NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2144 8.1744 110.9413 60.8109 70.7519 173.2697 4 S 3.9971 8.0431 117.7764 58.5033 62.1382 171.4757 5 K 4.4965 8.6987 128.1733 56.5085 33.1166 177.8287 6 K 3.9034 7.6302 122.4097 59.5550 32.3581 177.9365 7 E 4.7831 7.9164 119.0253 56.6930 29.8610 178.3769 *9 I 4.1660 7.9620 119.0322 61.0931 39.4367 178.2886 10 L 3.8720 7.5884 119.6651 57.8013 41.3676 179.7688 11 R 3.8971 8.0240 117.9441 59.6131 29.9788 179.2409 12 T 3.9018 7.9294 114.7126 66.5061 68.4869 176.3444 13 A 3.9355 8.4876 122.8797 55.2919 18.5637 179.6418 14 I 3.6334 8.3945 118.7612 64.7008 37.3056 178.2113 15 D 4.3524 8.6568 119.2186 57.2557 40.9791 177.7163 16 Y 4.0939 8.2546 120.4910 60.7917 38.7660 178.0248 17 I 4.1086 8.2965 114.1990 63.8636 37.2447 178.1969 18 G 3.5514 7.7191 106.5264 47.7079 0.0000 174.7028 19 E 3.7813 7.6718 121.2836 57.5785 29.6858 176.4071 20 Y 4.2697 8.3180 112.1824 56.5023 39.9566 177.2626 21 S 4.8891 7.8585 117.7003 58.6013 66.0907 178.8487 22 L 3.9055 7.9421 119.6405 57.8191 41.4350 179.5592 23 E 3.9858 8.2873 115.2182 58.9504 29.3792 177.5789 24 T 4.3524 7.2602 113.6306 63.2280 69.4794 174.2520 25 L 3.9263 7.8683 125.1979 54.2934 42.4851 176.3011 26 S 4.5231 7.9522 119.7764 56.0890 67.4682 174.7196 27 Y 3.9786 8.4564 118.7147 61.2631 37.4917 178.3066 28 D 4.7285 8.2777 119.4935 57.7460 41.0658 179.2146 29 S 4.0359 7.6629 113.0891 61.1502 62.9089 176.1554 30 L 3.7380 8.0364 124.1205 57.4432 41.8683 178.5533 31 A 3.9804 8.9051 122.1372 55.2358 18.1538 178.9095 32 E 3.8584 8.1857 116.2972 59.7545 29.7309 178.7819 33 A 4.2422 7.8167 119.1545 54.6031 18.6400 178.9089 34 T 4.2071 8.3113 107.2561 62.0915 69.4537 176.3215 35 G 4.0104 8.0067 109.2354 45.7091 0.0000 173.7724 36 L 4.2888 7.3608 118.8415 54.3478 42.5909 176.7722 37 S 4.6940 8.1329 114.9030 57.0194 65.9952 175.0071 38 K 3.9942 8.3962 122.5219 59.8358 31.7036 178.8484 39 S 4.1885 8.0935 114.0709 61.5075 63.0649 176.1768 40 G 3.9450 8.3589 108.5409 48.1636 0.0000 175.3426 41 L 4.2865 8.1319 121.8036 57.5980 41.6379 179.9902 42 I 4.3730 7.8860 119.2778 63.5594 36.9538 177.6263 43 Y 4.1340 7.8457 120.2888 60.9448 38.7556 177.1125 44 H 4.3168 7.9769 114.8490 56.4411 29.9111 175.3758 45 F 4.8517 8.1591 119.1315 54.9662 39.9459 173.1783 46 P 4.5900 0.0000 0.0000 63.8574 31.7890 177.0778 47 S 4.8844 7.7253 113.6829 56.1154 67.4668 174.4999 48 R 3.8357 8.6808 121.1462 59.5510 29.8249 177.7089 49 H 4.2743 8.3990 117.7161 59.1268 29.7565 176.9960 50 A 4.0684 7.9431 122.3223 54.9332 18.1048 179.0822 51 L 3.0394 7.4483 117.6147 58.2324 42.0878 179.0577 52 L 3.8525 7.7246 117.4023 57.4101 41.8353 178.6249 53 L 4.3217 7.8579 120.4272 58.2849 41.9010 180.7313 54 G 3.8343 8.1455 103.4224 45.6433 0.0000 174.8952 *56 H 4.6696 8.1356 117.7768 55.5887 31.0511 175.3655 57 E 3.6851 8.6226 118.8662 59.6323 29.3487 179.4849 58 L 3.9206 7.9497 119.9566 58.0793 41.9854 178.9822 59 L 4.0594 7.5631 118.1535 57.3380 41.7542 178.7996 60 A 3.5465 7.6051 120.9974 55.1941 18.1394 179.3866 61 D 4.2743 7.8916 117.1915 57.6787 40.8843 178.7293 62 D 4.3873 8.2084 119.3320 57.0527 40.7915 178.5935 63 W 4.3347 7.9770 128.4573 59.8337 30.7920 177.7874 64 D 4.1630 8.4706 118.4929 57.2507 40.7620 178.0883 65 K 3.9039 8.1475 120.1033 59.5572 31.8808 178.2369 66 E 3.9038 8.2627 119.5121 59.2615 29.4257 178.8870 67 L 3.5810 7.8380 119.2703 57.4375 41.2865 179.6176 68 R 4.2788 7.8378 115.3289 59.3329 29.6393 177.9932 69 D 4.4403 8.1303 117.9728 56.5275 41.2493 177.2027 70 I 4.2612 7.0400 116.6179 60.5711 38.8355 175.8335 71 T 3.9860 7.1749 116.5125 64.2981 68.8152 174.2135 72 R 4.0308 9.2000 126.5076 