NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5427 8.0427 122.7545 54.9920 44.1638 174.8872 5 V 4.6322 9.0384 124.7567 60.7008 34.7284 172.5260 6 I 4.7990 8.6267 128.9153 59.4928 40.3500 173.5691 7 N 4.7988 8.8667 126.3934 52.8535 39.7632 175.7851 8 G 3.5652 8.5444 113.5942 48.6501 0.0000 174.4631 9 T 3.8733 7.9572 115.5387 61.7039 67.3715 171.5996 10 P 4.5354 0.0000 0.0000 63.2505 32.2504 175.8907 11 R 4.3764 7.6815 120.5188 54.8136 30.4207 177.5061 12 K 4.0471 8.8464 123.6941 58.7910 32.5149 176.9415 13 H 4.9993 7.8475 114.1631 54.7990 28.7604 173.8379 14 G 4.2030 7.6607 107.7514 44.8047 0.0000 175.2560 15 R 3.9641 8.4133 119.6354 59.2562 30.0509 179.6487 16 T 3.9205 7.8631 115.3969 66.2788 68.4955 176.5206 17 R 4.1607 7.5978 122.3405 58.8233 29.9784 178.5031 18 I 3.6837 7.7803 118.7981 64.5259 37.3114 177.8336 19 A 4.0164 7.7505 120.8793 55.2608 18.0374 179.5388 20 A 3.9315 8.0999 118.9384 55.5270 18.5092 180.0100 21 S 4.0780 8.1389 113.6397 62.1585 62.8590 175.8096 22 Y 4.1399 8.4245 122.2736 61.0605 38.4518 178.0508 23 I 3.5202 8.1448 119.6395 64.6985 37.4539 178.1195 24 A 4.5479 8.5754 122.4337 55.0658 18.0847 178.9560 25 A 4.0265 8.2523 119.4708 54.4428 18.4117 179.2179 26 L 3.8060 8.0808 119.9047 57.4929 42.3418 178.3484 27 Y 4.2196 7.9836 114.1289 56.1106 39.4932 174.3510 28 H 4.3107 8.0153 116.3648 56.7802 26.3416 173.2776 29 T 4.8084 8.7047 111.6706 59.1589 73.5286 173.5659 30 D 4.6957 8.6134 121.9340 54.2703 42.1077 174.3595 31 L 5.0622 8.5299 128.0190 53.6348 44.5723 176.0611 32 I 4.3576 8.6132 125.6926 59.3491 39.9009 173.2575 33 D 4.8341 8.4830 127.0845 53.4010 41.6905 176.3242 34 L 4.6063 8.0805 125.7116 55.9430 41.3234 178.8605 35 S 4.5138 9.1369 116.5255 60.2855 63.2426 174.7258 36 E 4.4985 8.1656 116.1828 57.5639 31.2332 176.6252 37 F 4.3159 8.6422 124.3276 56.9340 37.4772 172.8716 38 V 4.5924 7.7286 123.6804 60.4305 33.5285 174.5594 39 L 4.9215 8.3057 124.9527 51.8750 45.1651 174.1814 40 P 4.5452 0.0000 0.0000 62.0086 32.1150 176.3413 41 V 3.8010 8.4330 118.8730 62.8172 31.2544 175.2063 42 F 4.3775 8.3672 128.8520 58.3338 39.7474 174.8690 43 N 4.4588 8.5476 121.9201 51.4757 39.1893 174.0960 44 G 3.6530 6.5321 108.0096 45.7359 0.0000 172.3195 45 E 4.5574 7.8054 119.3990 55.2705 34.1718 175.7950 46 A 3.9194 8.7288 127.3545 55.5314 18.9183 178.9610 47 E 3.9371 8.3742 112.4727 59.5752 29.7826 178.4932 48 Q 4.0500 8.3287 120.8145 58.7923 29.1914 177.8048 49 S 4.4175 8.0113 108.8883 58.7064 62.4682 174.4220 50 E 4.7246 8.0114 119.6475 55.6857 31.1394 177.7108 51 L 4.6215 7.6082 122.5697 54.7053 41.9358 176.9293 52 L 4.3599 8.5425 124.0716 57.2473 42.6816 177.8186 53 K 3.5456 7.6353 119.4619 59.3125 32.3770 179.3727 54 V 3.4838 7.6929 118.6174 66.2019 31.4663 177.9860 55 Q 4.0840 7.9518 116.2201 58.6846 28.4927 177.7439 56 E 3.9445 7.6909 121.6861 58.9822 29.7008 178.2409 57 L 3.8954 8.4765 120.8016 58.3616 42.2143 179.0558 58 K 3.8955 8.0060 118.2253 59.7866 31.9055 179.1161 59 Q 3.9319 7.9848 118.1922 58.9546 28.5863 178.6575 60 R 3.9234 8.4124 119.2652 59.3226 29.8991 179.5504 61 V 3.4958 7.4280 117.1767 66.0955 31.7879 177.6556 62 T 3.9226 7.4787 109.2260 63.2092 67.1528 174.7243 63 K 4.2206 7.5151 119.3905 57.6217 33.5368 176.5145 64 A 4.1839 7.0364 121.3713 52.0533 19.0283 177.2083 65 D 4.4868 8.7843 121.7267 56.7379 41.3221 176.7978 66 A 5.0469 7.6658 117.5409 50.1583 22.6704 175.3765 67 I 4.7187 8.6123 120.1111 59.4916 41.4696 175.2335 68 V 4.1000 9.0436 126.0468 61.1068 33.1200 173.7981 69 L 4.5830 8.3326 131.2092 54.0506 43.3775 175.1477 70 L 5.6543 8.4378 126.2473 52.3251 45.0562 175.6366 71 S 4.8086 8.2180 