NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7530 8.4093 119.2058 53.8214 40.1378 173.2418 5 N 4.9165 8.1783 115.4131 50.9330 38.1357 174.8340 6 L 3.9166 8.4821 123.4173 59.2028 42.8492 179.6448 7 V 3.5815 7.7466 117.5191 65.9832 31.5439 177.6734 8 E 4.1133 8.1597 117.9627 59.8312 29.2517 179.3871 9 T 3.9534 8.0561 108.6458 64.9143 69.2174 176.1892 10 T 4.0435 8.1087 118.6875 66.9693 68.4621 175.8115 11 C 4.4146 8.5290 118.2350 59.9869 39.9549 176.3283 12 K 3.9291 8.1960 119.3918 58.8427 31.6782 177.3900 13 N 4.9729 7.8035 115.5210 52.8558 40.1514 174.6460 14 T 4.7690 7.0502 108.6658 59.1419 72.0162 172.0661 15 P 4.4823 0.0000 0.0000 64.0508 31.6125 177.3736 16 N 4.9165 8.0311 117.2067 51.1086 40.3179 173.6182 17 Y 4.3440 8.6610 124.2333 60.6761 39.1406 177.5244 18 Q 3.7003 8.0603 118.2245 58.5830 28.8836 178.2826 19 L 3.8892 7.9827 120.9951 58.1629 42.0900 178.0838 20 C 4.1532 8.2387 118.5531 59.5780 41.7952 175.4214 21 L 3.7490 7.6863 121.9316 58.0275 41.5762 179.0989 22 K 3.9913 7.9782 118.7467 60.0248 32.2141 179.3787 23 T 3.8663 7.6307 116.2716 66.4896 68.7710 176.3826 24 L 4.1217 8.1593 121.2203 57.8843 41.4832 179.6792 25 L 4.0977 7.6978 117.2524 57.4007 41.5710 179.2378 26 S 4.3137 7.7014 114.1055 58.9594 63.1966 173.3148 27 D 4.8655 7.5000 122.5521 52.1125 42.3559 177.2235 28 K 4.0871 8.6098 125.9080 59.1134 32.2143 178.9629 29 R 4.1213 8.5123 118.4116 57.9678 29.7090 178.3059 30 S 4.3113 8.0319 113.3780 60.2414 63.2644 175.2755 31 A 4.1407 7.6577 126.1300 54.7027 18.1788 178.1568 32 T 4.5523 7.6797 101.5968 60.8482 70.2664 174.5657 33 G 3.6763 7.7887 111.8501 45.5984 0.0000 174.1016 34 D 4.7217 8.3102 122.3966 52.2783 42.4995 177.3037 35 I 3.7183 8.1737 118.9139 64.7752 36.8648 178.6301 36 T 3.8651 7.9391 116.2723 66.9494 68.2486 176.5354 37 T 3.8570 8.3589 117.5847 66.5821 68.4878 176.5877 38 L 3.9493 8.1529 120.7464 57.7610 41.5925 179.4294 39 A 3.9989 8.2743 120.8121 55.2380 18.3319 179.5684 40 L 3.9233 8.1383 117.5870 58.0157 41.6845 179.7791 41 I 3.6692 8.0404 119.9345 64.7104 37.0781 178.1433 42 M 4.0291 8.1014 118.8925 58.4978 31.9691 178.3435 43 V 3.5905 8.0155 118.5584 66.2469 31.7416 177.7599 44 D 4.3307 8.1553 118.3465 57.3015 40.7054 178.7254 45 A 4.0205 8.1306 121.3738 54.9924 18.3228 179.6690 46 I 3.6510 7.8887 118.4027 64.4665 37.1892 178.3583 47 K 3.8795 8.2756 120.2676 59.5903 32.0177 178.4743 48 A 3.9572 8.0484 120.8252 55.2244 18.2098 179.8487 49 K 3.9308 8.0150 116.2652 59.4845 32.1094 179.5550 50 A 4.0075 8.5174 121.5688 55.1021 18.2921 179.3895 51 N 4.2430 8.8469 115.4407 56.5643 38.5420 177.6561 52 Q 3.8446 7.8669 118.6001 58.7729 28.7658 178.5526 53 A 3.4798 7.8943 121.7054 54.9218 18.2853 179.5087 54 A 3.7109 7.8307 119.4837 55.4224 18.4022 180.3618 55 V 3.5269 7.5866 110.8690 64.5929 31.5727 178.8589 56 T 3.7374 7.8603 115.7379 66.6184 68.1930 176.3691 57 I 3.5160 7.3016 121.5258 64.6864 37.1177 178.6066 58 S 4.1310 7.8781 115.5959 61.4929 62.4792 177.0125 59 K 3.9746 8.3904 121.5275 59.4416 31.5996 179.2950 60 L 4.1487 7.8002 117.8992 58.1147 41.6111 179.6053 61 R 4.1616 8.3819 118.1219 59.4997 29.7416 178.6341 62 H 4.2240 8.3657 117.7642 58.8467 29.9517 176.6293 63 S 4.4808 7.7482 113.5702 57.5179 64.2283 