NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.2118 7.8827 114.2975 60.3841 39.5997 177.1171 4 E 3.7697 8.2008 122.5892 58.4629 29.5024 176.7622 5 K 4.0017 8.8052 120.5992 59.1159 32.7512 178.1176 6 L 3.9644 7.9037 118.8874 57.8969 41.4235 179.2344 7 K 3.8418 7.8995 116.4976 59.7420 32.1008 178.8834 8 A 4.0938 7.5438 118.8022 55.0549 18.3421 179.2898 9 A 4.0148 7.8638 118.5294 54.0338 18.8306 178.4555 10 L 3.9424 7.0718 116.9587 54.2820 42.4356 175.4177 11 P 4.4099 0.0000 0.0000 61.6502 32.5281 176.8672 12 E 3.8915 8.5810 119.2169 59.7891 29.4298 178.5481 13 Y 4.4567 7.5580 113.4988 57.9668 38.5570 175.5180 14 A 4.7984 8.1372 124.6301 51.5657 19.9077 178.3093 15 K 3.8316 7.9348 123.1645 61.4305 32.0978 177.7989 16 D 4.3710 8.1818 118.4363 57.7080 40.7553 178.9268 17 I 3.6818 7.7022 119.4774 64.0618 37.1174 178.1193 18 K 3.8324 7.8322 120.1905 59.5917 31.9779 178.6546 19 L 3.9792 8.5977 119.6859 58.1015 41.4940 179.4358 20 N 4.3065 8.7821 116.5884 56.0069 38.5180 177.3349 21 L 3.8628 8.4515 122.1578 58.1985 42.0909 179.0836 22 S 4.1109 8.3998 115.5512 61.7459 62.8730 176.7926 23 S 4.0633 8.2684 115.8645 61.4376 61.9623 176.0589 24 I 3.7401 7.7892 120.6111 63.9614 37.7270 177.6237 25 T 3.9099 7.6004 110.3416 64.1094 68.8885 176.1979 26 R 4.2512 7.5589 116.2069 55.9023 30.3472 176.8108 27 S 4.2782 7.1333 114.4978 58.6673 62.4633 173.6354 28 S 4.7734 8.4140 118.1371 57.8317 63.4977 176.1785 29 V 3.7986 7.6763 121.8628 63.8557 31.3056 176.1630 30 L 4.9063 6.9237 119.9143 52.4171 44.1843 176.2229 31 D 4.6271 9.7507 122.4188 54.6947 42.7113 177.9429 32 Q 4.1925 8.6135 120.5646 59.1384 28.9737 177.6341 33 E 4.2039 8.2553 120.1790 59.2253 29.9185 178.3858 34 Q 4.3278 8.2363 117.6504 59.0547 28.8105 178.3746 35 L 3.9011 8.1859 121.1387 58.2317 42.2301 179.1738 36 W 3.8516 8.2851 118.5188 59.4187 28.9951 178.8981 37 G 3.0059 8.7290 106.2054 47.4889 0.0000 175.9154 38 T 4.1009 7.9682 117.9974 66.2812 68.5528 177.0997 39 L 3.9182 7.9825 121.0716 57.0784 41.4038 179.3224 40 L 3.8719 7.7422 120.3779 57.9436 42.0721 178.6898 41 A 3.8588 7.5946 120.6867 55.0862 18.1193 179.7955 42 S 3.9586 8.0219 113.3801 61.7098 62.7445 176.5285 43 A 3.9370 7.8413 121.8309 55.2445 18.3644 179.2398 44 A 4.0318 8.2343 118.9930 55.3745 18.3203 179.8137 45 A 4.0239 8.0243 118.0930 55.0350 18.4606 179.2950 46 T 4.0137 7.7025 106.6905 62.2297 69.1746 175.6754 47 R 3.7653 7.5223 118.8434 56.7142 28.6559 175.1477 48 N 4.6124 7.8389 117.8766 52.1620 39.4749 173.7660 49 P 4.2069 0.0000 0.0000 65.8865 31.4900 178.2954 50 Q 3.9747 8.0963 117.7030 59.3088 28.9840 178.4573 51 V 3.5791 8.6941 119.6409 65.7862 31.5756 177.8433 52 L 3.9539 8.0368 120.0531 57.8818 41.9913 178.8054 53 A 3.9643 8.4134 121.1922 55.2352 18.4430 179.3808 54 D 4.2877 8.2534 117.4150 57.7612 41.1072 179.2031 55 I 4.0788 7.9759 120.4330 64.3357 36.8586 178.7598 56 G 3.6541 8.4346 105.9639 47.6716 0.0000 175.3753 57 A 4.1331 7.9875 122.9572 54.8768 18.3181 178.9257 58 E 3.9037 8.0142 114.7659 57.6957 30.0226 177.7012 59 A 4.1094 7.7588 119.7901 54.2807 18.7886 179.4220 60 T 3.8109 7.2710 108.0006 64.6675 68.9056 175.0071 61 D 4.6635 7.4956 118.3940 54.2498 40.8190 176.3596 62 H 4.7277 7.6106 115.0172 54.7132 30.9977 173.4179 63 L 4.8740 7.9170 118.6792 51.9040 44.8318 177.2988 64 S 4.4334 8.4272 116.8240 57.9494 65.3875 175.1163 65 A 3.9361 8.4102 121.9049 55.5127 18.2880 179.4414 66 A 4.0018 8.1252 118.5868 55.2575 18.2570 179.5328 67 A 4.1805 8.2921 119.2293 55.6077 18.4975 179.6573 68 R 3.6921 7.8254 116.8981 59.8911 29.9313 178.2356 69 H 4.1871 8.1941 117.4340 59.1447 29.9582 177.1563 70 A 4.3205 8.4837 122.5029 54.9881 18.1020 179.5151 71 A 3.7417 8.3028 119.6677 55.4344 18.5489 180.0117 72 L 4.0472 7.7016 117.6827 57.6846 41.6481 179.9610 73 G 3.7515 8.3254 