NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 G 3.6254 8.3544 109.7195 45.5736 0.0000 173.7716 24 Q 3.5917 8.7813 131.8019 55.6736 29.3282 171.4861 25 R 3.8996 8.6327 125.6469 59.5563 31.0676 178.4882 26 W 4.2037 8.0574 115.4364 59.5860 28.1598 177.9768 27 E 2.8499 6.8412 118.9511 58.6855 28.9057 179.0085 28 L 3.9527 7.8624 119.1189 57.3829 41.6472 179.3627 29 A 4.0444 8.2206 121.2318 55.0712 18.3037 179.4834 30 L 4.1811 8.2554 119.1232 57.9917 42.0212 179.3849 31 G 3.7106 8.1399 106.0115 47.9812 0.0000 175.9642 32 R 4.0401 8.0311 120.1976 58.7320 30.0610 178.9512 33 F 4.1009 8.4251 120.6399 60.9812 39.4651 176.9286 34 W 4.4195 8.9829 128.4576 60.8901 30.4640 177.7297 35 D 4.3563 8.5964 118.9774 57.3475 40.2146 178.1443 36 Y 3.9595 8.1179 120.2233 60.6347 38.7828 177.8536 37 L 3.9023 8.0041 121.3265 57.9977 41.8823 178.9140 38 R 3.5971 7.4699 118.0353 58.5983 30.1280 178.1607 39 W 4.1776 7.7681 128.2410 60.3816 30.7122 178.0316 40 V 2.8300 7.6294 118.1938 65.9580 30.6163 177.5160 41 Q 3.8441 7.7749 118.3902 59.4435 28.7749 178.5118 42 T 3.8176 7.6155 109.7964 62.2914 68.8728 174.1428 43 L 3.3168 7.6452 120.7843 55.0902 40.0856 175.2874 44 S 4.3405 7.3055 113.0716 57.8154 65.3673 173.2064 45 E 3.8987 8.5609 120.0355 59.8550 29.0808 179.3578 46 Q 4.0526 8.0188 118.9817 58.8413 29.1555 178.1036 47 V 2.9527 7.2764 119.4342 65.7350 31.3474 177.9340 48 Q 3.9342 7.9879 117.7667 58.9644 28.6728 178.6329 49 E 3.9675 8.1034 119.4538 59.7429 29.4521 179.4628 50 E 4.3782 8.1460 119.0908 58.3261 29.2251 179.2905 51 L 4.1067 7.7976 118.9752 57.3359 41.8886 178.5799 52 L 4.2932 7.7768 116.9186 55.3083 42.3079 176.8019 53 S 4.7166 7.3829 113.7821 56.6437 65.3129 174.6274 54 S 4.4401 8.3619 113.4067 59.0371 62.9294 175.3121 55 Q 3.9993 7.5993 123.9974 59.7733 28.7144 178.8218 56 V 4.4260 7.8883 120.2335 65.9918 31.7724 178.1180 57 T 4.1808 7.9112 108.4881 63.9805 68.4223 176.0461 58 Q 3.8764 8.1189 123.2967 59.5217 29.2505 177.7864 59 E 3.9056 8.5474 119.9759 59.0102 29.3400 179.3708 60 L 3.6629 8.2608 119.5543 57.6000 41.6079 179.3160 61 R 3.9244 8.0021 118.4111 59.4774 29.9968 178.3058 62 A 4.0040 7.7009 120.3655 55.3034 18.3930 179.6314 63 L 4.0267 7.9244 117.4606 57.9786 41.6823 179.4971 64 M 3.8189 8.6387 118.5339 58.8751 32.3391 178.0183 65 D 4.3895 8.4544 119.4037 57.3671 40.9371 178.5389 66 E 3.9874 8.4196 119.9021 59.5152 29.6587 179.0571 67 T 4.0055 7.8806 115.8779 67.0035 68.4972 176.7270 68 M 4.1009 8.2271 120.6015 57.9001 31.9131 178.8992 69 K 3.9268 7.9943 118.7199 59.7806 32.3226 179.2614 70 E 4.0988 8.3092 118.6245 59.0867 29.3269 179.2969 71 L 3.7758 8.0444 120.5752 57.9774 42.1889 178.9291 72 K 3.8135 8.3745 118.6479 59.7140 32.0448 179.1649 73 A 4.0463 8.0554 120.7604 55.1452 18.2092 179.0403 74 Y 4.2011 8.1927 118.2742 60.8261 38.9021 178.2878 75 K 3.7042 8.1579 120.6090 59.3031 32.0469 178.6376 76 S 4.0606 7.7393 112.5513 61.5466 62.5657 175.8040 77 E 4.0842 8.2897 121.2146 59.2923 29.2128 179.0658 78 L 3.8681 7.8594 120.4479 57.9142 41.8875 178.1752 79 E 4.1967 7.8889 115.8294 57.4559 29.4876 177.6834 80 E 4.3626 7.7944 118.2423 56.7084 30.0990 176.1297 81 Q 4.3086 7.7584 118.1001 56.0822 31.3125 176.0845 *92 R 4.3695 7.7421 117.1528 56.3905 32.0814 177.1530 93 L 4.9471 7.7341 118.3753 57.3389 41.5995 179.4511 94 S 3.9979 8.1095 112.7285 61.2662 62.4695 175.9528 95 K 3.8893 7.9905 121.8346 59.6246 31.9941 178.4636 96 E 4.0226 8.3691 118.7904 58.8257 29.2919 179.1334 97 L 3.7702 7.7323 120.7857 58.1444 42.1086 178.9329 98 Q 3.8854 8.2370 118.0944 58.8669 28.5707 178.7336 99 A 3.9398 7.8593 121.2007 54.9766 18.1231 179.5676 100 A 3.8925 7.9517 119.4257 55.2471 18.3950 