NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2111 8.0244 118.5532 59.7545 36.5316 174.3489 5 V 4.2425 8.0399 125.3517 58.9096 34.3791 172.9006 6 D 4.5504 9.3711 127.1513 54.1370 42.2279 175.2328 7 H 4.5113 8.6413 123.2569 56.5519 29.7597 175.5245 8 D 4.5258 8.3154 119.6393 53.4993 40.8630 175.9745 9 E 3.9237 8.6176 127.1303 59.2481 29.5452 178.9635 10 R 3.4809 7.8806 119.2438 59.0969 30.1275 178.3027 11 R 3.3211 8.1189 118.4945 59.0438 29.9343 178.7226 12 R 3.8521 8.2079 118.1388 59.1467 30.0534 178.7969 13 A 4.0654 7.9995 120.4825 55.1343 18.4174 179.6622 14 L 3.9955 8.1392 117.5132 58.0349 41.7582 179.6764 15 A 3.9591 8.3059 120.9811 55.1466 18.1650 179.4192 16 D 4.2902 8.3565 117.3613 57.4695 40.9065 178.7967 17 A 3.9764 8.2538 121.3871 55.0030 18.2566 179.7985 18 V 3.4536 7.8376 116.6961 66.1750 31.5253 178.2778 19 L 3.9024 7.9765 118.3723 57.6593 41.4474 179.1661 20 A 3.9560 8.1878 120.9541 55.2982 18.2697 179.4912 21 L 3.8804 7.9397 118.6024 58.2053 42.2450 179.2326 22 I 3.6004 8.0580 119.9011 64.2670 36.8387 178.1681 23 A 3.9592 7.9426 120.5244 55.1990 18.2813 179.4319 24 R 4.0365 7.7530 115.8450 58.8509 30.4110 176.9648 25 E 4.4708 8.5647 113.7491 55.1052 31.8130 176.9731 26 G 4.0643 7.9410 103.9520 45.1743 0.0000 174.7799 27 I 3.5767 8.1191 119.7122 64.0285 37.2724 179.0114 28 S 4.0463 7.9911 113.7184 61.0345 62.8430 175.2739 29 A 3.9995 7.6371 122.2880 53.6520 18.2955 177.4383 30 V 3.7498 7.4255 116.9733 62.6152 31.6874 175.8103 31 T 4.7022 7.9804 116.5982 59.5170 72.9670 174.6042 32 T 3.8861 8.4618 118.4568 66.9324 68.4945 177.1705 33 R 3.9296 7.9552 119.3531 59.1734 30.1151 178.7963 34 A 4.0211 8.3212 120.9655 55.0397 18.3452 179.9277 35 V 3.5300 8.1292 116.8303 65.8060 31.5165 177.9917 36 A 4.1691 8.3112 120.9163 55.3368 18.0262 179.2298 37 E 3.8367 8.0265 116.2557 59.4627 29.8089 178.2884 38 E 4.0449 8.3821 118.7894 58.7973 29.7546 178.1127 39 S 4.5101 8.2803 112.8082 58.1656 64.0742 175.3774 40 G 3.6259 8.4090 109.8934 44.5962 0.0000 173.1134 41 W 4.7818 7.1794 118.9784 55.0846 31.1984 176.6247 42 S 4.6164 8.5120 115.1160 58.0736 65.0217 175.2292 43 T 4.0847 8.6594 113.9161 65.0368 68.1348 176.5833 44 G 3.7282 8.2095 108.0710 47.7139 0.0000 175.6216 45 V 3.6469 7.8376 120.7433 65.7424 31.6190 178.0847 46 L 4.2619 8.1459 118.6873 58.1315 41.3402 179.3744 47 N 4.6064 8.7759 115.0973 55.9246 38.4939 176.3067 48 H 4.4966 7.7604 116.1247 57.0347 29.2855 176.5163 49 Y 3.8494 7.2826 118.2229 59.8816 37.0222 175.0250 50 F 4.8350 8.4795 115.9938 57.2772 41.8627 176.7281 51 G 4.2672 8.1451 108.2330 45.9827 0.0000 173.5458 52 S 4.6601 7.1811 110.2691 56.3792 67.4415 176.5033 53 R 3.8648 8.1844 123.7645 59.6792 29.8240 178.2712 54 H 4.1931 8.3068 117.7546 59.5654 29.8092 176.9648 55 E 4.0439 8.2531 119.8295 59.0635 29.1363 179.0766 56 L 2.8179 7.6153 119.9881 57.8722 42.0587 179.0692 57 L 3.8708 8.1814 119.2620 57.6377 41.4621 179.3022 58 L 3.4168 8.3020 120.2822 57.7828 41.9190 178.6403 59 A 3.9518 8.1416 120.8386 55.3130 18.1795 179.5358 60 A 3.8328 7.5044 119.1504 55.0029 18.4580 179.4224 61 L 3.5834 7.9767 119.1088 58.4657 42.0762 179.5909 62 R 3.9525 7.9634 117.8569 59.0803 29.9857 179.0180 63 R 3.8505 8.2325 118.4815 59.3494 30.1316 178.1706 64 A 4.1476 8.3647 121.0372 55.4141 18.3630 179.8044 65 G 3.9337 8.4382 103.9809 48.1468 0.0000 175.6933 66 D 4.3735 8.2652 121.1767 57.2759 40.8678 178.8332 67 I 3.6523 7.8393 120.2960 64.3556 37.0591 