NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4714 8.3349 116.7972 58.0460 64.2412 175.0847 1 L 3.8329 8.1176 129.4350 58.0921 41.5249 174.2501 2 Y 5.0108 8.0412 114.1057 56.3126 43.5238 173.6082 3 K 5.0390 8.4555 123.4184 54.7598 34.7517 174.4803 4 L 5.2047 8.9089 129.7863 53.5940 44.5677 174.4415 5 Y 4.9545 9.5023 125.1298 57.6268 39.5201 174.4052 6 S 4.4062 8.8424 119.8311 57.8283 65.6651 173.5799 *8 Q 4.2352 8.8676 116.5753 56.3233 30.3204 177.1037 9 R 4.4231 7.8685 112.8241 56.0620 30.5953 176.1828 10 S 4.6223 7.8736 114.4710 57.2107 63.4592 174.5135 11 G 2.8142 8.5723 116.4128 47.7845 0.0000 174.7856 12 N 4.3885 8.0802 118.1477 56.2699 38.6671 177.5520 13 S 3.9943 7.7586 115.2964 61.7575 62.9257 175.9967 14 Y 4.1947 8.0497 122.2007 60.5504 38.4341 178.0299 15 K 3.4716 7.9438 119.4657 59.7975 32.2537 179.3414 16 V 3.5009 7.1895 117.6014 65.7834 31.3951 178.3137 17 R 3.7832 7.8312 118.0585 58.8541 29.8027 178.7459 18 L 3.4855 8.0901 120.2793 57.8196 41.9708 178.7850 19 A 3.7941 7.5837 120.6554 55.1007 18.2196 179.4866 20 L 3.7834 7.6692 117.1159 57.8079 41.4504 179.6461 21 A 3.8668 7.6403 119.0699 55.3229 18.4409 179.2713 22 L 3.9328 8.1451 116.3898 57.5914 41.7489 179.0333 23 L 4.2651 7.8471 116.3361 53.7452 42.2919 175.8280 24 D 4.3388 8.0337 117.2696 55.1054 39.9002 173.1467 25 A 4.6107 8.0014 119.2333 50.4025 20.0323 175.9835 26 P 4.9570 0.0000 0.0000 62.5191 33.1071 174.6941 27 Y 5.1991 8.0939 118.6143 56.4473 40.8620 173.5018 28 R 4.4195 9.0935 122.0165 54.8251 31.3093 175.5654 29 A 4.8233 8.4317 128.5016 51.9843 19.9281 176.6743 30 V 4.2552 8.4495 119.3401 61.1406 34.9597 173.8896 31 E 4.7616 8.9649 129.7275 55.8431 30.1750 175.4444 32 V 4.3012 8.3870 127.3256 61.2450 33.8780 175.1144 33 D 4.5436 8.9396 128.1164 53.0887 41.0496 177.3828 34 I 3.5944 8.1648 125.1179 63.7037 37.6065 178.7589 35 L 3.7679 7.9211 118.5622 57.8204 41.3486 178.8182 36 R 4.4028 7.4174 114.8355 56.0985 30.5027 176.5337 37 G 3.9955 7.8449 103.7855 46.6832 0.0000 176.7932 38 E 3.9796 8.3441 122.1077 58.5354 29.5182 178.9458 39 S 3.2196 7.7724 112.8215 59.7926 63.9022 173.9158 40 R 4.9046 7.1093 119.6640 54.8006 29.5523 175.1947 41 T 4.7592 7.2975 110.1335 58.6496 73.6995 173.1248 42 P 4.2487 0.0000 0.0000 66.0769 31.1620 178.7695 43 D 4.3645 8.0391 117.0874 57.3442 40.7429 178.4611 44 F 3.6970 8.0198 121.2150 61.0070 39.1822 177.3874 45 L 4.1039 8.3092 118.0908 57.3540 41.4382 178.6784 46 A 4.0328 8.1660 120.7658 54.9443 18.2416 179.3375 47 K 3.5813 6.7882 115.3525 56.8547 32.8958 177.0979 48 N 4.6140 6.7329 117.4650 52.1736 40.9263 174.5207 49 P 3.7008 0.0000 0.0000 63.4609 32.7432 177.0426 50 S 4.6536 7.7252 113.2512 58.1992 64.1750 174.2400 51 G 4.1697 7.7279 104.4906 47.7310 0.0000 174.3278 52 Q 4.6469 7.6338 112.6281 54.2384 30.8416 176.4780 53 V 4.5505 8.1400 121.3017 60.4875 34.4221 173.0672 54 P 5.0304 0.0000 0.0000 62.4851 33.0859 175.1741 55 L 4.9649 8.9405 122.1350 53.4365 45.5031 174.5216 56 L 5.2407 8.8290 128.4927 53.3033 44.2974 174.5490 57 E 4.5062 9.5222 128.6532 55.9582 29.9686 176.1629 58 T 4.4288 9.4445 123.1435 62.7467 68.9158 173.4377 59 A 4.9998 7.3781 123.0574 50.1421 21.2612 172.2740 60 P 4.4902 0.0000 0.0000 62.8316 32.5324 176.1161 61 G 4.2652 8.5983 109.5592 45.9668 0.0000 172.2617 62 R 4.3737 6.9695 119.5632 