179.6714 101 Q 3.7764 8.0623 118.0138 58.9661 29.0644 178.0461 102 A 3.9577 8.0464 122.0783 55.1167 18.3903 179.7819 103 R 3.8347 8.1248 116.6276 59.1601 30.1533 178.8060 104 L 3.9823 7.6063 119.9215 58.2709 42.1368 179.2466 105 G 3.5698 7.9694 105.1707 47.9109 0.0000 175.4680 106 A 4.0674 8.1973 123.3343 54.7690 17.9332 179.4749 107 D 4.3639 8.5591 118.0009 57.8243 40.9160 178.8451 108 M 4.2521 7.9964 119.1156 58.6329 31.9617 178.7527 109 E 4.1136 8.2453 118.3592 59.2255 29.5785 179.1018 110 D 4.5241 8.2133 119.3669 56.9735 40.8087 178.9062 111 V 3.5821 8.0019 118.9269 66.2370 31.6169 177.7939 112 C 4.2477 8.3378 116.6010 62.7520 27.9719 176.1917 113 G 3.7195 8.5410 107.6276 48.1416 0.0000 175.6543 114 R 3.9770 8.0299 121.5660 58.9307 30.0077 178.5467 115 L 4.1134 7.8752 118.4317 57.3794 41.5942 179.5483 116 V 3.7667 7.7765 118.6752 65.8716 31.4892 177.8695 117 Q 4.0087 8.1829 119.4881 59.2461 28.8316 177.6242 118 Y 4.0434 7.9582 120.3619 60.4753 38.7477 177.8475 119 R 3.8254 7.8312 118.4104 59.4559 30.1977 178.7421 120 G 3.5689 7.8663 104.9425 47.9178 0.0000 175.5060 121 E 3.9987 7.9159 120.0251 58.9014 29.7087 179.4357 122 V 3.5100 7.7567 118.8286 65.9858 31.5905 177.9829 123 Q 3.9268 8.1900 117.9442 59.0852 28.3366 178.9139 124 A 4.0423 8.1526 120.9082 55.1959 18.6222 178.9199 125 M 4.1142 7.9772 115.8217 55.4461 32.4125 176.2051 126 L 3.6708 8.9043 118.8194 55.8614 40.0209 174.9833 127 G 4.0334 8.3390 105.9025 45.7773 0.0000 174.2625 128 Q 4.1482 7.5302 117.8612 55.3467 29.3000 176.1585 129 S 4.1663 8.4463 114.1645 59.1659 62.8885 174.3919 130 T 4.4661 8.3285 116.0243 61.4297 69.0345 175.7701 131 E 3.9107 7.9283 123.5506 59.9897 29.6473 178.7108 132 E 3.9488 8.1271 117.6703 59.4487 29.6052 178.9726 133 L 4.0627 8.0360 118.4511 58.1770 41.6804 179.8056 134 R 3.9108 8.3060 117.8100 59.2420 30.0932 179.2781 135 V 3.5801 7.7890 118.0284 66.0895 31.4882 178.3171 136 R 4.0290 7.9587 117.3549 58.7025 29.8941 178.7507 137 L 3.9170 8.0891 120.3052 57.9828 42.1244 178.7961 138 A 3.8867 8.0252 120.7792 55.1343 18.0418 179.4825 139 S 3.9922 7.9275 111.3779 61.8621 62.4148 175.9436 140 H 4.2634 8.1975 120.8862 59.2088 29.6243 176.8737 141 L 3.8653 8.3642 122.6445 58.0821 41.8121 178.9010 142 R 3.9581 7.9256 118.5578 59.4535 30.0495 178.7363 143 K 4.0531 7.8482 118.0341 59.4497 32.0525 179.3806 144 L 4.0920 8.2607 119.5155 57.9362 41.5396 179.8315 145 R 4.2201 8.6066 118.4776 59.2473 29.9892 179.2782 146 K 4.1940 8.3640 118.5348 59.3252 31.9236 179.4664 147 R 3.9082 8.2440 119.1602 59.2385 29.9844 178.0782 148 L 4.2796 8.1526 121.5972 57.6401 42.0064 178.8233 149 L 3.5523 8.1132 120.0705 58.0330 42.0598 178.9387 150 R 3.8761 8.0241 118.6846 59.4195 29.9396 178.2481 151 D 4.3892 8.5962 119.0674 56.9639 40.7938 178.5945 152 A 4.0614 8.2604 121.7632 55.1749 18.4636 179.0888 153 D 4.2600 8.3188 116.5377 57.3775 41.1367 178.4847 154 A 3.9663 7.8923 121.1527 55.0834 18.3558 179.3084 155 L 3.8256 8.3206 119.3240 58.3026 41.8591 179.0857 156 Q 4.2675 8.1399 117.1361 59.0745 28.9820 178.9258 157 K 4.1545 8.0312 119.1130 59.5326 30.5651 178.6739 158 C 3.9681 8.2442 119.1895 62.8732 31.1187 175.4921 159 L 4.2185 8.2090 120.2256 58.4424 40.9448 179.1014 160 A 4.2348 8.3346 120.8742 54.3902 18.2506 179.3224 161 V 3.6626 7.2413 114.7890 64.6809 32.0957 176.1074 162 Y 4.7073 7.3482 115.9612 58.0246 40.0657 174.6573 163 Q 4.2645 10.7000 121.9897 55.9318 28.9605 175.3263 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 23 G 8.35 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 24 Q 8.78 3.59 0.00 2.20 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.76 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 