58.6389 30.4086 176.7119 73 D 4.6963 7.8092 117.9633 51.8026 43.2089 173.8285 74 P 4.5537 0.0000 0.0000 64.0975 31.4691 176.8071 75 E 4.2491 7.8649 117.3919 57.0610 30.8814 176.1386 76 D 4.5490 7.9542 119.1746 52.5664 41.5713 174.3919 77 P 4.2404 0.0000 0.0000 66.5420 31.0141 178.1895 78 L 4.0757 8.0365 118.3628 57.0953 41.5803 179.0142 79 E 4.0232 8.4222 119.2316 59.1167 29.5589 178.7353 80 R 4.3617 8.1488 115.8818 58.7196 29.7579 178.5139 81 L 4.0221 8.1694 121.3870 58.0529 42.0741 178.8197 82 R 3.8684 8.3000 118.5059 59.2778 29.8783 178.3211 83 A 4.0654 7.6642 119.9353 54.5612 18.5926 179.4288 84 V 3.5812 8.0204 117.0581 66.4441 31.3310 178.4187 85 V 3.6040 7.7948 116.3844 66.0890 31.5181 177.8618 86 V 3.7398 7.8763 118.2501 66.1150 31.3949 178.1605 87 T 3.8185 8.3455 110.0627 64.5654 68.4749 176.6776 88 L 3.8086 7.9035 120.8061 56.8430 41.6896 178.2719 89 A 4.5482 7.3502 118.0947 52.4663 19.3065 176.8935 90 E 4.6234 7.7573 112.7948 56.7426 35.5485 175.7294 91 N 4.8117 8.4480 113.7681 52.5950 39.0118 174.6948 92 V 5.2721 7.4934 110.5854 58.6089 35.7804 175.1212 93 S 4.9216 8.3982 119.4698 56.8502 64.8029 174.6008 94 R 2.9477 8.7823 116.2977 59.3474 29.6948 177.3288 95 P 4.2073 0.0000 0.0000 65.6692 31.2006 178.4686 96 E 4.1208 8.0973 116.7508 59.3568 29.5612 178.6902 97 L 3.9887 7.7908 120.2434 58.4960 42.0498 179.1812 98 L 3.9991 7.9590 118.6145 57.5497 41.3906 179.5749 99 L 4.0059 8.1861 119.2234 57.5355 41.4238 179.0104 100 L 3.6000 8.2956 118.4136 58.1709 41.7007 179.5215 101 I 3.8371 7.5107 117.7697 64.4347 37.2166 177.7440 102 D 4.5106 8.2867 118.6968 56.7579 40.9725 177.8340 103 A 4.2546 8.4206 122.0262 55.1445 18.1908 177.7152 104 P 4.2766 0.0000 0.0000 65.3244 31.4812 177.9048 105 S 4.4481 8.2688 111.4564 58.8102 63.7305 173.5012 106 H 4.4790 8.2656 121.7472 53.2620 33.2943 172.1035 107 P 4.2071 0.0000 0.0000 66.5247 30.6979 178.0815 108 D 4.4249 8.3595 118.0824 57.3439 40.4016 179.0197 109 F 4.6263 7.9529 117.1178 60.2286 39.3618 177.4692 110 L 4.2580 8.1918 118.1115 58.3023 41.4133 178.8800 111 N 4.2987 8.7009 115.9805 56.8335 38.4152 177.3193 112 A 3.9946 7.8088 120.4932 54.0208 18.2265 178.6218 113 W 4.6222 8.2890 116.6773 56.4911 29.5272 178.3156 114 R 3.8001 8.1969 118.9124 59.8106 28.9585 178.6067 115 T 3.8678 7.9757 116.8715 66.3247 68.4893 175.5493 116 V 4.2422 7.2688 116.9854 61.8269 31.4542 176.0373 117 N 4.9568 8.0704 115.2694 53.4835 39.9814 174.4915 118 H 5.0246 8.1514 112.2617 55.0140 31.1322 173.7418 119 Q 4.4726 8.2337 115.7075 55.1757 30.0690 176.0837 120 W 4.8266 8.0270 115.3352 56.6791 31.8085 175.5581 121 I 4.2837 7.7825 119.2085 59.0921 37.5197 173.8911 122 P 4.4806 0.0000 0.0000 62.5279 31.8380 175.5939 123 D 4.5703 8.4842 120.5719 53.4443 40.3158 177.3641 124 T 3.9195 8.1692 118.9016 60.7725 65.5365 171.4436 125 D 4.6059 7.4892 120.8954 52.6076 43.4899 174.8554 126 D 4.5360 8.7393 124.4015 54.9881 39.4736 175.4233 127 L 4.1507 7.8007 118.7413 57.4847 41.0583 178.4955 128 E 4.0441 8.3668 118.8491 59.1200 29.3115 177.4420 129 N 4.7568 8.0467 111.6742 52.6920 39.9265 174.5125 130 D 4.6866 7.5090 119.4382 52.5461 42.0981 176.3229 131 A 4.0946 8.4569 130.2240 54.9506 18.4295 178.3772 132 H 4.1535 8.7712 117.4537 59.1278 30.1048 176.8812 133 K 3.8621 8.4254 121.2549 59.9063 31.8595 178.4954 134 R 4.0194 8.1414 115.7258 59.2599 28.9353 178.5604 135 A 4.0233 7.9703 120.6709 54.3663 18.0837 179.2987 136 V 3.5596 7.7555 116.6812 65.2713 31.7063 177.4021 137 Y 3.7505 7.9923 119.5971 59.9512 38.6196 176.8565 138 L 3.9663 8.1970 121.6626 58.2031 42.1125 179.1790 139 V 3.5362 7.2835 117.6547 66.1105 31.5013 177.7518 140 Q 3.8829 7.4850 