69.4325 175.0112 102 G 4.0420 8.3801 107.3533 45.9965 0.0000 173.3004 103 E 4.3471 7.5194 117.9097 54.9269 30.7717 174.8894 104 P 4.7706 0.0000 0.0000 61.9833 32.2017 174.4149 105 P 4.5854 0.0000 0.0000 62.7245 32.0646 175.7250 106 N 4.7469 8.9474 117.7140 53.9270 39.7056 174.1398 107 N 4.8033 9.2611 119.0898 51.6475 40.2478 174.2510 108 Y 3.6077 8.3593 125.2821 58.5553 39.5293 175.2724 109 I 4.0251 7.5940 125.3136 62.1758 39.2986 175.3967 110 T 4.1912 6.8049 113.2241 62.6407 70.8279 170.4055 111 H 5.5300 8.7051 119.4645 54.6326 32.1692 172.9515 112 V 4.5926 8.5874 117.2181 60.2670 34.7632 174.1287 113 R 4.6918 8.6455 122.5098 56.1831 30.9692 175.7591 114 I 4.9584 8.7127 115.7984 59.2400 41.8904 173.8997 115 I 5.0140 9.1989 124.4789 59.6772 39.6312 174.2441 116 E 5.1788 9.3076 128.2926 54.5196 32.1579 173.9369 117 D 5.4507 8.6795 126.1996 52.5835 42.2598 177.0834 118 S 4.2105 8.9710 122.2906 60.8883 63.2265 175.6802 119 K 3.9833 8.2744 119.6727 57.2285 32.4060 176.9245 120 F 4.8835 7.4760 116.5961 55.1363 38.8173 172.9990 121 P 4.4750 0.0000 0.0000 64.0525 31.9909 177.9292 122 S 4.6728 7.8416 111.2990 57.8651 64.1825 173.1951 123 S 4.4233 7.4674 113.3510 56.5119 65.2934 173.9373 124 R 2.5100 7.9358 121.3415 55.6322 29.8453 174.6435 125 P 3.8024 0.0000 0.0000 61.1277 32.4329 174.4683 126 P 4.2577 0.0000 0.0000 61.4924 31.8044 176.0459 127 P 4.2937 0.0000 0.0000 65.4521 31.0246 176.1753 128 D 4.7800 7.8681 117.3888 53.3029 39.7483 175.8768 129 S 4.6451 7.7124 113.9828 57.1842 63.7071 173.7700 130 K 4.0622 8.5246 127.2364 56.5895 32.4809 177.8845 131 L 4.1656 8.5847 125.7022 57.4225 41.8955 178.9826 132 E 4.1528 8.2031 115.7767 58.2262 30.0885 177.0018 133 N 4.7043 7.9539 115.9157 52.4828 37.7719 173.9914 134 K 4.8971 7.5980 118.3860 55.8718 32.8999 176.2739 135 K 4.7249 9.3142 125.2076 54.3896 35.2019 175.6513 136 K 4.5569 8.5904 123.3767 56.3176 33.1460 176.3597 137 R 4.8683 8.8410 122.6923 55.0546 35.4686 173.5733 138 L 5.0900 9.0831 118.1597 53.4939 46.4963 175.7004 139 L 5.0859 8.5621 122.1532 53.1333 44.1877 175.5975 140 I 5.0874 9.1888 123.9205 59.5211 41.0933 174.3501 141 L 5.3334 9.1678 126.6208 53.2783 44.5375 175.6625 142 S 4.8735 8.7084 115.7418 57.2841 67.0972 172.5529 143 A 5.2370 8.7057 121.4104 49.5650 22.6781 175.6550 144 K 4.3776 8.9158 121.8667 56.1133 33.0641 176.0998 145 P 4.2291 0.0000 0.0000 65.6623 31.2747 176.9420 146 N 4.8390 8.0951 110.6577 52.9461 39.9162 174.7892 147 N 4.7746 7.7660 117.6835 51.1536 38.3625 174.3613 148 A 4.2022 8.2460 123.0593 53.0647 18.7456 178.3990 149 K 4.2199 7.8425 114.0514 56.0801 33.0578 175.8906 150 L 4.5855 8.3904 123.1434 53.5763 43.3769 174.9360 151 I 5.0551 8.2122 126.8745 59.5277 40.9651 174.7499 152 Q 5.1012 9.1978 124.2186 54.2191 32.6816 174.3208 153 I 4.9663 8.6278 123.0562 60.1168 39.8088 174.4149 154 H 5.5162 9.6343 123.4152 53.9343 32.5302 172.4281 155 K 5.0133 8.8323 123.6074 55.0695 34.1045 175.0896 156 A 5.2971 9.2121 128.5794 50.5119 23.5584 174.1951 157 R 4.8066 8.6790 113.2341 55.0804 33.4161 174.4627 158 E 4.1148 8.4352 121.5725 54.1116 29.8975 175.4926 159 N 4.5154 8.2228 124.7118 52.8334 39.4237 176.8607 160 S 4.0327 8.5850 114.4622 61.6819 63.1397 175.5313 161 D 4.2929 8.0089 119.8791 55.8398 40.5753 178.0063 162 G 3.8223 8.1893 106.1900 45.0178 0.0000 173.3130 163 S 4.6600 7.5356 113.9886 56.9309 64.8924 172.6604 164 F 5.3664 8.4567 119.3285 55.9510 41.9793 175.3182 165 Q 4.5382 8.7440 119.1981 54.8757 31.9683 173.8658 166 I 4.2728 8.5470 125.3746 61.3416 37.2387 175.9353 167 G 4.0639 9.4027 113.7090 46.6609 0.0000 173.6463 168 R 4.6593 7.6038 117.7786 54.9777 34.9312 