105.6017 47.3142 0.0000 175.8199 74 A 4.0040 7.9729 122.4314 54.8425 18.4043 179.2122 75 A 4.0417 7.5991 118.1575 55.2180 18.5730 179.3597 76 A 4.1445 7.5772 117.3597 55.1555 18.7172 180.6680 77 I 4.1012 7.6874 116.0773 61.2064 38.5620 176.7171 *79 G 3.7823 7.9127 104.8412 45.2288 0.0000 173.8707 *81 N 4.9361 7.9923 118.0756 53.3040 39.0788 176.5314 82 N 4.4117 8.1508 114.6797 55.6705 38.4817 177.2569 83 V 3.8477 7.6548 119.3046 65.2016 31.9978 177.4845 84 F 3.8710 7.9729 119.7564 61.6355 39.2915 176.6116 85 Y 3.7879 8.0945 116.4445 60.6906 37.3917 178.3268 86 R 3.6087 7.2173 118.4746 59.1811 30.4604 178.5445 87 G 3.4593 7.6659 105.2436 47.8053 0.0000 175.5994 88 R 3.7493 7.5699 121.9891 58.8175 29.7355 178.7726 89 G 3.6197 7.8292 104.6636 47.3128 0.0000 175.1495 90 F 4.8695 7.9402 119.6272 59.3943 39.2038 176.0612 91 L 4.7694 7.8419 118.6847 55.3103 42.3355 176.6821 92 E 3.9258 8.9962 114.0931 57.4323 28.0894 176.7430 93 G 4.0536 8.3908 105.1833 45.9642 0.0000 176.4719 94 R 3.8923 8.0772 118.4033 58.5873 30.2089 177.0427 95 Y 4.5684 7.9118 113.7079 57.6292 38.5552 177.0525 96 D 4.4768 8.2593 122.3853 56.6590 40.9725 177.3790 97 D 4.8090 8.0148 116.5299 52.9599 39.9867 175.9881 98 L 4.5133 7.3790 120.5146 53.4833 42.9663 176.2668 99 R 4.1830 8.4359 123.0037 55.2764 30.4436 174.4881 100 P 4.2091 0.0000 0.0000 63.9363 31.4362 176.9473 101 G 3.9306 7.9604 104.1796 46.4221 0.0000 172.6918 102 L 4.5556 7.6589 118.5739 52.2743 43.6237 176.7468 103 R 4.2992 8.4218 123.3219 56.2674 30.9914 177.1011 104 M 4.8542 8.2422 120.6099 52.8370 31.5164 176.3949 105 N 4.2174 8.6384 120.0978 58.1203 38.7677 174.8612 106 I 3.6045 7.8419 118.7211 64.1973 37.9306 177.3504 107 I 3.7953 7.8083 119.8299 64.0014 37.0454 177.6136 108 A 4.3664 7.7400 119.2536 52.9392 19.0203 177.3203 109 N 4.9037 7.7671 114.8091 51.1714 39.4699 173.4530 110 P 3.8136 0.0000 0.0000 63.8102 32.1659 178.5978 111 G 3.9176 9.2384 107.3085 45.1648 0.0000 172.7399 112 I 4.4573 7.0602 110.1103 58.5844 39.4180 172.4576 113 P 4.3247 0.0000 0.0000 62.7071 31.9058 177.6911 114 K 3.9766 9.0071 121.2534 60.0763 31.8865 178.9637 115 A 3.7916 7.3878 116.7584 55.9146 18.2818 179.4071 116 N 3.5660 7.7438 113.1929 55.7026 38.5219 177.3811 117 F 4.0933 7.7332 121.4983 61.4673 39.4847 176.8619 118 E 3.8650 8.3946 118.2826 59.2833 29.1800 179.2143 119 L 3.9020 7.4844 120.4562 57.8923 42.0542 179.0661 120 W 4.4765 7.8395 118.9195 59.6236 28.8948 178.8963 121 S 3.9246 8.1951 115.7328 61.2226 62.3019 176.3689 122 F 4.0967 8.4824 123.4248 61.2983 39.1552 176.9086 123 A 3.8499 8.2714 120.3829 55.2812 18.1276 179.8334 124 V 3.5227 8.0231 117.0566 66.0194 31.4883 178.4286 125 S 4.2001 8.3245 113.9913 61.1196 62.3263 176.4926 126 A 3.8129 7.4641 124.2724 54.9283 17.8841 179.6326 127 I 3.6596 7.0998 116.8425 64.6678 37.3324 178.1953 128 N 4.5149 8.1945 115.3816 53.5225 39.3109 174.7959 129 G 3.5151 7.5391 106.2027 46.6996 0.0000 174.5699 130 C 4.5941 7.8744 119.7419 57.0593 32.7169 174.0067 131 S 4.1412 8.6970 123.8876 61.7658 62.5517 175.5817 132 H 4.0040 8.2148 121.4139 59.3142 29.5180 176.8768 133 C 4.1109 8.0497 117.8845 62.3939 28.0590 175.4360 134 L 4.1484 7.9568 123.3745 57.6501 41.6773 179.3231 135 V 3.6156 8.0633 117.8819 65.8185 31.4742 177.7050 136 A 3.9051 7.8910 120.4246 55.7574 18.2191 179.4959 137 H 4.4584 8.5143 114.8850 58.7762 28.7769 177.7790 138 E 3.6837 8.5788 121.6134 59.4204 29.4975 178.3540 139 H 4.2058 8.4138 118.3794 59.5038 29.8846 177.4765 140 T 3.8791 8.0451 117.7039 66.3496 68.1806 176.6288 141 L 3.8934 8.0420 121.0940 57.8984 41.6482 179.8486 142 R 3.8232 7.7635 117.5478 59.6098 29.8093 179.0288 143 T 3.8513 7.5255 114.0356 66.4965 68.4705 175.9379 144 V 4.2544 7.5106 111.9560 61.2288 32.4683 176.9412 145 G 3.8155 7.8653 105.4386 45.8345 