119.0674 59.1384 28.7910 178.2789 141 L 3.9349 8.1826 120.2012 57.6675 41.6338 179.4048 142 A 3.9936 8.1657 120.6636 54.9923 18.2705 179.3818 143 A 3.9803 8.4808 119.7482 55.5833 18.2896 179.5654 144 D 4.6352 8.3337 117.4289 57.6162 40.9618 179.3445 145 G 3.6582 8.2663 106.2756 47.5871 0.0000 175.5683 146 L 4.0549 7.7694 121.9669 57.6603 42.1850 178.2040 147 F 4.6541 8.4798 120.4129 61.3173 39.5743 176.8352 148 V 3.7924 7.5675 110.0129 61.9245 32.0390 177.5604 149 H 3.9367 7.7635 118.6556 59.6845 29.4865 176.3875 150 D 4.3134 7.6354 117.3844 56.1223 40.7563 176.9676 151 Y 4.6700 7.1151 115.7009 57.8545 38.5675 175.6178 152 I 4.4665 7.3512 117.3082 60.3791 39.8632 175.0958 153 H 4.5577 7.8725 114.6575 54.8964 29.9548 173.8894 154 D 4.1832 8.1854 116.2060 52.6022 38.8839 171.2313 155 D 5.1842 7.9153 135.0000 53.2668 41.9579 176.6312 156 V 3.8557 7.1264 114.7064 61.5806 32.6949 176.5652 157 L 4.1798 8.9918 124.1683 54.1375 42.3576 178.1685 158 S 4.3209 8.3617 117.9151 57.9116 65.0932 175.2814 159 K 3.8149 8.6772 122.9057 59.9811 31.8035 179.5816 160 S 4.1034 7.9382 113.6359 61.5393 62.8259 176.5915 161 K 3.9805 7.5590 121.3073 58.8339 31.7697 179.0917 162 R 3.9916 7.7452 118.5132 59.2209 30.2828 178.1660 163 Q 4.1485 8.4305 118.0695 58.9648 28.7818 178.8833 164 A 3.8445 7.6915 118.9578 53.3646 18.6615 178.6291 *166 L 4.1516 7.7717 122.2664 56.2683 44.0087 178.7232 167 E 3.9577 8.5338 118.3780 59.9585 29.1087 179.5429 168 T 3.8762 7.7423 114.3141 66.8235 68.2457 176.4336 169 I 3.9016 7.6894 121.1905 64.0124 37.1868 178.3627 170 L 4.0077 8.2479 120.4941 57.7913 41.3913 179.2521 171 E 4.2461 8.2739 116.1147 58.6785 29.3015 177.7716 172 L 4.4543 7.1614 118.4824 53.9522 42.5438 175.7721 173 I 4.0356 7.6781 119.8733 60.5793 37.8069 174.2574 174 P 4.4538 0.0000 0.0000 62.9542 31.1086 176.1748 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 T 8.17 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 S 8.04 4.00 0.00 3.99 3.87 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 5 K 8.70 4.50 0.00 1.82 1.83 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.44 7.81 6 K 7.63 3.90 0.00 1.60 1.73 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.40 0.92 7.81 7 E 7.92 4.78 0.00 2.06 1.90 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 2.40 2.35 0.00 *9 I 7.96 4.17 2.29 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 1.04 0.00 0.00 10 L 7.59 3.87 0.00 2.02 1.69 0.62 1.04 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 R 8.02 3.90 0.00 1.85 1.99 0.00 3.29 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 1.88 1.83 0.00 12 T 7.93 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 13 A 8.49 3.94 1.20 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 0.00 0.00 14 I 8.39 3.63 2.04 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 1.39 0.97 0.91 0.00 0.00 15 D 8.66 4.35 0.00 2.99 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 16 Y 8.25 4.09 0.00 3.28 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 17 I 8.30 4.11 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.71 1.12 0.00 0.00 18 G 7.72 3.55 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 0.00 19 E 7.67 3.78 0.00 1.71 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 1.47 1.78 0.00 20 Y 8.32 4.27 0.00 2.40 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.89 0.00 4.32 4.01 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 22 L 7.94 3.91 0.00 1.74 1.76 0.93 0.74 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 23 E 8.29 3.99 0.00 2.09 2.12 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 2.31 2.31 0.00 24 T 7.26 4.35 