NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.8325 8.4401 117.8563 57.6338 30.3280 172.3094 4 A 4.3912 8.5526 115.1904 53.3928 19.9852 175.4958 5 G 3.8820 8.5023 109.5494 45.9673 0.0000 169.6441 6 R 4.5897 8.1175 117.7836 56.3178 30.7674 176.5743 7 T 4.0558 8.1066 106.5205 63.1056 69.8028 176.6019 8 G 3.9481 7.8513 108.9856 44.6017 0.0000 172.9339 9 Y 4.3575 6.4615 115.4988 58.8133 38.6779 177.4390 10 D 4.7416 8.6173 122.7344 52.2178 44.9037 175.9213 11 N 4.6177 9.4757 124.1415 56.4623 36.9174 177.0372 12 R 4.2857 8.0242 121.5981 58.8359 30.2699 177.9616 13 E 3.9937 8.1138 118.7126 59.1434 29.7701 178.4120 14 I 3.6865 8.1913 120.3767 64.6487 37.2368 178.6152 15 V 4.0354 8.0347 118.7317 66.1937 31.2828 177.8298 16 M 4.4566 8.2756 118.5663 58.6214 31.9537 178.9012 17 K 4.0689 8.4089 118.5895 59.7685 32.3054 178.5259 18 Y 4.3367 8.2627 119.7352 60.8955 38.8604 177.9274 19 I 3.2905 8.5799 120.8140 65.0992 37.2810 177.1829 20 H 4.4434 8.8514 118.4854 60.2215 29.5679 176.0939 21 Y 4.1226 8.2569 118.3379 60.4437 37.4308 178.6920 22 K 2.8929 6.8078 119.6251 58.3257 32.2645 178.2748 23 L 4.2436 8.1537 119.3334 57.3930 40.7034 179.0499 24 S 4.1011 8.0712 114.4088 61.5341 62.3831 176.3048 25 Q 4.1838 7.7605 121.7209 59.2628 28.7505 178.4978 26 R 4.2130 8.1182 117.7332 59.8191 30.6284 176.5934 27 G 3.4110 7.0509 104.5645 45.0466 0.0000 173.0523 28 Y 4.1915 8.0669 122.8566 57.4122 38.4741 174.9679 29 E 4.2201 8.2735 128.3332 55.4945 27.1645 175.1223 30 W 3.7311 7.4956 130.5330 56.9016 31.8421 176.7316 31 D 4.4294 8.6651 129.0614 53.4687 39.4723 176.4267 32 A 3.3113 6.3868 125.3816 54.9381 19.1727 179.6015 33 G 3.7015 7.0490 106.4903 43.4903 0.0000 173.4413 34 D 4.0841 7.8524 120.4262 57.7061 41.9598 176.8656 35 D 4.5767 7.2180 119.2407 53.2908 39.7073 176.5397 36 V 4.0754 7.3622 127.5319 60.9190 31.3213 177.1481 37 E 4.5471 7.6540 112.5078 57.7226 30.5618 177.2723 38 E 3.5194 8.0055 112.1875 57.4128 27.5923 172.3831 39 N 4.6205 8.0480 122.8389 52.8112 38.7401 175.2615 40 R 4.5431 7.8658 129.0381 54.2194 29.2952 176.1047 41 T 3.6592 7.0731 106.9241 64.0756 69.3213 174.4021 42 E 4.4805 7.8538 121.7587 54.8487 30.8450 174.5729 43 A 3.9241 8.1069 124.0149 50.7889 18.3594 177.2514 44 P 4.2877 0.0000 0.0000 65.1067 31.8145 176.5187 45 E 3.8763 8.2102 118.1711 57.1681 30.1618 178.1746 46 G 4.2657 8.3874 115.9144 43.7193 0.0000 173.4282 47 T 3.8705 8.1189 110.8062 64.6254 68.4238 175.0496 48 E 3.8459 7.0328 120.4094 60.0099 29.9716 177.0637 49 S 4.7713 7.8905 109.8406 59.0749 64.1274 176.0886 50 E 3.9411 8.1121 122.8491 59.5050 29.5132 179.1868 *92 V 4.0794 7.6238 117.0496 61.6406 33.6345 177.8076 93 V 3.5499 7.7278 119.2654 66.0769 31.3407 177.1686 94 H 3.9829 7.7757 115.8462 59.1906 28.6503 177.4058 95 L 3.9106 8.0363 120.3637 58.4395 41.3733 180.1064 96 T 3.9042 7.4326 115.0507 66.5486 68.5712 176.3390 97 L 3.7414 8.3152 122.4803 58.1928 42.1861 178.6383 98 R 4.0344 8.1883 118.5486 59.9519 29.7884 177.9646 99 Q 3.8554 7.6999 117.0016 59.1834 29.3284 177.5406 100 A 4.2768 8.8556 122.0605 55.4954 18.5149 179.4319 101 G 3.8166 8.6508 103.5259 48.3783 0.0000 175.2093 102 D 5.1842 8.2078 121.5927 56.2597 40.9447 177.8538 103 D 4.3933 8.2949 118.7102 57.2816 41.5675 177.5141 104 F 4.2328 8.3834 120.7454 61.4314 39.4343 176.4651 105 S 4.3260 8.4632 112.1169 61.9051 61.9149 176.4183 106 R 3.9110 7.8224 119.6483 59.4230 29.8713 178.0518 107 R 4.1944 8.3341 117.2806 57.0356 30.4239 175.5742 108 Y 4.3770 7.6254 116.0146 56.2423 38.2910 175.3749 109 R 4.0102 8.6298 125.8877 58.1701 30.4980 176.5584 110 R 4.5566 7.3706 115.1482 55.0062 30.0682 172.6089 111 D 4.5458 8.5395 127.1123 53.8009 46.5285 177.2755 112 F 4.4583 8.6928 115.0547 58.5275 40.3144 177.7536 113 A 4.2617 8.0049 120.0391 55.1437 18.2792 178.8452 114 E 3.8780 8.3601 117.2501 59.8939 29.4848 178.5985 