0.0000 174.1553 146 V 3.8648 7.7176 119.7464 61.3970 32.4755 176.2860 147 D 4.5016 8.4268 125.8020 54.2142 43.1287 177.2654 148 R 3.9064 8.4253 123.5419 59.2680 30.2054 179.0167 149 E 3.9826 8.2833 116.7800 59.4458 29.3100 179.1641 150 A 3.9578 7.8767 121.0054 55.0043 18.6766 179.3639 151 I 3.4649 7.5298 118.0969 64.5486 37.1965 178.4059 152 F 4.3028 8.9393 121.7680 61.4105 39.1539 176.7404 153 E 3.8874 8.3349 118.7309 59.0396 29.3940 178.7222 154 A 4.0175 8.0825 120.9914 54.9653 18.5005 179.1555 155 L 3.8582 8.1280 118.8999 58.3658 42.0398 179.4607 156 K 3.7660 7.8831 117.9174 59.3725 31.9820 179.1913 157 A 3.8842 8.3399 121.2251 54.9879 18.2703 179.5016 158 A 4.0732 8.8013 120.6728 54.7466 18.4642 179.7836 159 A 3.8882 8.0325 119.2602 55.3061 18.3528 179.9576 160 I 3.6128 8.0183 118.7555 64.5003 37.0903 178.8616 161 V 3.5090 7.8648 119.1458 65.9387 31.3094 178.0491 162 S 4.1633 8.1008 113.1254 61.2884 62.2164 176.4234 163 G 3.6119 8.1798 108.5627 47.5549 0.0000 175.9822 164 V 3.5610 8.0373 120.6433 65.6808 31.5899 177.9373 165 A 3.9455 8.2828 120.9364 55.1644 18.2581 179.2266 166 Q 3.8450 8.0852 117.7359 59.3669 28.8689 178.2991 167 A 4.0707 8.0687 121.6164 55.5066 18.3678 179.6729 168 L 3.9777 8.3009 117.2841 57.5003 41.6875 179.4392 169 A 4.0038 8.5665 121.5909 55.4525 18.3954 179.8311 170 T 3.9169 8.0629 108.5671 64.7482 68.7117 176.9608 171 I 3.7515 7.5954 115.8438 63.6159 37.5163 177.5275 172 E 3.8932 8.1408 120.1947 59.2464 29.5098 178.6763 173 A 4.1734 7.8871 118.8039 54.2564 18.4184 178.5413 174 L 4.6168 7.4123 115.1804 54.4235 42.1045 176.8289 175 S 4.1750 7.8285 120.1554 58.7208 63.0729 173.7645 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 I 7.88 4.21 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.83 1.02 0.00 0.00 4 E 8.20 3.77 0.00 2.22 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 2.39 2.50 0.00 5 K 8.81 4.00 0.00 1.91 1.79 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.59 7.81 6 L 7.90 3.96 0.00 1.92 1.70 0.94 0.80 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 7 K 7.90 3.84 0.00 1.73 1.88 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 8 A 7.54 4.09 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 9 A 7.86 4.01 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 10 L 7.07 3.94 0.00 1.71 1.52 0.91 1.37 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 11 P 0.00 4.41 0.00 1.14 1.75 0.00 3.48 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.19 0.00 12 E 8.58 3.89 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 13 Y 7.56 4.46 0.00 3.00 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 14 A 8.14 4.80 1.17 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 0.00 0.00 15 K 7.93 3.83 0.00 1.91 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 16 D 8.18 4.37 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 17 I 7.70 3.68 2.00 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 1.52 0.69 0.89 0.00 0.00 18 K 7.83 3.83 0.00 1.82 1.97 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 19 L 8.60 3.98 0.00 1.84 1.70 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.78 4.31 0.00 2.87 2.83 0.00 0.00 6.70 6.75 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 21 L 8.45 3.86 0.00 1.74 1.80 0.83 0.80 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 S 8.40 4.11 0.00 4.03 3.90 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 23 S 8.27 4.06 0.00 3.87 4.02 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 24 I 7.79 3.74 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.86 0.00 0.00 25 T 7.60 3.91 4.21 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 0.00 0.00 1.10 0.00 0.00 26 R 7.56 4.25 0.00 1.96 2.11 0.00 3.08 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.68 0.00 27 S 7.13 