116.1363 56.3331 65.9181 171.4285 72 P 4.9227 0.0000 0.0000 62.1935 32.8025 174.8913 73 E 4.3906 8.4393 122.7133 55.5944 30.5764 175.4236 74 Y 4.6929 9.1474 125.9836 57.2762 39.4509 175.6241 75 H 4.2720 9.1040 124.4978 57.6659 25.7437 175.0568 76 S 4.0916 8.1340 106.7027 59.0532 62.3248 173.5927 77 G 3.8930 7.4152 118.5334 44.4083 0.0000 177.1938 *79 S 4.2285 8.9508 120.1383 57.5065 64.9214 173.8621 80 G 3.8334 8.9618 111.7374 47.8027 0.0000 175.6640 81 A 4.0056 7.9248 122.4079 55.1878 18.6122 179.2404 82 L 3.8888 8.1252 119.2445 58.1878 42.1179 179.1352 83 K 3.9123 8.0787 119.7126 59.2473 31.7716 178.4074 84 N 4.2722 8.0779 116.9662 56.5995 38.5019 176.8175 85 A 4.2473 8.0268 122.1681 54.9597 17.9556 179.4627 86 L 4.1152 7.7964 117.2966 57.4284 41.5100 178.8366 87 D 4.2032 7.4233 117.6070 56.1162 40.7009 178.0370 88 F 4.5655 7.2910 117.7926 60.1356 39.4539 175.7883 89 L 4.4895 7.5006 116.4802 54.6987 43.5042 174.4999 90 S 4.6402 8.1389 111.8224 57.2662 66.0189 175.9104 91 S 4.5453 8.5785 115.7580 61.2937 61.9881 175.7454 92 E 4.2658 7.8160 120.6674 58.2060 29.3896 177.5204 93 Q 4.4826 8.1892 115.0363 55.4717 30.3906 176.2594 94 F 4.9567 7.5202 117.6760 56.7539 41.0844 174.5046 95 K 4.3617 8.1168 118.7193 57.0449 31.6457 175.2466 96 Y 3.6696 8.5788 122.6638 58.4291 36.9527 169.9436 97 K 4.3124 8.8641 124.1770 55.3209 33.5557 174.4282 98 P 4.9063 0.0000 0.0000 63.2655 32.4071 175.4807 99 V 5.0483 9.0796 123.4114 61.0304 35.7300 173.9582 100 A 4.7921 8.4351 126.4617 50.0193 21.5206 175.4597 101 L 4.4444 8.3971 122.5919 54.9615 43.7500 176.4812 102 L 4.7281 8.4759 123.9287 54.2896 45.5033 173.9300 103 A 5.2447 8.9076 128.4497 50.1008 22.5070 175.1054 104 V 4.7108 8.5373 120.0396 61.2195 33.7948 174.6100 105 A 5.0111 8.5592 128.6625 49.2362 22.9576 175.4410 106 G 3.6091 8.5045 105.5865 46.2125 0.0000 175.4448 107 G 4.2288 8.2164 110.5175 45.1770 0.0000 174.2749 108 G 3.7722 8.3601 107.2235 46.8568 0.0000 174.8444 109 K 4.2731 8.6485 120.8720 56.3887 32.8671 177.1075 110 G 3.7768 7.2386 107.2029 46.2843 0.0000 172.7029 111 G 4.2115 9.6958 112.2666 46.5118 0.0000 176.7461 112 I 3.6428 8.0465 121.3800 64.2054 37.1444 178.1878 113 N 4.3020 8.1449 116.4226 55.9995 38.1480 177.3082 114 A 3.9313 8.0239 121.1034 54.9943 18.6974 179.0753 115 L 4.0185 7.8051 116.3789 58.2846 42.0059 179.2182 116 N 4.4356 8.3590 116.4079 56.2520 38.3423 176.9543 117 N 4.3016 7.7145 113.9617 54.7182 38.4159 176.0996 *119 R 4.1092 7.7709 119.0915 56.4609 31.7239 176.7607 120 T 3.9183 8.0005 113.2158 66.7165 68.7290 176.1030 121 V 3.6968 7.8056 119.3260 63.3105 31.2077 177.4764 *123 R 4.1209 8.1300 120.7600 55.6079 31.6049 177.6477 124 G 3.6055 7.8000 106.1092 48.2181 0.0000 174.2656 125 V 4.1029 7.6315 112.1157 61.1707 31.9282 176.0298 126 Y 3.1197 8.0228 117.9610 58.0681 37.7470 169.4748 127 A 4.8051 7.7078 119.5984 52.2237 19.8154 177.6266 128 N 4.7257 8.8461 116.2484 51.7235 39.9990 172.0629 129 V 4.3181 7.9358 123.4531 61.6727 32.3291 175.2975 130 I 3.2508 8.1256 122.6923 60.0903 37.7551 174.2577 131 P 4.2273 0.0000 0.0000 65.5656 31.3041 176.9440 132 K 3.9620 7.6459 118.5868 56.7085 32.3218 175.7004 133 Q 4.7894 8.3262 123.0673 54.4705 32.0569 173.8246 134 L 4.8838 8.3576 121.2929 53.3524 46.2887 175.1385 135 V 4.9038 8.2261 122.0086 61.0906 34.6377 174.3492 136 L 4.6263 8.9429 128.2696 53.2897 43.7948 176.1891 137 D 5.3205 8.6852 123.7946 51.5989 42.9079 175.8566 138 P 4.2401 0.0000 0.0000 65.8432 31.3619 179.4680 139 V 3.5489 7.7282 116.1334 64.2423 31.4982 176.3014 140 H 4.6716 8.4816 117.0363 55.6170 29.1510 174.2766 141 I 4.7025 7.7157 121.3544 59.5401 