174.3004 169 T 5.0651 7.6687 117.0899 61.9386 72.5084 173.2453 170 W 5.1502 9.3755 125.1313 54.6496 33.5707 175.2013 171 Q 4.4478 8.9378 120.3866 55.5011 29.1045 177.6292 172 L 3.8162 8.9212 124.2042 58.2769 42.1861 179.2068 173 T 4.1252 7.6921 106.8465 63.5903 68.7674 174.8609 174 E 4.1281 8.0517 121.6319 58.3367 29.8013 176.5961 175 L 4.3598 8.1044 121.8541 54.9067 41.9337 176.5552 176 V 4.2888 8.8644 120.1212 62.0507 32.9785 176.3185 177 R 4.7346 7.6416 119.2020 54.9256 33.5094 173.5940 178 V 4.9276 8.4730 125.2023 61.1482 34.4979 174.3397 179 E 4.6759 8.9858 127.9310 54.7065 32.8595 174.3324 180 K 4.5656 8.8056 126.9642 56.2673 33.6544 176.4492 181 D 4.6470 8.9966 124.6456 53.8969 41.3476 177.0626 182 L 4.2919 8.8123 126.7095 56.7901 42.1045 178.0600 183 E 4.2975 8.7131 117.8537 57.0866 30.3463 176.3432 184 I 4.5507 7.5930 118.9552 59.0700 39.2251 176.5111 185 S 4.3017 8.9400 120.7190 60.3903 63.0717 174.4898 186 E 4.6147 8.2501 119.4341 56.3728 31.3333 176.0196 187 G 4.4048 8.5033 107.9390 45.0227 0.0000 172.9278 188 F 5.1563 7.2190 113.6067 55.8952 41.9367 172.7004 189 I 4.8092 8.7704 121.9360 59.6032 40.1862 174.3108 190 L 5.2471 8.8280 127.1862 53.4896 43.9977 175.5335 191 T 5.5489 9.0793 120.9601 61.2138 70.4597 175.8702 *193 S 4.7144 8.7228 119.3910 58.0627 65.2841 173.0102 194 K 4.3940 7.4009 117.9945 55.6189 34.9067 174.3247 195 K 4.3512 7.9592 118.0864 56.2361 32.8707 176.2789 196 Y 4.4196 8.3961 119.6616 56.2819 41.5375 173.5833 197 Y 4.5401 8.3999 126.3840 55.9972 40.6186 174.4143 198 W 5.5981 7.8333 125.3011 55.0051 34.1414 173.8026 199 E 5.4547 9.0050 121.0482 55.0149 32.5188 176.2935 200 T 4.7710 8.7726 114.1317 60.9344 70.7357 174.2599 201 N 4.7168 8.8105 117.3572 54.4173 39.3926 175.8163 202 S 4.6528 7.6254 111.0395 55.9858 67.3362 175.1994 203 A 4.1988 8.5479 124.7024 55.3562 18.0903 180.0303 204 K 3.8956 8.0069 117.6476 59.6268 32.2136 178.8084 205 E 3.9605 7.9001 117.7005 59.0289 29.2846 179.1317 206 R 3.8204 7.8717 118.3167 59.7553 30.3543 178.3128 207 T 3.8165 7.9386 115.4961 66.8450 68.5172 176.4860 208 V 3.4921 7.9103 119.6642 65.9527 31.5401 177.7081 209 F 4.1021 8.3407 120.4425 61.4919 39.2696 177.0791 210 I 3.3303 7.8106 119.5011 64.0494 36.8394 178.4319 211 K 3.8371 7.7851 120.0843 59.3917 32.1307 178.6520 212 S 3.9549 7.9201 113.4773 61.2862 62.2298 175.9816 213 L 3.6419 7.6491 123.0614 58.2578 41.8220 179.1023 214 I 3.8586 7.6953 119.9900 64.4553 37.0326 178.5734 215 T 3.8775 8.0204 110.8079 64.6300 68.3203 176.6930 216 L 3.8609 7.5423 120.8508 57.6219 41.9800 178.2722 217 Y 4.2169 7.9203 119.4125 61.0899 38.7558 178.5128 218 I 2.0000 7.6748 120.3202 63.7405 36.8733 178.1508 219 Q 4.0894 7.5550 117.6438 57.9300 28.6521 177.7759 220 T 4.1701 7.5150 109.8649 62.3204 69.6142 175.2180 221 F 4.5367 7.2511 120.5439 58.0537 39.4742 174.4006 222 E 4.4116 8.8914 124.3704 55.7948 30.5434 177.3751 223 G 3.7116 8.5959 114.5519 45.8190 0.0000 172.5496 224 H 4.7299 8.7332 122.0780 54.8420 30.2232 176.0437 225 V 4.4755 7.5708 122.5889 59.2167 32.1525 175.4021 226 P 4.0713 0.0000 0.0000 65.2706 32.0256 179.2785 227 E 3.8988 7.8386 115.9614 58.5756 29.5845 177.8201 228 L 3.9814 7.1065 118.6006 56.1673 42.0411 177.1974 229 V 3.6406 7.1352 119.2607 61.9972 31.9205 174.8318 230 N 4.8398 8.1300 123.9393 51.1822 41.4714 173.4538 231 W 5.0419 8.2330 118.1702 56.3244 30.6478 173.3559 232 D 5.0638 8.5379 116.4087 52.8355 39.2063 175.6809 233 L 4.0506 7.4769 121.4711 55.5530 42.6681 176.0039 234 S 4.6758 8.4082 117.3957 57.3613 64.6110 173.5994 235 L 4.8241 7.6165 121.7560 53.2634 44.9378 174.9684 236 F 4.7393 8.6762 126.4470 56.8642 42.2586 