178.1560 68 Q 3.7328 8.1622 120.4538 59.1108 28.8332 178.6425 69 G 3.5757 7.9680 106.5577 48.0023 0.0000 175.3664 70 D 4.3806 8.0443 121.1056 57.0225 40.7216 179.0090 71 R 3.8613 7.8903 118.7336 59.3646 30.0181 178.5331 72 Y 4.3655 7.5830 116.3947 61.2787 38.0072 178.7581 73 R 3.9630 7.9524 118.7836 59.9161 30.0344 179.1298 74 T 3.8934 7.7736 113.5701 66.7314 68.2422 176.5064 75 I 3.8946 8.0113 121.6945 64.5070 36.9716 178.6234 76 L 4.1079 8.2673 118.8589 57.1941 41.4689 178.2493 77 D 4.8257 7.6149 116.1316 52.8592 41.1820 175.9661 78 E 4.0201 7.4882 122.4429 55.4796 29.9885 175.6661 79 E 3.9606 8.6646 128.0296 57.6361 30.0630 176.5685 80 G 3.9642 9.0141 114.9172 45.1789 0.0000 173.3920 81 A 4.5892 6.7987 122.2253 51.4287 19.0471 177.9524 82 G 4.0591 8.6602 108.9926 42.4952 0.0000 173.1438 83 P 4.2492 0.0000 0.0000 65.8490 31.1032 179.1306 84 I 3.8156 7.6467 117.8963 64.2070 37.0821 177.9790 85 E 3.9750 8.1488 118.9816 59.3152 29.3185 179.4153 86 K 3.9825 8.2499 118.4456 59.5648 32.1618 179.2334 87 L 4.0302 7.9044 119.1483 58.1066 41.4501 179.9597 88 R 3.9786 8.2522 117.9034 59.2935 29.9565 178.9384 89 N 4.3819 8.4329 116.6158 56.1612 38.3348 177.5139 90 I 3.7904 8.1992 120.6294 64.7445 37.5970 178.3219 91 T 4.1594 8.1889 116.1992 66.7474 68.3437 176.4035 92 A 4.0521 8.3321 123.1967 55.3617 18.1532 179.5878 93 S 4.1976 7.8894 110.8465 60.6380 63.1506 175.8194 94 I 3.9186 7.3534 122.3798 61.5117 37.5961 176.0704 95 L 4.2011 7.2102 120.7202 53.7968 42.3286 176.5837 96 P 4.5985 0.0000 0.0000 62.2157 29.3352 175.9321 97 L 4.5731 7.6405 118.7149 55.3391 43.5165 176.1474 98 D 4.7779 7.4461 118.1094 50.8610 43.8096 175.4808 99 E 3.9099 8.6534 117.8065 59.5566 29.1189 179.2833 100 R 3.8564 7.9045 116.8616 59.8534 30.2310 178.3387 101 R 4.0732 8.2039 116.0356 58.5395 30.3834 178.4097 102 L 4.1209 8.4767 120.5791 58.0405 42.0078 179.9948 103 A 4.0164 7.8719 117.4284 53.2072 18.0329 179.1272 *105 T 4.1885 7.8761 119.3106 65.2691 70.8824 176.8700 106 R 3.8980 8.1815 120.4719 59.2898 30.0699 179.5710 107 V 3.6488 8.1783 119.3941 64.7064 31.4164 178.4848 108 F 3.7532 8.0884 118.0071 60.0013 38.8259 177.0258 109 L 3.5416 8.0266 120.3250 57.9728 41.3086 178.5843 110 F 3.8766 8.1086 120.3980 61.6501 39.3070 177.2679 111 F 4.2766 8.3091 116.7845 60.0935 38.4062 177.2444 112 Y 4.3571 8.5313 116.4376 61.4290 37.8470 178.3986 113 A 4.1502 7.8064 119.8517 55.2660 18.5309 179.2521 114 E 4.0758 7.6614 115.5881 58.0455 29.7560 178.0111 115 G 3.7292 7.5392 109.4108 45.5547 0.0000 173.8226 *120 T 4.2699 8.1515 110.9293 60.5143 69.9636 175.8270 121 A 4.5471 8.4033 134.0157 50.7962 17.8770 178.3107 122 R 4.3909 7.9067 119.3857 57.8962 30.5259 178.4485 123 G 3.5945 7.9886 107.0146 47.9250 0.0000 175.4247 124 E 4.0961 8.1239 120.6319 59.1255 29.4601 179.3414 125 I 4.0911 7.8639 119.0911 64.4893 37.2375 177.9691 126 A 4.0462 8.3495 121.5109 55.3529 18.1934 179.5107 127 A 4.0133 8.2730 119.1149 55.2153 18.5771 179.6661 128 F 4.1403 8.7000 119.1594 61.5857 39.5002 177.3872 129 L 4.3275 8.6496 118.6411 57.9613 41.4366 179.4698 130 A 4.0404 8.4897 121.0122 55.1335 18.4229 179.9380 131 R 3.9258 8.1585 116.7769 58.7113 30.1201 179.1405 132 W 3.8363 8.0152 127.9591 60.5845 30.7428 178.2931 133 R 3.8151 8.3595 118.5790 59.0128 29.4931 179.1969 134 G 3.6013 8.0503 105.5005 48.1228 0.0000 176.1880 135 V 3.6256 7.4750 114.7143 63.4790 31.4199 178.9850 136 V 3.5592 7.6131 118.1115 65.9381 31.3504 177.8486 137 