39.6041 175.8758 142 D 4.6452 8.5717 126.6083 52.1602 39.5002 176.6095 143 V 3.6652 7.9225 122.9886 65.0024 32.2369 176.9442 144 E 4.1223 7.9950 119.1074 58.8591 29.3752 178.2616 145 N 4.8040 7.9250 113.5382 53.3255 38.2716 174.2800 146 A 3.7895 8.1484 117.4989 53.5472 16.2542 176.7393 147 T 4.7366 7.6588 115.7625 60.4867 71.9098 174.1992 148 V 3.9530 8.0547 119.5990 60.9728 32.4784 176.0260 149 A 4.0152 8.5588 126.8063 51.9430 19.0916 178.2135 150 E 3.8420 9.2058 122.2568 59.8148 29.4182 179.6076 151 N 4.3406 8.2111 114.6468 55.3654 37.2777 175.4690 152 I 4.2771 7.8731 119.5012 61.3264 39.5604 176.8974 153 K 3.9134 7.9413 119.6256 59.7319 31.3724 178.5064 154 E 3.9510 8.1251 118.8377 59.5525 29.7518 178.4513 155 S 4.1477 8.0282 115.0953 61.8813 62.9224 176.5205 156 I 3.6841 7.8600 121.5694 64.9439 36.7913 177.5616 157 K 4.2796 8.4146 121.3539 59.2144 31.9669 178.5061 158 E 4.0822 8.2692 117.2478 58.7669 29.4636 178.8897 159 L 3.8747 7.7316 121.6216 58.2982 42.2960 178.9415 160 V 3.4442 7.6748 118.1656 65.8094 31.1144 177.6704 161 E 4.0054 8.2696 118.8654 59.3044 29.6060 178.1860 162 E 4.1746 8.3623 118.7459 58.8198 29.9290 178.1471 163 L 4.1571 8.0750 121.0958 57.9081 42.3267 181.4059 164 S 4.1244 8.1372 115.7860 58.2529 62.5918 176.1598 *166 F 4.3692 8.1892 122.2578 58.6508 41.0292 177.5878 167 A 4.1115 8.1374 122.7857 55.2604 18.3152 179.0103 168 K 4.0967 8.2045 113.9731 59.3560 32.4417 178.4984 169 A 4.1076 8.3118 120.9610 54.6004 18.3424 177.3679 170 G 3.7385 7.6602 106.7738 45.7783 0.0000 172.2966 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 4 L 8.04 4.54 0.00 1.77 1.59 0.94 0.41 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 5 V 9.04 4.63 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 0.96 0.00 0.00 0.90 0.00 0.00 6 I 8.63 4.80 1.85 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 1.05 0.61 0.86 0.00 0.00 7 N 8.87 4.80 0.00 2.86 2.67 0.00 0.00 6.66 7.96 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 8 G 8.54 3.57 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 0.00 0.00 0.00 9 T 7.96 3.87 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 1.33 0.00 0.00 10 P 0.00 4.54 0.00 2.29 2.20 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 11 R 7.68 4.38 0.00 1.75 1.68 0.00 3.12 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 K 8.85 4.05 0.00 1.82 1.94 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.49 7.81 13 H 7.85 5.00 0.00 3.22 3.36 0.00 5.69 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 14 G 7.66 4.20 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 0.00 15 R 8.41 3.96 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 16 T 7.86 3.92 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 1.22 0.00 0.00 17 R 7.60 4.16 0.00 1.84 2.09 0.00 3.30 0.00 0.00 3.44 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 18 I 7.78 3.68 2.06 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 1.60 0.72 0.97 0.00 0.00 19 A 7.75 4.02 1.37 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 0.00 0.00 0.00 20 A 8.10 3.93 1.41 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 0.00 0.00 21 S 8.14 4.08 0.00 4.12 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 22 Y 8.42 4.14 0.00 3.06 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 23 I 8.14 3.52 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 1.49 1.02 0.74 0.00 0.00 24 A 8.58 4.55 1.40 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 0.00 0.00 25 A 8.25 4.03 1.40 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 0.00 0.00 26 L 8.08 3.81 0.00 1.11 1.40 0.71 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.98 