54.4565 31.9235 174.5791 63 Y 5.1533 8.5251 123.2863 56.1981 41.4695 174.8724 64 L 4.7986 8.9900 122.1483 53.4863 45.3598 175.4667 65 A 4.8137 8.7434 127.0142 51.1758 22.2762 172.5801 66 E 3.7490 8.8937 123.6325 56.3186 26.8467 175.6335 67 S 4.1173 8.7512 120.0969 61.9391 62.8611 176.3132 68 N 4.4308 8.1562 119.0503 55.7477 38.2858 177.1021 69 A 4.1437 7.8586 121.9419 55.0052 18.7163 179.5540 70 I 3.7875 8.1522 118.7709 64.4293 36.9106 178.6087 71 L 3.9573 8.1853 119.4576 57.5438 41.6849 178.9693 72 W 4.2327 8.2161 128.0032 60.6276 30.3869 177.3266 73 Y 4.1285 8.1880 118.4649 60.8589 38.3574 177.8566 74 L 3.8653 7.7594 118.3136 57.1800 42.0365 178.6096 75 A 4.1288 7.4130 119.2935 51.9466 18.7618 177.4467 76 V 3.2146 6.6847 117.6551 63.9969 31.7803 175.9658 77 G 3.7824 8.7391 114.3502 45.9724 0.0000 172.3549 78 T 4.5851 7.2885 109.8912 58.9086 71.3797 174.9497 79 S 4.2295 8.3860 114.9343 60.2487 62.8535 174.8138 80 L 4.1542 7.7840 120.3664 54.9416 41.7891 175.5867 81 A 4.7772 7.3593 123.0021 49.2191 20.1738 175.1139 82 P 4.5367 0.0000 0.0000 63.0344 32.3662 176.0003 83 D 4.5873 8.5367 117.4776 56.3724 41.6964 177.8939 84 T 4.2777 7.6958 108.3411 60.7007 70.0569 175.2811 85 R 3.9197 8.6290 121.5905 57.9643 30.5969 177.6959 *87 D 4.6636 8.2139 117.5026 54.1694 43.0778 178.1663 88 R 4.0458 8.4477 118.1222 59.1967 29.9141 179.0192 89 A 4.1308 8.3612 120.7930 55.0155 18.0076 179.2026 90 E 3.9530 8.3641 117.2776 59.4067 29.5190 178.7229 91 A 4.2702 7.9805 119.8071 55.3400 18.5703 179.2216 92 L 4.1398 7.7810 115.8582 57.9952 42.0164 179.0140 93 Q 4.2860 8.4613 119.6386 59.0092 28.9657 178.6331 94 W 4.4828 7.8791 119.0028 56.9862 29.5967 178.5710 *96 F 4.7440 8.0352 118.5684 57.7586 40.6659 177.0667 97 F 3.8952 8.4300 122.1087 61.5889 38.9097 176.7391 98 E 3.7772 8.4358 118.4936 59.2933 29.1261 178.6947 99 Q 3.8912 7.5542 118.3142 59.4543 29.3141 177.4122 100 H 4.4146 8.0746 113.9698 57.6639 29.0147 176.5693 101 A 4.0576 7.4712 122.5677 53.7653 19.5967 178.4244 102 L 4.0896 7.0675 117.9641 57.5775 42.6774 178.4016 103 E 3.3693 8.2577 117.9264 58.7546 29.2121 177.1350 104 P 4.2014 0.0000 0.0000 64.6661 31.3626 176.1723 105 N 4.5692 7.7275 113.7604 54.8225 40.1123 176.6423 106 I 3.9871 7.4752 121.4096 63.5226 37.5855 178.4102 107 G 3.5307 7.3662 107.8089 46.3598 0.0000 176.1498 108 S 3.9082 7.0571 117.2287 60.8085 62.5093 176.1808 109 A 4.3114 7.5410 123.5370 55.6902 18.1087 178.6727 110 Y 4.2209 7.7629 115.9891 61.0874 38.5694 178.1670 111 F 3.9304 7.9477 119.5759 61.2608 39.3964 176.8364 112 W 4.5122 7.7301 115.0657 59.5600 29.4254 178.5929 113 L 4.3176 8.3436 117.6196 56.9405 41.5449 177.5891 114 C 4.9435 7.8192 115.7696 56.0408 40.8572 174.1508 115 L 4.2524 7.8774 130.7840 56.2432 44.4625 176.4960 *127 L 3.3235 7.4161 119.7538 54.3531 43.3829 181.2764 128 E 4.0935 7.7818 119.5955 61.8204 29.6697 182.6305 129 D 4.5278 7.6399 121.6882 58.0434 39.8846 180.4424 130 W 4.7133 7.5984 119.9775 59.9006 29.1173 178.4668 131 L 4.2418 7.7266 118.7021 57.5186 41.1197 179.1915 132 E 3.9982 8.2122 118.6458 59.7438 29.5021 179.6983 133 R 4.1745 8.4514 118.0807 58.9608 30.0756 179.5016 134 G 3.6487 8.3955 105.9049 47.9292 0.0000 175.0737 135 Y 4.0758 8.3661 122.1618 60.4616 38.6438 178.0745 136 A 4.2735 8.1582 120.0953 55.0308 18.8567 179.3027 137 