R 3.9076 8.3553 120.0704 58.8953 29.7786 177.9563 138 E 3.9201 7.9686 117.9178 59.9146 29.4248 179.7164 139 S 4.1591 7.8357 114.7211 60.9706 62.8164 176.9693 140 V 3.5325 7.9931 121.5294 65.9951 31.2459 178.2546 141 V 3.6986 8.1006 118.1201 65.8932 31.3075 177.7776 142 A 3.9581 8.3471 120.6469 55.1800 18.2272 179.5016 143 A 3.9423 8.2874 119.4946 55.2555 18.4187 179.8717 144 Q 4.4058 8.2791 118.2061 58.8341 28.6062 179.2615 145 R 3.9509 8.0909 118.0830 59.2874 30.1870 178.5579 146 E 4.1957 8.2422 116.7603 57.2138 29.5993 178.0467 147 G 3.9666 7.9979 107.2538 45.5471 0.0000 174.4273 148 T 4.1297 7.7273 110.3051 62.5289 69.5999 175.1727 149 V 4.3308 7.4284 121.8244 60.1930 34.1970 174.3617 150 S 4.2191 8.6618 120.9240 59.3604 62.4462 174.4460 151 T 4.2499 8.4163 120.4340 63.1595 67.3853 174.6910 152 D 4.5221 8.0473 120.0701 56.8927 41.2492 176.7892 153 L 4.1712 7.4327 119.2928 53.9919 42.4969 176.6280 154 D 4.4559 8.5716 122.0135 53.7956 42.1324 177.0880 155 A 4.0179 8.6381 129.4531 55.1873 18.4320 178.9323 156 D 4.2308 8.3247 117.5251 57.5236 40.8606 178.8137 157 A 3.9714 7.8657 120.8367 54.9171 18.4031 179.6364 158 V 3.4870 7.8602 116.8152 66.4355 31.4175 178.4551 159 T 3.7406 7.8264 115.3686 66.6091 68.3303 176.8169 160 V 3.4331 7.6950 119.8968 65.8220 31.4445 177.9057 161 A 3.9212 8.0725 120.5180 55.0707 18.1761 179.4005 162 L 3.8464 8.1720 119.2938 58.2701 42.1647 179.3524 163 V 2.8917 7.6988 118.0642 65.5810 31.2024 177.9165 164 A 3.9095 7.8742 120.5479 54.9250 18.1821 179.3525 165 L 3.9124 8.0652 118.9781 58.6800 42.1208 179.3743 166 T 3.9926 8.2485 115.9474 66.7577 68.3591 176.2767 167 D 4.7332 8.6777 120.2375 57.2669 41.2819 178.2721 168 G 3.7777 8.5456 106.7138 47.9675 0.0000 175.6293 169 L 4.0141 8.2826 121.2352 57.4273 41.4677 179.3838 170 A 4.0237 8.1660 119.7506 55.2270 18.2576 179.4725 171 L 4.1040 8.2904 117.6403 58.1341 41.7393 179.7449 172 Q 4.0251 8.3937 117.8958 58.8954 28.3809 178.7252 173 A 4.0303 8.0723 121.3929 54.7573 18.4895 178.9572 174 I 3.9882 7.3820 109.0598 62.2798 38.1264 176.5115 175 L 4.4325 7.6856 119.1363 55.0987 43.6846 175.6570 176 D 4.6193 8.3551 117.8545 51.4536 42.7813 173.9662 177 P 4.3271 0.0000 0.0000 65.4374 31.8936 177.9778 178 V 3.7208 8.2012 119.5562 66.0514 31.5828 178.0479 179 V 3.6716 7.5455 119.0349 63.1902 31.5600 177.8923 *181 K 4.1197 8.3067 119.6938 56.1200 33.8777 176.9319 182 A 4.0065 7.9706 121.7789 55.3404 18.1826 179.3979 183 I 4.0086 7.7393 106.2960 62.5865 37.9967 176.9417 184 S 4.3215 7.7528 115.9344 59.3850 63.4420 174.4771 185 A 4.1211 7.6005 125.1370 51.7170 18.6975 178.0488 186 E 3.9184 8.9652 123.1979 59.1029 29.8145 177.3907 187 D 4.7397 7.9945 115.6048 53.1763 40.2346 177.7092 188 A 3.9583 8.1134 123.6418 55.7047 18.3341 180.1803 189 A 3.9585 8.0220 118.5015 55.3298 18.4916 179.5656 190 A 3.9996 7.9699 118.7911 55.3242 18.5302 179.9255 191 R 3.8944 8.3969 117.0193 59.4291 30.1536 179.0674 192 C 4.1433 8.0918 116.5585 62.8029 28.1889 176.2846 193 V 3.5790 7.8285 119.6432 66.2210 31.1248 177.6673 194 D 4.3590 8.2983 118.4081 57.4285 40.4249 178.7443 195 A 4.0213 7.9417 119.9682 55.0205 18.4224 179.3224 196 A 4.0815 7.7052 118.2947 54.9778 18.6863 179.4649 197 V 3.9650 7.7112 107.3477 60.0793 33.4207 176.0552 198 R 3.6496 7.8444 117.2213 58.5001 26.6468 176.0789 199 R 3.9891 8.5997 121.0053 56.7455 31.5943 175.3793 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 I 8.02 4.21 1.87 