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 1.34 0.00 0.00 25 L 7.87 3.93 0.00 1.74 1.55 0.76 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.95 4.52 0.00 4.03 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 27 Y 8.46 3.98 0.00 3.02 3.04 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 28 D 8.28 4.73 0.00 2.77 2.73 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 29 S 7.66 4.04 0.00 3.98 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 30 L 8.04 3.74 0.00 1.57 1.76 0.80 1.21 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 31 A 8.91 3.98 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 0.00 0.00 0.00 0.00 0.00 32 E 8.19 3.86 0.00 1.95 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 0.00 2.36 2.36 0.00 33 A 7.82 4.24 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.31 4.21 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 1.26 0.00 0.00 35 G 8.01 4.01 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 36 L 7.36 4.29 0.00 1.70 1.70 0.99 1.07 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 37 S 8.13 4.69 0.00 4.04 3.99 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 0.00 0.00 0.00 38 K 8.40 3.99 0.00 1.86 1.82 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.63 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.46 7.81 39 S 8.09 4.19 0.00 3.87 3.91 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 0.00 0.00 0.00 40 G 8.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.13 4.29 0.00 2.22 2.11 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.89 4.37 1.96 0.00 0.00 0.48 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 1.05 0.89 0.00 0.00 43 Y 7.85 4.13 0.00 3.02 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 44 H 7.98 4.32 0.00 2.52 2.36 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.16 4.85 0.00 3.27 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.59 0.00 2.21 2.16 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 47 S 7.73 4.88 0.00 4.12 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 48 R 8.68 3.84 0.00 1.95 2.02 0.00 3.16 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 49 H 8.40 4.27 0.00 3.28 3.36 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.94 4.07 1.57 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 51 L 7.45 3.04 0.00 1.34 1.66 0.58 0.65 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 52 L 7.72 3.85 0.00 1.55 1.14 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0.00 0.00 70 I 7.04 4.26 2.00 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 1.51 1.00 0.88 0.00 0.00 71 T 7.17 3.99 4.62 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 1.38 0.00 0.00 72 R 9.20 4.03 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 D 7.81 4.70 0.00 2.71 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 74 P 0.00 4.55 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 75 E 7.86 4.25 0.00 1.91 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 2.24 2.20 0.00 76 D 7.95 4.55 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.24 0.00 2.33 2.35 0.00 3.75 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 2.11 2.11 0.00 78 L 8.04 4.08 0.00 1.93 1.79 0.98 1.11 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 79 E 8.42 4.02 0.00 2.26 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 2.42 2.50 0.00 80 R 8.15 4.36 0.00 2.54 2.38 0.00 2.87 0.00 0.00 3.02 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 81 L 8.17 4.02 0.00 1.86 2.00 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.30 3.87 0.00 2.07 2.15 0.00 3.16 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 83 A 7.66 