A 4.3287 8.1755 119.3227 55.5749 18.3518 179.6391 138 L 3.7171 7.5368 115.9970 58.2012 41.7488 179.6402 139 Q 4.3969 8.3711 118.1407 58.8158 28.6024 179.0939 140 V 4.0239 7.5871 115.8775 63.6010 31.4146 177.1253 *142 E 4.2117 8.0797 119.2418 55.7741 31.2146 177.1774 143 N 4.3203 8.4041 115.5055 57.1063 39.3050 175.9456 144 H 4.2527 8.3501 119.5524 58.9945 29.5570 176.8183 145 L 4.1001 7.4252 120.6041 55.4432 41.4945 178.7793 146 K 3.9153 7.5873 117.9612 59.1776 32.0352 178.1681 147 T 4.3648 7.2340 111.9694 62.6450 69.6158 174.4470 148 N 4.9503 6.9746 116.8594 51.2016 42.2977 175.2845 149 D 4.1419 8.6760 122.0487 56.6483 39.9248 176.3817 150 Y 4.8925 7.2796 114.4537 55.6514 41.8047 176.1906 151 F 3.6145 9.3099 121.5112 59.8448 39.5091 176.0521 152 A 4.8461 7.3893 119.9982 51.3855 21.9291 176.2623 153 A 3.8741 8.9550 121.8687 51.8591 17.2535 177.9742 154 G 4.0286 8.1073 103.2559 46.2877 0.0000 173.3371 155 Q 3.8251 7.4924 113.9544 54.5154 31.6140 173.1821 156 L 3.8725 7.4615 121.2000 55.0417 42.5286 175.8098 157 T 4.8796 8.9312 115.3616 58.8733 72.2009 174.5656 158 I 3.8005 8.0390 113.9447 63.3036 37.3479 177.9228 159 A 4.1137 7.8974 123.4365 55.5707 18.1302 179.3269 160 D 4.9011 8.4549 117.2895 57.6943 41.0452 178.9813 161 I 3.7586 7.9459 119.6632 64.3864 36.9351 178.0030 162 A 4.0460 8.2686 120.6746 55.4131 18.1973 179.4313 163 L 4.2418 8.0956 116.9258 57.7603 41.6857 178.7793 164 Y 4.0682 9.5311 121.1281 60.9919 38.4493 178.4800 165 G 3.9786 7.6802 104.9242 48.2187 0.0000 174.4967 166 Y 4.2661 7.8726 118.5075 59.5250 38.0479 178.0665 167 T 3.9559 7.7273 116.5326 66.9574 68.5412 176.0198 168 H 4.2413 7.9608 120.1391 59.0040 29.6476 177.8125 169 V 3.3210 7.5935 114.0284 64.2279 31.4730 177.7317 170 A 4.5106 7.4610 119.8832 52.8019 17.7664 177.3959 171 D 4.7755 7.8322 120.0809 57.4112 41.9285 178.4952 172 Q 4.1051 8.0403 117.5536 59.4566 28.8395 179.0262 173 C 3.9997 8.4684 114.9990 58.1112 40.6214 174.5006 174 D 4.1874 9.3318 120.8729 50.7957 38.5874 178.8639 *175 F 3.4279 8.7463 121.5147 58.2433 35.3354 178.0586 176 D 4.6420 8.5763 126.0318 53.1096 38.3603 173.4840 177 L 4.6215 8.6500 124.9012 55.1274 42.4765 180.0048 178 S 3.9936 7.8830 113.7948 61.7237 63.2338 175.9249 179 T 3.7927 7.8097 114.6180 62.8211 68.0612 173.9697 180 F 5.1274 8.0460 120.3031 55.9414 38.8949 174.2629 181 P 4.3387 0.0000 0.0000 65.7912 31.4084 178.5387 182 A 4.0471 8.8278 120.4223 54.8879 18.6239 179.2250 183 V 3.7604 8.1324 116.5546 66.1474 31.7336 177.7450 184 N 4.3001 8.5038 115.4242 56.8290 38.4524 177.2254 185 A 4.0832 7.9588 121.8065 54.2546 18.3160 179.4081 186 W 4.1379 8.7788 127.3560 60.1293 31.0690 178.0339 187 L 3.5887 8.2545 118.5383 58.0459 41.1673 179.6399 188 R 4.0309 7.7068 118.2684 58.7868 29.8355 179.1013 189 R 3.8089 7.2267 117.0264 59.3339 30.3975 178.4418 190 V 3.5734 7.6938 118.2848 65.9353 31.3120 177.8201 191 E 2.0000 7.6335 118.0854 58.4131 28.9308 178.5320 192 Q 4.2166 7.1646 115.0337 55.4426 29.6170 176.3476 193 T 3.9094 7.1356 118.2502 62.8104 69.1095 172.0608 194 P 4.2277 0.0000 0.0000 64.1662 31.7909 177.1199 195 G 3.8530 8.7862 109.2237 45.1728 0.0000 173.6727 196 F 3.8641 7.6189 122.6237 58.2007 39.7936 174.1951 197 I 4.3855 6.6857 119.8277 59.0691 41.4176 176.8324 198 T 4.5048 7.8064 113.2368 61.7045 67.0753 175.9562 *200 D 4.5297 8.8247 119.1905 51.8975 40.7720 175.0583 201 W 4.2172 7.8279 130.9112 58.0035 31.1284 174.9453 202 T 4.0860 7.1078 113.7997 59.0189 71.5832 171.9333 203 P 3.8876 0.0000 0.0000 62.6670 31.5839 175.4307 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 0 S 8.33 4.47 0.00 3.90 2.98 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 1 L 8.12 3.83 0.00 1.45 0.55 0.54 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.04 5.01 0.00 2.90 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 3 K 8.46 5.04 0.00 2.02 1.76 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.98 1.38 7.81 4 L 8.91 5.20 0.00 1.72 1.63 0.89 0.71 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 5 Y 9.50 4.95 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.84 4.41 0.00 3.93 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 *8 Q 8.87 4.24 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 9 R 7.87 4.42 0.00 1.87 2.09 0.00 3.50 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 10 S 7.87 4.62 0.00 3.90 3.76 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 11 G 8.57 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 0.00 0.00 0.00 12 N 8.08 4.39 0.00 2.84 2.95 0.00 0.00 7.14 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 13 S 7.76 3.99 0.00 4.11 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 14 Y 8.05 4.19 0.00 2.97 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 15 K 7.94 3.47 0.00 2.00 1.78 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.37 7.81 16 V 7.19 3.50 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 0.83 0.00 0.00 0.87 0.00 0.00 17 R 7.83 3.78 0.00 2.06 2.00 0.00 3.41 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 18 L 8.09 3.49 0.00 0.72 1.22 0.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.58 3.79 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.67 3.78 0.00 1.70 1.69 -0.09 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.64 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.15 3.93 0.00 1.58 1.67 0.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.85 4.27 0.00 1.57 1.67 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.03 4.34 0.00 2.76 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 25 A 8.00 4.61 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 26 P 0.00 4.96 0.00 2.11 1.99 0.00 3.67 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 2.08 2.10 0.00 27 Y 8.09 5.20 0.00 3.22 3.14 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 28 R 9.09 4.42 0.00 1.90 1.88 0.00 3.08 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 29 A 8.43 4.82 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 30 V 8.45 4.26 1.68 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 0.98 0.00 0.00 0.66 0.00 0.00 31 E 8.96 4.76 0.00 2.00 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 2.26 2.35 0.00 32 V 8.39 4.30 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 0.25 0.00 0.00 1.04 0.00 0.00 33 D 8.94 4.54 0.00 2.95 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 34 I 8.16 3.59 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.79 0.00 0.00 35 L 7.92 3.77 0.00 1.68 1.60 0.76 0.43 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 36 R 7.42 4.40 0.00 1.63 1.89 0.00 3.44 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 37 G 7.