4.28 0.00 3.95 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 28 S 8.41 4.77 0.00 4.03 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 29 V 7.68 3.80 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 0.77 0.00 0.00 1.01 0.00 0.00 30 L 6.92 4.91 0.00 1.85 1.65 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 D 9.75 4.63 0.00 2.89 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 32 Q 8.61 4.19 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 33 E 8.26 4.20 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.71 0.00 34 Q 8.24 4.33 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 35 L 8.19 3.90 0.00 1.85 1.70 0.30 0.87 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 36 W 8.29 3.85 0.00 3.65 3.35 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 37 G 8.73 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 0.00 0.00 0.00 38 T 7.97 4.10 4.51 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 1.27 0.00 0.00 39 L 7.98 3.92 0.00 1.53 1.45 0.68 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.74 3.87 0.00 1.83 1.59 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.59 3.86 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 42 S 8.02 3.96 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.84 3.94 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 44 A 8.23 4.03 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 45 A 8.02 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 46 T 7.70 4.01 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 47 R 7.52 3.77 0.00 2.00 2.07 0.00 3.31 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 48 N 7.84 4.61 0.00 2.75 2.68 0.00 0.00 7.21 6.99 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 49 P 0.00 4.21 0.00 2.19 2.08 0.00 3.66 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 2.11 2.14 0.00 50 Q 8.10 3.97 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 51 V 8.69 3.58 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 0.92 0.00 0.00 0.95 0.00 0.00 52 L 8.04 3.95 0.00 1.89 1.79 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.41 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 54 D 8.25 4.29 0.00 2.72 2.77 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 0.00 0.00 0.00 0.00 55 I 7.98 4.08 1.98 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 1.63 1.38 1.01 0.00 0.00 56 G 8.43 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 57 A 7.99 4.13 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 58 E 8.01 3.90 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.06 1.72 0.00 111 G 9.24 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 0.00 0.00 0.00 112 I 7.06 4.46 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 1.05 0.00 0.00 113 P 0.00 4.32 0.00 2.17 2.00 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 114 K 9.01 3.98 0.00 1.78 1.90 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 115 A 7.39 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 0.00 116 N 7.74 3.57 0.00 2.24 1.42 0.00 0.00 6.56 8.13 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 0.00 117 F 7.73 4.09 0.00 3.08 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 0.00 118 E 8.39 3.86 0.00 2.15 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 2.56 2.50 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0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.88 0.00 0.00 128 N 8.19 4.51 0.00 2.68 2.87 0.00 0.00 7.14 7.17 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 0.00 129 G 7.