4.22 0.00 3.16 2.92 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 28 H 8.02 4.31 0.00 3.23 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.70 4.81 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 1.33 0.00 0.00 30 D 8.61 4.70 0.00 2.83 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 31 L 8.53 5.06 0.00 1.66 1.52 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.61 4.36 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.71 0.26 0.00 0.00 33 D 8.48 4.83 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.08 4.61 0.00 1.98 1.74 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.14 4.51 0.00 3.95 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 36 E 8.17 4.50 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.53 0.00 37 F 8.64 4.32 0.00 3.18 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 38 V 7.73 4.59 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 0.96 0.00 0.00 1.03 0.00 0.00 39 L 8.31 4.92 0.00 2.03 1.71 1.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.55 0.00 2.31 2.12 0.00 3.87 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 41 V 8.43 3.80 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 0.94 0.00 0.00 0.98 0.00 0.00 42 F 8.37 4.38 0.00 1.91 2.69 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 43 N 8.55 4.46 0.00 2.63 2.71 0.00 0.00 6.95 7.82 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 44 G 6.53 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 45 E 7.81 4.56 0.00 2.14 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 0.00 2.28 2.27 0.00 46 A 8.73 3.92 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 47 E 8.37 3.94 0.00 2.08 2.13 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 2.29 2.28 0.00 48 Q 8.33 4.05 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 49 S 8.01 4.42 0.00 4.08 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 50 E 8.01 4.72 0.00 1.88 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 2.21 2.31 0.00 51 L 7.61 4.62 0.00 1.69 1.03 0.95 0.96 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 52 L 8.54 4.36 0.00 1.56 1.45 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.64 3.55 0.00 1.58 1.48 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.56 0.21 7.81 54 V 7.69 3.48 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 0.83 0.00 0.00 0.38 0.00 0.00 55 Q 7.95 4.08 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 56 E 7.69 3.94 0.00 1.99 2.30 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 2.59 2.44 0.00 57 L 8.48 3.90 0.00 2.08 1.94 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.01 3.90 0.00 1.98 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.81 7.81 59 Q 7.98 3.93 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 60 R 8.41 3.92 0.00 1.77 2.11 0.00 3.34 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 61 V 7.43 3.50 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 0.04 0.00 0.00 0.87 0.00 0.00 62 T 7.48 3.92 4.19 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 1.27 0.00 0.00 63 K 7.52 4.22 0.00 1.87 1.93 0.00 1.86 0.00 0.00 1.70 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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 82 L 8.13 3.89 0.00 1.68 1.73 0.89 0.42 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 83 K 8.08 3.91 0.00 1.88 1.75 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.61 7.81 84 N 8.08 4.27 0.00 2.91 2.96 0.00 0.00 7.06 7.45 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 85 A 8.03 4.25 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 86 L 7.80 4.12 0.00 1.83 1.65 