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 1.30 1.21 0.91 0.00 0.00 5 V 8.04 4.24 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 0.85 0.00 0.00 0.92 0.00 0.00 6 D 9.37 4.55 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.64 4.51 0.00 3.19 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.32 4.53 0.00 2.77 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 9 E 8.62 3.92 0.00 2.21 2.21 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 2.36 2.34 0.00 10 R 7.88 3.48 0.00 1.52 1.82 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 11 R 8.12 3.32 0.00 1.72 1.78 0.00 3.35 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 12 R 8.21 3.85 0.00 2.01 1.95 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 13 A 8.00 4.07 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 0.00 0.00 0.00 0.00 0.00 14 L 8.14 4.00 0.00 1.73 1.80 0.51 1.21 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 15 A 8.31 3.96 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 16 D 8.36 4.29 0.00 2.91 2.74 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 17 A 8.25 3.98 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 18 V 7.84 3.45 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 0.98 0.00 0.00 0.82 0.00 0.00 19 L 7.98 3.90 0.00 1.87 1.68 0.94 0.69 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 20 A 8.19 3.96 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 21 L 7.94 3.88 0.00 1.96 1.82 0.95 0.93 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 22 I 8.06 3.60 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.90 0.00 0.00 23 A 7.94 3.96 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 24 R 7.75 4.04 0.00 1.92 1.94 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 25 E 8.56 4.47 0.00 1.98 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 2.19 0.00 26 G 7.94 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 27 I 8.12 3.58 1.73 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 0.29 0.00 0.00 28 S 7.99 4.05 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 29 A 7.64 4.00 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 30 V 7.43 3.75 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 0.67 0.00 0.00 0.80 0.00 0.00 31 T 7.98 4.70 4.23 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 1.18 0.00 0.00 32 T 8.46 3.89 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 1.35 0.00 0.00 33 R 7.96 3.93 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 34 A 8.32 4.02 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 35 V 8.13 3.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 36 A 8.31 4.17 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 37 E 8.03 3.84 0.00 1.99 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 2.31 2.30 0.00 38 E 8.38 4.04 0.00 2.07 2.14 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 2.47 2.36 0.00 39 S 8.28 4.51 0.00 4.48 4.18 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 40 G 8.41 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 41 W 7.18 4.78 0.00 3.59 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 42 S 8.51 4.62 0.00 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.66 4.08 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 44 G 8.21 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 0.00 0.00 0.00 45 V 7.84 3.65 2.41 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 1.10 0.00 0.00 1.02 0.00 0.00 46 L 8.15 4.26 0.00 