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.87 4.59 0.00 3.08 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 0.00 131 S 8.70 4.14 0.00 4.11 4.15 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 0.00 132 H 8.21 4.00 0.00 3.26 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.05 4.11 0.00 3.13 3.06 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 0.00 134 L 7.96 4.15 0.00 1.86 1.83 0.24 0.59 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 0.00 135 V 8.06 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 136 A 7.89 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.51 4.46 0.00 3.46 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.58 3.68 0.00 2.30 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 2.07 2.48 0.00 139 H 8.41 4.21 0.00 3.38 3.42 0.00 5.83 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 0.00 140 T 8.05 3.88 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 141 L 8.04 3.89 0.00 1.87 1.58 0.90 0.65 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 0.00 142 R 7.76 3.82 0.00 1.92 1.91 0.00 3.25 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 143 T 7.53 3.85 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 1.17 0.00 0.00 144 V 7.51 4.25 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 0.75 0.00 0.00 0.95 0.00 0.00 145 G 7.87 3.82 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 0.00 146 V 7.72 3.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.89 0.00 0.00 147 D 8.43 4.50 0.00 2.76 2.50 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 0.00 148 R 8.43 3.91 0.00 1.85 1.92 0.00 3.15 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 1.68 1.65 0.00 149 E 8.28 3.98 0.00 2.19 2.25 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 2.41 2.34 0.00 150 A 7.88 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 0.00 151 I 7.53 3.46 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.27 0.00 0.00 152 F 8.94 4.30 0.00 3.12 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 0.00 153 E 8.33 3.89 0.00 2.38 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 2.32 2.36 0.00 154 A 8.08 4.02 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 0.00 155 L 8.13 3.86 0.00 2.00 1.80 0.81 0.59 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 0.00 156 K 7.88 3.77 0.00 1.84 1.68 0.00 1.56 0.00 0.00 1.33 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.89 1.07 7.81 157 A 8.34 3.88 1.28 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 0.00 0.00 0.00 158 A 8.80 4.07 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 0.00 159 A 8.03 3.89 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 0.00 160 I 8.02 3.61 1.80 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 1.35 0.76 0.82 0.00 0.00 161 V 7.86 3.51 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 1.00 0.00 0.00 0.84 0.00 0.00 162 S 8.10 4.16 0.00 3.92 4.02 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 0.00 163 G 8.18 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 0.00 164 V 8.04 3.56 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 1.07 0.00 0.00 0.94 0.00 0.00 165 A 8.28 3.95 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 0.00 166 Q 8.09 3.84 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 167 A 8.07 4.07 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 0.00 168 L 8.30 3.98 0.00 1.93 1.72 0.90 1.01 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 0.00 169 A 8.57 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 0.00 170 T 8.06 3.92 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 0.00 171 I 7.60 3.75 1.88 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 1.50 0.98 1.00 0.00 0.00 172 E 8.14 3.89 0.00 2.13 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 0.00 2.33 2.50 0.00 173 A 7.89 4.17 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 0.00 174 L 7.41 4.62 0.00 1.75 1.71 0.95 0.81 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 0.00 175 S 7.83 4.17 0.00 3.87 3.77 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.