115 M 3.8234 8.0143 117.5525 58.1748 32.1993 177.5806 116 S 4.2921 7.9734 112.8747 61.6550 62.4206 175.6488 117 S 4.1837 7.3960 114.6103 60.8217 63.1020 174.9335 118 Q 4.3822 8.1676 122.2014 54.2570 27.4304 177.9940 119 L 4.5891 7.1120 118.5679 53.2099 43.3192 173.5883 120 H 3.9359 8.5271 119.4373 55.8325 29.2993 175.1223 121 L 4.4662 8.2388 125.6321 54.3317 41.5139 175.1008 122 T 4.5011 7.8083 118.1946 60.3827 70.4936 172.2222 123 P 4.7269 0.0000 0.0000 60.7892 29.8454 175.5431 124 F 4.7536 8.0734 120.2142 59.7652 42.3596 172.8041 125 T 3.2440 7.2026 113.3618 62.2158 67.4773 174.5196 126 A 4.1162 7.5747 123.9123 56.3968 18.5295 180.1197 127 R 3.2864 7.5229 116.7899 58.8439 29.5788 178.6422 128 G 3.5374 7.8078 105.2289 47.5614 0.0000 175.5425 129 R 3.8950 7.6816 118.6581 58.4182 30.2471 178.7852 130 F 4.5053 8.0125 119.8275 61.3648 39.4207 176.9330 131 A 3.1290 8.0381 120.3725 55.2677 17.9820 179.4805 132 T 3.6096 7.2639 111.1216 65.0047 67.3616 176.6344 133 V 3.1820 6.9975 119.5719 65.9208 31.6414 178.3759 134 V 3.3112 6.9538 117.7695 65.5516 30.9089 177.8284 135 E 3.9900 7.8017 118.2835 59.4615 29.3667 178.8452 136 E 3.9949 7.4851 117.5989 58.9466 29.4856 178.9664 137 L 3.7833 7.0805 117.9732 56.6984 43.0632 178.1956 138 F 4.7181 7.2780 115.1644 56.2176 38.1875 175.4263 139 R 3.9524 7.6098 124.2128 59.3873 30.2156 176.9292 140 D 4.5108 7.3495 117.8648 55.0865 41.5947 177.1120 141 G 4.2396 7.4914 108.6074 44.0334 0.0000 171.2417 142 V 4.2577 7.6401 118.3472 61.5569 33.5478 174.4703 143 N 3.1400 7.5128 118.7449 50.8139 42.7136 174.6968 144 W 4.7003 8.1275 123.7197 60.2733 28.9313 178.5647 145 G 4.0144 8.4361 104.1743 48.2991 0.0000 175.0925 146 R 3.8053 7.8818 119.9853 58.8488 30.1568 178.6912 147 I 4.1107 8.2711 119.8861 65.0384 37.2171 178.6593 148 V 3.6824 8.4321 118.5490 65.8626 31.1005 177.5423 149 A 3.3325 8.1091 121.5500 54.4999 18.1883 178.9213 150 F 4.3540 8.3901 117.6649 61.6625 39.0411 177.4234 151 F 3.5173 8.3729 117.0403 60.7060 38.8747 177.6007 152 E 4.7116 8.0108 118.9182 58.7272 29.1914 179.2319 153 F 4.5741 8.6590 121.1588 61.4696 39.5969 177.0881 154 G 3.4119 8.2029 105.8456 47.8243 0.0000 175.6861 155 G 3.4190 7.7391 107.4306 47.3998 0.0000 175.7188 156 V 3.5346 7.5639 120.9730 66.2127 31.3206 178.0977 157 M 4.2026 7.8322 118.3527 58.2206 31.5946 178.3185 158 C 3.8322 7.9198 114.5078 61.3552 29.8098 176.1649 159 V 3.5365 7.9080 121.7826 63.8640 31.0302 177.7149 160 E 3.8154 7.7069 119.6993 59.6390 29.3028 179.0803 161 S 4.0293 7.6505 114.8418 61.7206 62.6224 176.9134 162 V 3.3953 7.4782 119.7306 65.0754 31.1874 177.2042 163 N 4.3259 7.8490 116.8580 57.6951 38.8646 175.6892 164 R 4.0345 7.9251 118.7359 56.0990 31.4808 176.2214 165 E 5.0536 7.3098 115.7905 56.0236 31.7276 176.9478 166 M 4.8168 8.3064 119.7539 52.6500 34.2378 178.0670 167 S 3.6966 8.4498 116.8179 61.6539 63.1585 174.3528 168 P 4.2968 0.0000 0.0000 65.7016 30.9010 177.9530 169 L 3.8635 7.9194 119.2025 58.4112 41.7162 179.2270 170 V 3.1612 7.7487 112.3459 64.3103 31.2444 178.1283 171 D 4.4516 8.2712 117.9565 57.6346 41.3392 178.1090 172 N 3.9415 7.8090 116.2614 56.0210 38.3233 177.1867 173 I 2.6213 7.0396 121.2852 63.7338 37.3497 177.9054 174 A 3.9967 7.8590 121.5921 55.4962 18.1713 179.1626 175 L 3.8935 7.5992 118.5991 58.1493 42.1120 179.1062 176 W 4.4456 7.3892 118.0004 60.3391 29.0747 178.2539 177 M 4.5880 8.4507 118.9021 59.2423 31.3901 178.8598 178 T 4.1287 8.0500 112.6560 64.9813 67.4525 176.3166 179 E 4.0327 8.2887 120.4674 59.6723 29.6237 178.6219 180 Y 3.9413 8.5820 119.4251 60.6428 39.0033 177.3194 181 L 3.6087 8.0655 121.3140 58.5611 41.7358 178.6649 182 N 4.5295 8.2747 116.4304 56.3822 38.7979 176.6230 183 R 3.9793 7.9056 117.6140 58.0299 30.1080 176.7144 184 H 4.5418 7.7876 112.8993 55.6652 33.9685 175.5274 185 L 3.9209 8.1217 119.4432 57.4567 41.7455 