172.7485 237 Y 4.5070 7.0632 123.9959 56.0973 40.4393 173.5029 238 L 4.2612 8.1719 120.3098 52.9330 42.5448 176.8491 239 D 4.6586 8.2139 123.6468 54.1407 41.6122 175.6846 240 E 4.5423 8.2781 120.3721 54.8386 31.1656 176.8399 241 R 4.0766 8.3569 116.5993 56.5884 29.6388 176.4506 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 78 L 8.04 4.28 0.00 1.71 1.75 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.82 4.03 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 80 E 8.38 3.95 0.00 2.12 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 2.39 2.44 0.00 81 Q 8.26 3.98 0.00 2.21 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.63 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 82 Y 7.65 4.04 0.00 3.13 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 83 E 8.10 3.97 0.00 2.15 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 2.31 2.34 0.00 84 R 8.68 3.80 0.00 1.88 2.12 0.00 3.21 0.00 0.00 3.19 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 D 8.40 4.20 0.00 2.65 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 0.00 0.00 0.00 0.00 86 R 7.50 3.23 0.00 1.69 1.86 0.00 3.21 0.00 0.00 3.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.52 0.00 87 K 7.79 3.62 0.00 1.97 1.79 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 88 A 7.53 3.95 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 89 I 7.21 3.43 1.64 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.24 1.05 0.00 0.00 90 I 7.45 3.94 1.92 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.92 0.00 0.00 91 N 8.07 4.34 0.00 2.83 2.86 0.00 0.00 7.12 7.18 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 92 C 7.90 4.34 0.00 3.09 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 93 C 8.38 4.60 0.00 2.04 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 94 F 8.40 5.03 0.00 2.95 3.13 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 95 S 8.40 4.72 0.00 3.95 4.07 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 96 R 7.55 4.72 0.00 1.88 1.90 0.00 3.01 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 97 P 0.00 4.52 0.00 2.07 2.13 0.00 3.69 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 2.03 2.09 0.00 98 D 9.02 4.42 0.00 2.65 2.56 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 0.00 0.00 0.00 0.00 99 H 8.94 4.74 0.00 3.30 3.36 0.00 5.54 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.03 4.49 0.00 1.84 1.76 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.12 0.82 7.81 101 T 7.68 4.29 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 1.28 0.00 0.00 102 G 8.38 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 0.00 0.00 0.00 103 E 7.52 4.35 0.00 2.01 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 0.00 2.33 2.30 0.00 104 P 0.00 4.77 0.00 1.96 2.01 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 105 P 0.00 4.59 0.00 2.28 2.30 0.00 3.81 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 2.05 1.95 0.00 106 N 8.95 4.75 0.00 3.09 2.97 0.00 0.00 6.88 8.00 0.00 0.00 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 N 9.26 4.80 0.00 2.65 2.71 0.00 0.00 6.91 7.99 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 0.00 108 Y 8.36 3.61 0.00 2.48 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 4.03 1.71 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 0.97 0.71 0.77 0.00 0.00 110 T 6.80 4.19 4.16 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 1.22 0.00 0.00 111 H 8.71 5.53 0.00 3.25 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.59 4.59 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 -0.56 0.00 0.00 0.83 0.00 0.00 113 R 8.65 4.69 0.00 1.77 1.93 0.00 3.22 