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 84 V 8.02 3.58 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 1.10 0.00 0.00 1.15 0.00 0.00 85 V 7.79 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 86 V 7.88 3.74 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.50 0.00 95 P 0.00 4.21 0.00 2.19 2.08 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 96 E 8.10 4.12 0.00 2.14 2.19 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 2.47 2.46 0.00 97 L 7.79 3.99 0.00 1.41 1.55 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.96 4.00 0.00 1.83 1.66 0.81 0.42 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 99 L 8.19 4.01 0.00 2.13 1.92 0.74 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.30 3.60 0.00 1.66 1.60 0.96 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.51 3.84 1.94 0.00 0.00 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 1.40 0.45 0.91 0.00 0.00 102 D 8.29 4.51 0.00 3.00 2.73 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 0.00 103 A 8.42 4.25 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.28 0.00 2.07 2.19 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 105 S 8.27 4.45 0.00 4.11 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 0.00 106 H 8.27 4.48 0.00 2.90 2.12 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.21 0.00 2.25 2.25 0.00 3.17 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 108 D 8.36 4.42 0.00 2.61 2.84 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 0.00 0.00 0.00 109 F 7.95 4.63 0.00 3.31 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 0.00 110 L 8.19 4.26 0.00 1.99 1.82 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.70 4.30 0.00 2.91 2.94 0.00 0.00 7.03 7.27 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 0.00 112 A 7.81 3.99 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 0.00 113 W 8.29 4.62 0.00 3.53 3.31 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 0.00 114 R 8.20 3.80 0.00 2.18 2.38 0.00 2.86 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 1.66 1.74 0.00 115 T 7.98 3.87 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 1.36 0.00 0.00 116 V 7.27 4.24 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 0.84 0.00 0.00 0.04 0.00 0.00 117 N 8.07 4.96 0.00 2.69 2.64 0.00 0.00 6.65 7.90 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 0.00 118 H 8.15 5.02 0.00 3.22 3.24 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.23 4.47 0.00 2.13 1.60 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 2.15 2.14 0.00 120 W 8.03 4.83 0.00 3.11 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 0.00 121 I 7.78 4.28 1.91 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 0.38 1.02 0.00 0.00 122 P 0.00 4.48 0.00 2.35 2.14 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 123 D 8.48 4.57 0.00 2.82 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 0.00 124 T 8.17 3.92 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 1.14 0.00 0.00 125 D 7.49 4.61 0.00 2.76 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 0.00 126 D 8.74 4.54 0.00 2.90 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 0.00 127 L 7.80 4.15 0.00 1.82 1.83 0.56 0.56 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 0.00 128 E 8.37 4.04 0.00 1.94 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 2.31 2.39 0.00 129 N 8.05 4.76 0.00 2.67 2.80 0.00 0.00 6.92 8.17 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 0.00 130 D 7.51 4.69 0.00 2.79 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 0.00 131 A 8.46 4.09 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 0.00 132 H 8.77 4.15 0.00 3.27 3.46 0.00 5.82 