2.07 1.95 1.22 0.71 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 47 N 8.78 4.61 0.00 2.73 2.83 0.00 0.00 7.06 8.02 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 48 H 7.76 4.50 0.00 2.98 3.17 0.00 5.65 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 49 Y 7.28 3.85 0.00 2.35 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 50 F 8.48 4.84 0.00 3.08 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 51 G 8.15 4.27 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 123 G 7.99 3.59 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 0.00 0.00 0.00 124 E 8.12 4.10 0.00 1.89 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 2.20 0.00 125 I 7.86 4.09 2.15 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.78 0.94 0.00 0.00 126 A 8.35 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.27 4.01 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 0.00 128 F 8.70 4.14 0.00 3.53 3.45 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 0.00 129 L 8.65 4.33 0.00 1.99 1.78 0.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.49 4.04 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 0.00 131 R 8.16 3.93 0.00 1.92 2.05 0.00 3.21 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.01 0.00 132 W 8.02 3.84 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 0.00 133 R 8.36 3.82 0.00 1.86 1.85 0.00 3.05 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 0.00 134 G 8.05 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 0.00 135 V 7.48 3.63 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.33 0.00 0.00 136 V 7.61 3.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 137 R 8.36 3.91 0.00 1.88 1.89 0.00 3.17 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 138 E 7.97 3.92 0.00 2.20 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 2.31 2.56 0.00 139 S 7.84 4.16 0.00 3.81 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 0.00 140 V 7.99 3.53 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 1.06 0.00 0.00 0.98 0.00 0.00 141 V 8.10 3.70 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 1.02 0.00 0.00 0.91 0.00 0.00 142 A 8.35 3.96 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 0.00 143 A 8.29 3.94 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 0.00 144 Q 8.28 4.41 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 145 R 8.09 3.95 0.00 1.90 1.99 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 146 E 8.24 4.20 0.00 2.07 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 2.49 0.00 147 G 8.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 7.73 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 149 V 7.43 4.33 2.07 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 0.99 0.00 0.00 0.93 0.00 0.00 150 S 8.66 4.22 0.00 3.88 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 0.00 151 T 8.42 4.25 4.23 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 1.20 0.00 0.00 152 D 8.05 4.52 0.00 2.71 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 0.00 153 L 7.43 4.17 0.00 1.82 1.58 0.92 0.79 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 0.00 154 D 8.57 4.46 0.00 2.69 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 0.00 155 A 8.64 4.02 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 0.00 156 D 8.32 4.23 0.00 2.89 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 0.00 157 A 7.87 3.97 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 0.00 158 V 7.86 