25 R 8.63 3.90 0.00 1.93 2.02 0.00 3.22 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 26 W 8.06 4.20 0.00 3.58 3.30 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 27 E 6.84 2.85 0.00 1.58 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 1.47 1.47 0.00 28 L 7.86 3.95 0.00 1.74 1.66 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.22 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.18 0.00 1.91 1.71 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.03 4.04 0.00 2.14 2.06 0.00 3.17 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 33 F 8.43 4.10 0.00 3.18 3.39 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 34 W 8.98 4.42 0.00 3.68 3.34 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 35 D 8.60 4.36 0.00 2.80 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 36 Y 8.12 3.96 0.00 3.09 2.90 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 0.00 0.00 0.00 0.00 37 L 8.00 3.90 0.00 1.59 1.50 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.47 3.60 0.00 1.44 1.95 0.00 3.24 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 39 W 7.77 4.18 0.00 3.17 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 40 V 7.63 2.83 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 0.78 0.00 0.00 0.90 0.00 0.00 41 Q 7.77 3.84 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 42 T 7.62 3.82 4.12 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 1.18 0.00 0.00 43 L 7.65 3.32 0.00 1.57 1.58 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.31 4.34 0.00 3.99 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 45 E 8.56 3.90 0.00 1.99 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 2.38 2.31 0.00 46 Q 8.02 4.05 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 47 V 7.28 2.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -1.03 0.00 0.00 48 Q 7.99 3.93 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 49 E 8.10 3.97 0.00 2.20 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 2.48 2.53 0.00 50 E 8.15 4.38 0.00 2.13 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 2.61 2.46 0.00 51 L 7.80 4.11 0.00 1.82 1.86 0.59 0.82 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 52 L 7.78 4.29 0.00 1.61 1.73 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.38 4.72 0.00 4.15 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 54 S 8.36 4.44 0.00 4.22 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.60 4.00 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 56 V 7.89 4.43 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 0.89 0.00 0.00 1.05 0.00 0.00 57 T 7.91 4.18 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 58 Q 8.12 3.88 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 59 E 8.55 3.91 0.00 1.65 1.74 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 2.34 2.80 0.00 60 L 8.26 3.66 0.00 1.66 1.75 0.91 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.00 3.92 0.00 2.11 2.11 0.00 3.17 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 1.65 1.88 0.00 62 A 7.70 4.00 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 63 L 7.92 4.03 0.00 2.05 1.98 0.67 0.87 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 64 M 8.64 3.82 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 65 D 8.45 4.39 0.00 2.87 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 66 E 8.42 3.99 0.00 2.17 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 2.35 2.38 0.00 67 T 7.88 4.01 4.39 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 1.36 0.00 0.00 68 M 8.23 4.10 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.87 0.00 69 K 7.99 3.93 0.00 2.11 1.89 