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 114 I 8.71 4.96 1.77 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.75 0.79 0.00 0.00 115 I 9.20 5.01 2.00 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 1.18 0.83 1.02 0.00 0.00 116 E 9.31 5.18 0.00 2.39 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 2.40 2.54 0.00 117 D 8.68 5.45 0.00 2.94 2.87 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 0.00 118 S 8.97 4.21 0.00 4.02 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 0.00 119 K 8.27 3.98 0.00 1.30 1.01 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.21 1.23 7.81 120 F 7.48 4.88 0.00 2.95 2.81 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 0.00 121 P 0.00 4.47 0.00 2.17 2.13 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 122 S 7.84 4.67 0.00 3.75 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 0.00 123 S 7.47 4.42 0.00 3.79 3.73 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 0.00 124 R 7.94 2.51 0.00 1.52 1.64 0.00 3.14 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.51 0.00 125 P 0.00 3.80 0.00 2.00 2.14 0.00 3.38 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 126 P 0.00 4.26 0.00 2.22 1.85 0.00 3.20 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 127 P 0.00 4.29 0.00 2.14 2.19 0.00 3.43 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 1.96 2.05 0.00 128 D 7.87 4.78 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 S 7.71 4.65 0.00 4.01 3.86 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 0.00 130 K 8.52 4.06 0.00 1.98 1.74 0.00 1.79 0.00 0.00 1.91 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 131 L 8.58 4.17 0.00 1.81 1.73 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.20 4.15 0.00 2.08 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 0.00 2.29 2.31 0.00 133 N 7.95 4.70 0.00 2.91 3.07 0.00 0.00 6.78 8.36 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 0.00 134 K 7.60 4.90 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.74 1.62 7.81 135 K 9.31 4.72 0.00 1.67 1.72 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.59 7.81 136 K 8.59 4.56 0.00 1.65 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 137 R 8.84 4.87 0.00 1.60 1.71 0.00 3.37 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 138 L 9.08 5.09 0.00 1.56 1.48 1.08 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.56 5.09 0.00 1.11 1.29 0.09 0.82 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 I 9.19 5.09 2.11 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 1.36 0.89 1.14 0.00 0.00 141 L 9.17 5.33 0.00 1.40 1.45 0.78 0.31 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 0.00 142 S 8.71 4.87 0.00 3.70 3.74 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 0.00 143 A 8.71 5.24 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 0.00 144 K 8.92 4.38 0.00 2.06 1.71 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 145 P 0.00 4.23 0.00 2.10 2.15 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.52 0.00 146 N 8.10 4.84 0.00 2.69 2.83 0.00 0.00 6.62 8.00 0.00 0.00 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 N 7.77 4.77 0.00 2.75 2.68 0.00 0.00 6.99 7.90 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 0.00 148 A 8.25 4.20 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 0.00 149 K 7.84 4.22 0.00 1.76 1.87 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.42 7.81 150 L 8.39 4.59 0.00 1.76 1.56 0.94 1.19 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 0.00 151 I 8.21 5.06 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.82 0.00 0.00 152 Q 9.20 5.10 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 