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 0.00 133 K 8.43 3.86 0.00 2.22 1.85 0.00 1.90 0.00 0.00 2.05 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.59 7.81 134 R 8.14 4.02 0.00 2.13 2.44 0.00 2.85 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 135 A 7.97 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.76 3.56 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.83 0.00 0.00 137 Y 7.99 3.75 0.00 3.35 3.04 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 0.00 138 L 8.20 3.97 0.00 1.96 1.68 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.28 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 140 Q 7.49 3.88 0.00 1.88 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.79 2.07 0.00 141 L 8.18 3.93 0.00 1.96 1.70 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.17 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.48 3.98 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 0.00 144 D 8.33 4.64 0.00 2.98 2.83 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 0.00 145 G 8.27 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 0.00 0.00 0.00 146 L 7.77 4.05 0.00 1.67 1.89 0.85 0.79 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 0.00 147 F 8.48 4.65 0.00 3.05 3.33 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 0.00 148 V 7.57 3.79 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 0.56 0.00 0.00 0.98 0.00 0.00 149 H 7.76 3.94 0.00 3.40 3.35 0.00 5.59 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 0.00 150 D 7.64 4.31 0.00 1.80 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 0.00 0.00 0.00 0.00 151 Y 7.12 4.67 0.00 2.91 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 0.00 152 I 7.35 4.47 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.67 0.00 0.00 153 H 7.87 4.56 0.00 3.04 3.19 0.00 6.05 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.19 4.18 0.00 2.70 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 0.00 155 D 7.92 5.18 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 0.00 156 V 7.13 3.86 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 0.69 0.00 0.00 0.89 0.00 0.00 157 L 8.99 4.18 0.00 1.46 1.50 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.36 4.32 0.00 4.02 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 0.00 159 K 8.68 3.81 0.00 1.79 1.90 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 160 S 7.94 4.10 0.00 4.02 4.10 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 0.00 161 K 7.56 3.98 0.00 1.78 1.86 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.41 7.81 162 R 7.75 3.99 0.00 1.91 2.07 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 163 Q 8.43 4.15 0.00 2.29 2.12 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 2.36 2.51 0.00 164 A 7.69 3.84 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 *166 L 7.77 4.15 0.00 1.79 1.92 0.91 0.94 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 0.00 167 E 8.53 3.96 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 2.33 2.50 0.00 168 T 7.74 3.88 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 1.21 0.00 0.00 169 I 7.69 3.90 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 1.64 1.10 0.91 0.00 0.00 170 L 8.25 4.01 0.00 1.98 1.72 0.92 1.10 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 0.00 171 E 8.27 4.25 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 172 L 7.16 4.45 0.00 1.82 1.92 0.93 1.05 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 0.00 173 I 7.68 4.04 1.93 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 1.31 0.81 0.93 0.00 0.00 174 P 0.00 4.45 0.00 2.15 2.04 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.