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.77 7.81 70 E 8.31 4.10 0.00 2.15 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 2.57 2.53 0.00 71 L 8.04 3.78 0.00 1.91 1.78 -0.09 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.37 3.81 0.00 2.10 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.46 7.81 73 A 8.06 4.05 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 74 Y 8.19 4.20 0.00 3.23 3.09 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 0.00 0.00 0.00 0.00 75 K 8.16 3.70 0.00 1.72 1.69 0.00 1.46 0.00 0.00 1.45 0.00 0.00 3.23 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.49 1.22 7.81 76 S 7.74 4.06 0.00 3.91 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 77 E 8.29 4.08 0.00 2.18 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 2.35 2.54 0.00 78 L 7.86 3.87 0.00 1.65 1.58 0.31 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.89 4.20 0.00 2.25 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 2.38 2.47 0.00 80 E 7.79 4.36 0.00 2.14 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 2.27 2.43 0.00 81 Q 7.76 4.31 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 *92 R 7.74 4.37 0.00 1.92 1.94 0.00 3.24 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.67 0.00 93 L 7.73 4.95 0.00 1.94 2.00 0.99 1.13 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 94 S 8.11 4.00 0.00 4.00 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 95 K 7.99 3.89 0.00 1.90 1.96 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.57 7.81 96 E 8.37 4.02 0.00 2.16 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 2.32 2.38 0.00 97 L 7.73 3.77 0.00 1.48 1.53 0.66 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.24 3.89 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 99 A 7.86 3.94 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 0.00 100 A 7.95 3.89 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 0.00 101 Q 8.06 3.78 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 102 A 8.05 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 0.00 103 R 8.12 3.83 0.00 2.04 2.14 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 104 L 7.61 3.98 0.00 1.70 1.69 0.96 0.94 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 0.00 105 G 7.97 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 0.00 106 A 8.20 4.07 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 0.00 107 D 8.56 4.36 0.00 2.86 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 0.00 108 M 8.00 4.25 0.00 1.90 2.11 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.38 0.00 109 E 8.25 4.11 0.00 2.03 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 2.35 2.51 0.00 110 D 8.21 4.52 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 0.00 111 V 8.00 3.58 2.42 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 1.07 0.00 0.00 1.05 0.00 0.00 112 C 8.34 4.25 0.00 3.21 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 0.00 113 G 8.54 3.72 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 0.00 0.00 0.00 114 R 8.03 3.98 0.00 1.90 2.06 0.00 3.19 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 115 L 7.88 4.11 0.00 1.93 1.72 0.91 0.96 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 0.00 116 V 7.78 3.77 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 1.02 0.00 0.00 1.02 0.00 0.00 117 Q 8.18 4.01 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 118 Y 7.96 4.04 0.00 3.07 3.15 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 0.00 0.00 0.00 119 R 7.83 3.83 0.00 2.03 2.03 0.00 3.17 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 120 G 7.87 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 0.00 121 E 7.92 4.00 0.00 1.99 