153 I 8.63 4.97 2.14 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 1.02 0.00 0.00 154 H 9.63 5.52 0.00 3.11 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.83 5.01 0.00 2.10 1.75 0.00 1.76 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.31 7.81 156 A 9.21 5.30 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 0.00 157 R 8.68 4.81 0.00 1.85 1.98 0.00 2.89 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 158 E 8.44 4.11 0.00 1.16 1.58 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 1.69 1.47 0.00 159 N 8.22 4.52 0.00 2.70 2.65 0.00 0.00 6.42 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 0.00 160 S 8.58 4.03 0.00 3.93 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 0.00 161 D 8.01 4.29 0.00 2.63 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 0.00 162 G 8.19 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.54 4.66 0.00 4.00 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 0.00 164 F 8.46 5.37 0.00 2.85 2.95 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 0.00 165 Q 8.74 4.54 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 166 I 8.55 4.27 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.41 0.93 0.00 0.00 167 G 9.40 4.06 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 0.00 0.00 0.00 168 R 7.60 4.66 0.00 1.47 0.81 0.00 2.21 0.00 0.00 2.82 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 169 T 7.67 5.07 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 1.27 0.00 0.00 170 W 9.38 5.15 0.00 3.22 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 0.00 171 Q 8.94 4.45 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 172 L 8.92 3.82 0.00 1.62 1.37 0.71 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 173 T 7.69 4.13 4.33 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 1.23 0.00 0.00 174 E 8.05 4.13 0.00 2.41 2.20 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 2.50 2.37 0.00 175 L 8.10 4.36 0.00 1.56 1.86 1.10 0.94 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 0.00 176 V 8.86 4.29 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 0.83 0.00 0.00 1.04 0.00 0.00 177 R 7.64 4.73 0.00 1.88 1.75 0.00 3.14 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 178 V 8.47 4.93 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 0.90 0.00 0.00 1.04 0.00 0.00 179 E 8.99 4.68 0.00 2.14 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 2.27 2.35 0.00 180 K 8.81 4.57 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.64 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.46 7.81 181 D 9.00 4.65 0.00 2.83 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 0.00 182 L 8.81 4.29 0.00 1.71 1.74 0.95 1.00 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 0.00 183 E 8.71 4.30 0.00 2.16 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 2.32 2.43 0.00 184 I 7.59 4.55 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 1.14 0.00 0.00 185 S 8.94 4.30 0.00 4.01 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 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0.00 1.58 1.63 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.37 7.81 196 Y 8.40 4.42 0.00 2.16 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 0.00 197 Y 8.40 4.54 0.00 2.94 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 0.00 198 W 7.83 5.60 0.00 2.44 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 5.45 0.00 2.05 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 2.40 2.49 0.00 200 T 8.77 4.77 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 1.30 0.00 0.00 201 N 8.81 4.72 0.00 2.92 2.94 0.00 0.00 6.64 