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 3.98 0.00 1.96 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 2.29 2.17 0.00 39 S 7.77 3.22 0.00 4.00 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 40 R 7.11 4.90 0.00 1.92 1.91 0.00 3.12 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 129 D 7.64 4.53 0.00 2.68 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 0.00 130 W 7.60 4.71 0.00 3.49 3.36 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 0.00 131 L 7.73 4.24 0.00 1.68 1.82 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.21 4.00 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 133 R 8.45 4.17 0.00 2.06 2.04 0.00 3.18 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 134 G 8.40 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 0.00 135 Y 8.37 4.08 0.00 3.25 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.16 4.27 1.53 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 0.00 0.00 137 A 8.18 4.33 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 0.00 138 L 7.54 3.72 0.00 1.13 0.26 0.65 0.77 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 0.00 139 Q 8.37 4.40 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.41 2.83 0.00 140 V 7.59 4.02 2.39 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 0.96 0.00 0.00 1.21 0.00 0.00 *142 E 8.08 4.21 0.00 2.41 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 2.44 2.44 0.00 143 N 8.40 4.32 0.00 2.94 2.90 0.00 0.00 7.25 8.62 0.00 0.00 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 H 8.35 4.25 0.00 3.43 3.07 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.43 4.10 0.00 1.50 1.43 0.35 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.59 3.92 0.00 1.72 1.85 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.71 7.81 147 T 7.23 4.36 4.13 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 1.17 0.00 0.00 148 N 6.97 4.95 0.00 2.40 2.50 0.00 0.00 6.85 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 0.00 149 D 8.68 4.14 0.00 2.54 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 0.00 0.00 0.00 150 Y 7.28 4.89 0.00 3.05 3.10 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 0.00 0.00 0.00 151 F 9.31 3.61 0.00 2.87 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 0.00 0.00 0.00 0.00 152 A 7.39 4.85 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 0.00 153 A 8.96 3.87 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 0.00 154 G 8.11 4.03 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 0.00 0.00 0.00 155 Q 7.49 3.83 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 156 L 7.46 3.87 0.00 1.16 1.34 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.93 4.88 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 0.00 158 I 8.04 3.80 1.91 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 1.43 1.18 0.87 0.00 0.00 159 A 7.90 4.11 1.55 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 0.00 0.00 160 D 8.45 4.90 0.00 3.10 3.25 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 0.00 161 I 7.95 3.76 2.02 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 1.46 1.01 0.78 0.00 0.00 162 A 8.27 4.05 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 0.00 163 L 8.10 4.24 0.00 1.91 1.77 -0.08 0.68 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 