178.3234 186 H 3.4315 7.4153 114.9622 59.7770 29.5327 177.2948 187 T 3.8800 7.7129 116.8167 66.3649 68.3217 176.6308 188 W 3.8966 7.3173 128.9472 59.9371 30.5287 177.9586 189 I 3.8407 8.5084 121.0908 64.0926 36.8958 177.8046 190 Q 3.8495 7.9128 120.4627 59.3944 28.7578 177.6191 191 D 4.2884 7.6831 117.7711 56.2283 41.9918 176.4100 192 N 4.6125 7.3832 117.1081 52.3358 38.9478 173.4931 193 G 4.1842 7.6926 111.4899 42.4673 0.0000 177.0668 194 G 3.8279 8.2960 109.1651 45.1562 0.0000 173.2846 195 W 4.2344 8.1540 118.7033 59.6910 29.5563 177.8989 196 D 4.5352 8.2359 116.8848 56.7947 40.6901 177.7041 197 A 4.1502 7.8370 121.8022 55.1874 18.3165 179.3512 198 F 3.3469 7.7909 117.8773 60.8376 38.8818 178.0656 199 V 3.2770 7.6644 118.1889 64.4514 30.8594 177.6741 200 E 3.7962 7.9703 119.3503 58.7273 29.5828 178.0989 201 L 4.2131 7.2572 117.5932 56.2899 41.8151 177.1195 202 Y 4.2828 7.4849 115.7517 56.9066 38.3558 175.4589 203 G 3.6089 7.2963 109.6864 45.3440 0.0000 172.3938 204 P 4.1313 0.0000 0.0000 61.6028 32.0536 175.3069 205 S 3.9666 8.6555 115.2047 59.3360 61.4799 172.7589 206 M 2.9700 9.2222 122.3210 56.8327 29.7758 176.8416 207 R 4.1972 8.0170 119.4226 56.2070 30.3020 176.2919 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 3 H 8.44 4.83 0.00 3.15 3.36 0.00 5.75 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 4 A 8.55 4.39 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 5 G 8.50 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.12 4.59 0.00 1.68 1.92 0.00 3.19 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 7 T 8.11 4.06 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 1.12 0.00 0.00 8 G 7.85 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 0.00 0.00 0.00 9 Y 6.46 4.36 0.00 3.35 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 10 D 8.62 4.74 0.00 2.71 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 11 N 9.48 4.62 0.00 3.25 3.48 0.00 0.00 6.11 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.02 4.29 0.00 2.00 2.04 0.00 3.26 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 13 E 8.11 3.99 0.00 2.12 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 0.00 2.42 2.41 0.00 14 I 8.19 3.69 1.85 0.00 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.22 0.91 0.00 0.00 15 V 8.03 4.04 2.31 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 1.11 0.00 0.00 1.31 0.00 0.00 16 M 8.28 4.46 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.93 0.00 17 K 8.41 4.07 0.00 1.99 1.89 0.00 1.47 0.00 0.00 1.11 0.00 0.00 2.46 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.45 1.41 7.81 18 Y 8.26 4.34 0.00 3.05 3.20 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 19 I 8.58 3.29 1.92 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 1.30 1.28 0.23 0.00 0.00 20 H 8.85 4.44 0.00 3.64 3.66 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.26 4.12 0.00 3.21 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 22 K 6.81 2.89 0.00 1.19 1.47 0.00 0.88 0.00 0.00 0.61 0.00 0.00 3.18 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.97 1.12 7.81 23 L 8.15 4.24 0.00 1.94 2.06 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.07 4.10 0.00 3.90 3.92 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 25 Q 7.76 4.18 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 26 R 8.12 4.21 0.00 1.83 1.97 0.00 3.43 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 G 7.05 3.41 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 0.00 28 Y 8.07 4.19 0.00 3.03 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 29 E 8.27 4.22 0.00 1.85 1.79 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 2.25 2.25 0.00 30 W 7.50 3.73 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.67 4.43 0.00 2.73 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 32 A 6.39 3.31 -0.82 