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 7.63 4.65 0.00 4.07 3.93 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 0.00 203 A 8.55 4.20 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 0.00 204 K 8.01 3.90 0.00 1.87 1.81 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.56 7.81 205 E 7.90 3.96 0.00 2.29 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 2.31 0.00 206 R 7.87 3.82 0.00 1.99 2.08 0.00 3.15 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 207 T 7.94 3.82 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 1.16 0.00 0.00 208 V 7.91 3.49 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 0.94 0.00 0.00 0.93 0.00 0.00 209 F 8.34 4.10 0.00 3.02 2.95 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 0.00 210 I 7.81 3.33 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.83 0.00 0.00 211 K 7.79 3.84 0.00 1.76 1.93 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 212 S 7.92 3.95 0.00 3.85 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 0.00 213 L 7.65 3.64 0.00 0.96 1.38 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.70 3.86 1.85 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 1.62 0.65 0.98 0.00 0.00 215 T 8.02 3.88 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 0.00 216 L 7.54 3.86 0.00 1.82 1.68 0.84 0.77 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 0.00 217 Y 7.92 4.22 0.00 3.13 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 0.00 218 I 7.67 2.00 1.80 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.68 0.00 0.00 219 Q 7.56 4.09 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 220 T 7.52 4.17 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 1.23 0.00 0.00 221 F 7.25 4.54 0.00 3.08 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 0.00 222 E 8.89 4.41 0.00 1.98 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 2.31 2.27 0.00 223 G 8.60 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 0.00 224 H 8.73 4.73 0.00 3.08 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 V 7.57 4.48 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.48 0.00 0.00 226 P 0.00 4.07 0.00 2.06 2.17 0.00 3.41 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 227 E 7.84 3.90 0.00 1.99 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 0.00 2.14 2.18 0.00 228 L 7.11 3.98 0.00 1.26 1.52 0.70 0.73 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 0.00 229 V 7.14 3.64 1.77 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 -0.29 0.00 0.00 0.76 0.00 0.00 230 N 8.13 4.84 0.00 2.64 2.64 0.00 0.00 6.90 7.68 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 0.00 231 W 8.23 5.04 0.00 3.28 3.16 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 0.00 232 D 8.54 5.06 0.00 2.80 2.81 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 0.00 233 L 7.48 4.05 0.00 0.58 0.13 -0.07 0.62 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 0.00 234 S 8.41 4.68 0.00 3.96 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 0.00 235 L 7.62 4.82 0.00 1.57 1.54 0.97 0.66 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 0.00 236 F 8.68 4.74 0.00 2.86 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 0.00 237 Y 7.06 4.51 0.00 2.97 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 0.00 238 L 8.17 4.26 0.00 1.63 1.60 0.87 0.90 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 0.00 239 D 8.21 4.66 0.00 2.56 2.56 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 0.00 0.00 0.00 0.00 240 E 8.28 4.54 0.00 1.95 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 2.22 0.00 241 R 8.36 4.08 0.00 1.89 1.89 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.