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.42 4.20 0.00 2.30 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 0.00 0.00 0.00 0.00 88 F 7.29 4.57 0.00 3.27 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 89 L 7.50 4.49 0.00 1.92 1.74 1.02 0.86 0.00 0.00 0.00 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0.00 0.00 1.45 1.40 7.81 133 Q 8.33 4.79 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 134 L 8.36 4.88 0.00 1.68 1.44 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.23 4.90 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 0.92 0.00 0.00 0.90 0.00 0.00 136 L 8.94 4.63 0.00 1.58 1.55 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.69 5.32 0.00 2.61 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 0.00 138 P 0.00 4.24 0.00 2.16 2.11 0.00 3.60 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 139 V 7.73 3.55 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 0.49 0.00 0.00 0.83 0.00 0.00 140 H 8.48 4.67 0.00 3.36 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.72 4.70 1.87 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 1.33 0.88 0.90 0.00 0.00 142 D 8.57 4.65 0.00 2.61 2.65 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 0.00 143 V 7.92 3.67 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 0.83 0.00 0.00 0.94 0.00 0.00 144 E 8.00 4.12 0.00 2.00 2.17 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 2.33 2.30 0.00 145 N 7.92 4.80 0.00 2.84 2.85 0.00 0.00 6.21 7.26 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 0.00 146 A 8.15 3.79 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 0.00 147 T 7.66 4.74 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 1.25 0.00 0.00 148 V 8.05 3.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 -0.27 0.00 0.00 149 A 8.56 4.02 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 0.00 150 E 9.21 3.84 0.00 1.98 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 0.00 2.40 2.35 0.00 151 N 8.21 4.34 0.00 2.88 2.98 0.00 0.00 5.78 7.81 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 0.00 152 I 7.87 4.28 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.98 0.00 0.00 153 K 7.94 3.91 0.00 1.90 2.01 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.53 7.81 154 E 8.13 3.95 0.00 2.10 1.96 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 2.39 2.63 0.00 155 S 8.03 4.15 0.00 3.98 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 0.00 156 I 7.86 3.68 2.02 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 1.53 0.71 0.99 0.00 0.00 157 K 8.41 4.28 0.00 2.14 2.06 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.71 1.47 7.81 158 E 8.27 4.08 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.33 0.00 159 L 7.73 3.87 0.00 1.76 1.86 0.88 0.90 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 0.00 160 V 7.67 3.44 1.75 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 0.51 0.00 0.00 0.56 0.00 0.00 161 E 8.27 4.01 0.00 2.27 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 2.38 2.39 0.00 162 E 8.36 4.17 0.00 2.14 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 0.00 2.58 2.51 0.00 163 L 8.07 4.16 0.00 1.86 1.81 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.14 4.12 0.00 4.15 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *166 F 8.19 4.37 0.00 3.36 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 0.00 167 A 8.14 4.11 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 0.00 168 K 8.20 4.10 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 169 A 8.31 4.11 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.66 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.