0.00 164 Y 9.53 4.07 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 7.68 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Y 7.87 4.27 0.00 3.06 2.98 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 0.00 167 T 7.73 3.96 4.41 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 1.40 0.00 0.00 168 H 7.96 4.24 0.00 2.51 2.56 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.59 3.32 1.59 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 0.22 0.00 0.00 0.95 0.00 0.00 170 A 7.46 4.51 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 0.00 171 D 7.83 4.78 0.00 2.83 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 0.00 172 Q 8.04 4.11 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 173 C 8.47 4.00 0.00 3.30 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 0.00 174 D 9.33 4.19 0.00 2.86 2.45 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 *175 F 8.75 3.43 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.58 4.64 0.00 2.69 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 0.00 177 L 8.65 4.62 0.00 1.88 2.03 1.20 0.94 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 0.00 178 S 7.88 3.99 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 T 7.81 3.79 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 180 F 8.05 5.13 0.00 3.11 3.01 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 0.00 181 P 0.00 4.34 0.00 2.27 2.32 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.02 0.00 182 A 8.83 4.05 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 0.00 183 V 8.13 3.76 2.40 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 1.25 0.00 0.00 0.95 0.00 0.00 184 N 8.50 4.30 0.00 3.03 2.96 0.00 0.00 7.06 7.65 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 0.00 185 A 7.96 4.08 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 W 8.78 4.14 0.00 3.22 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.25 3.59 0.00 1.94 1.76 0.97 0.76 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 0.00 188 R 7.71 4.03 0.00 2.15 1.91 0.00 3.19 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 189 R 7.23 3.81 0.00 1.87 1.91 0.00 2.61 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 190 V 7.69 3.57 1.73 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 0.58 0.00 0.00 0.57 0.00 0.00 191 E 7.63 2.00 0.00 1.84 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 1.72 1.63 0.00 192 Q 7.16 4.22 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 193 T 7.14 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 194 P 0.00 4.23 0.00 2.00 1.97 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 2.00 2.07 0.00 195 G 8.79 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 F 7.62 3.86 0.00 2.93 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 0.00 197 I 6.69 4.39 1.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 -0.59 0.00 0.00 198 T 7.81 4.50 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 1.41 0.00 0.00 *200 D 8.82 4.53 0.00 2.84 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 0.00 201 W 7.83 4.22 0.00 3.18 3.29 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 0.00 202 T 7.11 4.09 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 1.15 0.00 0.00 203 P 0.00 3.89 0.00 2.02 1.97 0.00 3.22 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.