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 33 G 7.05 3.70 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 0.00 0.00 0.00 34 D 7.85 4.08 0.00 2.57 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 35 D 7.22 4.58 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 36 V 7.36 4.08 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 0.84 0.00 0.00 0.88 0.00 0.00 37 E 7.65 4.55 0.00 1.93 1.95 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 2.19 2.23 0.00 38 E 8.01 3.52 0.00 2.13 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 2.18 2.25 0.00 39 N 8.05 4.62 0.00 2.66 2.75 0.00 0.00 7.14 7.64 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 40 R 7.87 4.54 0.00 1.78 1.85 0.00 3.44 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 41 T 7.07 3.66 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 42 E 7.85 4.48 0.00 1.94 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 2.20 2.25 0.00 43 A 8.11 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.29 0.00 2.17 2.17 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 45 E 8.21 3.88 0.00 1.97 1.99 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 0.00 2.32 2.28 0.00 46 G 8.39 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.12 3.87 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 1.22 0.00 0.00 48 E 7.03 3.85 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 49 S 7.89 4.77 0.00 4.29 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 50 E 8.11 3.94 0.00 2.14 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 2.43 2.48 0.00 *92 V 7.62 4.08 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 0.84 0.00 0.00 0.94 0.00 0.00 93 V 7.73 3.55 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 0.93 0.00 0.00 0.98 0.00 0.00 94 H 7.78 3.98 0.00 3.34 3.29 0.00 5.70 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0.00 1.74 1.56 1.09 1.18 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 0.00 120 H 8.53 3.94 0.00 3.19 3.29 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.24 4.47 0.00 1.61 1.63 0.94 0.88 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 0.00 122 T 7.81 4.50 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 1.29 0.00 0.00 123 P 0.00 4.73 0.00 2.29 2.14 0.00 3.92 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 124 F 8.07 4.75 0.00 2.99 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 0.00 125 T 7.20 3.24 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 0.72 0.00 0.00 126 A 7.57 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.52 3.29 0.00 0.67 1.26 0.00 2.24 0.00 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0.00 2.08 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 2.49 2.50 0.00 153 F 8.66 4.57 0.00 3.61 3.41 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 0.00 154 G 8.20 3.41 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 0.00 155 G 7.74 3.42 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 0.00 156 V 7.56 3.53 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 1.04 0.00 0.00 1.02 0.00 0.00 157 M 7.83 4.20 0.00 1.98 1.63 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 158 C 7.92 3.83 0.00 2.71 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 0.00 159 V 7.91 3.54 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 0.70 0.00 0.00 0.76 0.00 0.00 160 E 7.71 3.82 0.00 2.21 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 2.30 2.35 0.00 161 S 7.65 4.03 0.00 3.86 3.83 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 0.00 162 V 7.48 3.40 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 0.25 0.00 0.00 0.41 0.00 0.00 163 N 7.85 4.33 0.00 2.78 2.79 0.00 0.00 7.20 8.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 R 7.93 4.03 0.00 1.82 1.82 0.00 3.31 0.00 0.00 3.15 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 165 E 7.31 5.05 0.00 1.84 1.79 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 2.05 2.16 0.00 166 M 8.31 4.82 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 167 S 8.45 3.70 0.00 3.