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 2.32 2.62 0.00 122 V 7.76 3.51 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 0.90 0.00 0.00 0.15 0.00 0.00 123 Q 8.19 3.93 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 124 A 8.15 4.04 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 0.00 125 M 7.98 4.11 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.89 0.00 126 L 8.90 3.67 0.00 1.73 1.67 0.91 1.04 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 0.00 127 G 8.34 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 0.00 128 Q 7.53 4.15 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 129 S 8.45 4.17 0.00 3.82 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 0.00 130 T 8.33 4.47 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 1.20 0.00 0.00 131 E 7.93 3.91 0.00 2.09 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 2.31 2.37 0.00 132 E 8.13 3.95 0.00 2.10 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 2.40 2.47 0.00 133 L 8.04 4.06 0.00 1.98 1.91 0.78 0.97 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 0.00 134 R 8.31 3.91 0.00 2.21 1.95 0.00 3.41 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 135 V 7.79 3.58 2.22 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 1.03 0.00 0.00 0.98 0.00 0.00 136 R 7.96 4.03 0.00 1.94 1.98 0.00 3.19 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 137 L 8.09 3.92 0.00 1.80 1.66 0.83 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.03 3.89 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 0.00 139 S 7.93 3.99 0.00 4.11 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 0.00 140 H 8.20 4.26 0.00 3.40 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.36 3.87 0.00 1.94 1.71 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.93 3.96 0.00 2.20 1.92 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 143 K 7.85 4.05 0.00 2.06 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 144 L 8.26 4.09 0.00 1.85 1.77 0.81 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.61 4.22 0.00 2.01 2.00 0.00 2.95 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 146 K 8.36 4.19 0.00 2.02 1.93 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.54 7.81 147 R 8.24 3.91 0.00 1.95 2.16 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 148 L 8.15 4.28 0.00 2.02 2.20 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.11 3.55 0.00 1.83 1.76 0.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.02 3.88 0.00 1.95 2.12 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 D 8.60 4.39 0.00 2.94 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 0.00 152 A 8.26 4.06 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 0.00 153 D 8.32 4.26 0.00 2.74 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 0.00 154 A 7.89 3.97 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 0.00 155 L 8.32 3.83 0.00 1.67 1.84 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.14 4.27 0.00 2.47 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 157 K 8.03 4.15 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.66 7.81 158 C 8.24 3.97 0.00 3.08 2.85 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 0.00 159 L 8.21 4.22 0.00 2.05 1.95 0.79 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.33 4.23 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 0.00 161 V 7.24 3.66 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 0.88 0.00 0.00 0.96 0.00 0.00 162 Y 7.35 4.71 0.00 2.91 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 0.00 163 Q 10.70 4.26 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.32 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.