3.49 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 1.09 0.00 0.00 0.97 0.00 0.00 159 T 7.83 3.74 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 1.12 0.00 0.00 160 V 7.69 3.43 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 0.94 0.00 0.00 0.90 0.00 0.00 161 A 8.07 3.92 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 0.00 162 L 8.17 3.85 0.00 1.70 1.60 0.99 0.78 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 0.00 163 V 7.70 2.89 1.63 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 -0.34 0.00 0.00 0.00 0.00 0.00 164 A 7.87 3.91 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 0.00 165 L 8.07 3.91 0.00 1.81 1.94 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 166 T 8.25 3.99 4.76 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 1.48 0.00 0.00 167 D 8.68 4.73 0.00 3.29 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.55 3.78 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 0.00 0.00 0.00 169 L 8.28 4.01 0.00 1.94 1.77 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.17 4.02 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 0.00 171 L 8.29 4.10 0.00 1.76 1.76 1.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.39 4.03 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 173 A 8.07 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 0.00 174 I 7.38 3.99 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 0.96 0.00 0.00 175 L 7.69 4.43 0.00 1.76 1.74 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.36 4.62 0.00 2.61 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 0.00 177 P 0.00 4.33 0.00 2.22 2.18 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 178 V 8.20 3.72 2.21 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 0.92 0.00 0.00 0.96 0.00 0.00 179 V 7.55 3.67 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 1.04 0.00 0.00 0.98 0.00 0.00 *181 K 8.31 4.12 0.00 1.91 2.01 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 182 A 7.97 4.01 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 0.00 183 I 7.74 4.01 1.89 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 1.50 0.65 0.94 0.00 0.00 184 S 7.75 4.32 0.00 4.01 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 0.00 185 A 7.60 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 0.00 186 E 8.97 3.92 0.00 1.94 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 2.30 2.33 0.00 187 D 7.99 4.74 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 0.00 188 A 8.11 3.96 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 0.00 189 A 8.02 3.96 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 0.00 190 A 7.97 4.00 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 0.00 191 R 8.40 3.89 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 192 C 8.09 4.14 0.00 3.22 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.83 3.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.01 0.00 0.00 194 D 8.30 4.36 0.00 2.93 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 0.00 195 A 7.94 4.02 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 0.00 196 A 7.71 4.08 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 0.00 197 V 7.71 3.97 2.07 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 0.83 0.00 0.00 0.97 0.00 0.00 198 R 7.84 3.65 0.00 1.95 1.97 0.00 3.51 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 199 R 8.60 3.99 0.00 1.81 1.81 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.