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.30 0.00 2.17 2.19 0.00 3.51 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 2.15 2.25 0.00 169 L 7.92 3.86 0.00 1.78 1.54 0.93 0.74 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 0.00 170 V 7.75 3.16 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 0.35 0.00 0.00 -0.05 0.00 0.00 171 D 8.27 4.45 0.00 2.97 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 N 7.81 3.94 0.00 2.53 2.05 0.00 0.00 7.30 7.14 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 0.00 173 I 7.04 2.62 1.61 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.63 0.00 0.00 174 A 7.86 4.00 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 0.00 175 L 7.60 3.89 0.00 1.77 1.40 0.99 1.26 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 0.00 176 W 7.39 4.45 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 177 M 8.45 4.59 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 178 T 8.05 4.13 4.63 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 1.42 0.00 0.00 179 E 8.29 4.03 0.00 2.51 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 2.47 2.66 0.00 180 Y 8.58 3.94 0.00 3.27 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 0.00 181 L 8.07 3.61 0.00 1.94 1.91 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 182 N 8.27 4.53 0.00 3.00 2.98 0.00 0.00 7.31 7.75 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 0.00 183 R 7.91 3.98 0.00 1.74 1.50 0.00 3.25 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.89 0.00 184 H 7.79 4.54 0.00 2.22 2.71 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.12 3.92 0.00 1.54 1.43 0.57 -0.10 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 0.00 186 H 7.42 3.43 0.00 3.31 3.50 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 0.00 187 T 7.71 3.88 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 1.17 0.00 0.00 188 W 7.32 3.90 0.00 3.15 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 0.00 189 I 8.51 3.84 1.68 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.42 0.00 0.00 190 Q 7.91 3.85 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 191 D 7.68 4.29 0.00 2.63 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 0.00 192 N 7.38 4.61 0.00 1.94 2.06 0.00 0.00 6.08 7.31 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 0.00 193 G 7.69 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 0.00 0.00 0.00 194 G 8.30 3.83 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 0.00 0.00 0.00 195 W 8.15 4.23 0.00 2.31 2.62 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 0.00 0.00 0.00 0.00 196 D 8.24 4.54 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.84 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 198 F 7.79 3.35 0.00 1.51 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 0.00 0.00 0.00 0.00 199 V 7.66 3.28 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 0.86 0.00 0.00 0.90 0.00 0.00 200 E 7.97 3.80 0.00 2.20 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 2.36 0.00 201 L 7.26 4.21 0.00 2.03 1.64 1.36 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 202 Y 7.48 4.28 0.00 1.96 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 0.00 203 G 7.30 3.61 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 0.00 0.00 0.00 204 P 0.00 4.13 0.00 2.03 2.04 0.00 3.68 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 2.02 2.10 0.00 205 S 8.66 3.97 0.00 3.81 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 0.00 206 M 9.22 2.97 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 207 R 8.02 4.20 0.00 2.00 1.89 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 1.53 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.