172.5302 64 N 4.1023 7.6366 122.6755 53.2350 35.1699 172.0809 65 P 4.6556 0.0000 0.0000 60.7670 33.1214 175.2784 66 P 4.2022 0.0000 0.0000 62.3597 31.8521 177.4575 67 A 3.9671 8.7759 123.0497 55.6257 17.9213 179.9494 68 A 4.0152 8.0419 117.5434 54.9082 18.6130 178.8832 69 W 4.8102 8.4686 115.9868 57.5732 29.6268 178.9177 70 K 4.1618 8.0192 119.8639 59.3536 31.4798 179.3271 71 G 3.4885 7.9732 105.2966 47.3700 0.0000 173.6004 72 P 3.9378 0.0000 0.0000 65.0024 31.1608 178.6325 73 L 4.2353 8.2084 117.9893 57.7656 41.5483 179.5480 74 K 3.9783 8.2203 119.5102 59.5178 32.1640 178.6110 75 N 4.2544 8.3573 117.0726 56.6364 38.3337 176.7219 76 C 4.6490 8.9675 118.0282 60.1334 41.4795 176.0614 77 A 4.0448 8.4599 122.5172 55.1288 17.9870 179.5013 78 F 4.0921 8.2557 118.7109 61.5117 39.5444 177.2819 79 S 4.0877 8.3782 114.8294 62.2167 62.5275 176.6111 80 Y 3.8394 8.2594 119.1910 60.5084 37.5780 178.0434 81 K 3.9139 8.1776 120.8649 59.4944 32.1323 178.9906 82 V 3.3552 7.3780 118.2161 65.9249 31.4152 177.9340 83 I 3.6186 7.5286 119.4790 64.5784 36.7584 178.3974 84 L 4.0900 7.9166 118.1180 57.2463 41.6220 178.7517 85 T 4.2453 7.8993 114.1986 64.8271 69.2903 175.5165 86 A 4.4964 8.0869 121.0354 53.9333 20.4038 179.0234 87 S 4.0465 7.7071 112.0044 61.7548 63.0926 177.0476 88 L 3.9960 8.0645 121.5419 57.3048 41.4033 177.6473 89 P 4.2065 0.0000 0.0000 65.4977 31.2093 177.9194 90 E 3.8831 8.4759 118.0855 59.4094 29.4516 178.8659 91 A 4.0137 7.9544 120.4440 55.2245 18.4743 179.5864 92 I 3.6274 7.9700 118.5104 64.4925 37.2088 178.2497 93 E 3.8952 8.3368 119.8263 59.2205 29.4069 178.7257 94 A 4.0250 8.1819 120.7923 55.2225 17.9914 179.5573 95 L 3.9734 8.1587 117.9059 58.2451 41.4893 179.9382 96 T 4.0271 7.9414 108.5616 64.0763 68.9792 176.0394 97 K 4.3594 8.0334 118.7698 55.4959 32.5181 176.7692 98 G 3.8408 7.6902 106.5976 46.9595 0.0000 174.0184 99 D 5.0403 8.2359 115.9611 51.2108 41.0875 174.5780 100 P 4.3930 0.0000 0.0000 65.5544 31.5045 178.5345 101 K 3.9851 8.0632 118.3890 59.9848 32.1554 178.8554 102 F 4.3754 8.0429 118.1543 59.9290 38.6240 177.3836 103 A 4.0937 8.4910 121.4057 54.6930 18.2225 179.1434 104 E 3.8713 8.1521 117.5689 59.5747 29.7736 178.4475 105 D 4.4908 7.9349 119.1545 57.5938 40.8408 179.2485 106 G 3.6596 7.9581 106.1005 47.9553 0.0000 175.5231 107 M 4.2092 7.8441 122.1573 56.9752 32.1262 178.8370 108 V 3.6714 7.9915 118.8002 65.8489 31.5968 178.4006 109 G 3.5375 8.0631 105.5137 47.8890 0.0000 175.8411 110 S 4.0895 8.3106 117.8728 60.9293 62.7585 176.4443 111 S 4.2323 8.3879 116.9886 61.1733 62.1347 176.4934 112 G 3.5696 8.0921 108.3973 47.9159 0.0000 175.5085 113 D 4.3118 8.5178 121.6270 56.8765 40.7849 178.6375 114 A 3.9283 7.9916 121.3501 55.3253 18.3549 179.7778 115 Q 3.8794 7.8425 116.6670 58.8399 28.5179 178.5639 116 E 3.6477 8.1485 119.2573 59.3924 29.8254 178.2245 117 C 4.2798 8.1161 118.4383 59.7594 41.0771 175.0614 118 E 3.8146 8.0585 120.7494 59.5785 28.9475 178.7137 119 E 4.0108 7.9847 116.9990 59.1651 29.4818 178.5466 120 Y 4.4851 7.3241 116.3854 58.9180 38.1499 177.2481 121 F 4.2255 8.4482 121.8851 58.1517 37.3130 179.2238 *125 K 4.1141 9.0326 130.8768 54.8683 32.8662 177.1648 126 S 3.1847 8.0917 119.0356 55.4925 63.4370 173.5403 127 P 4.3024 0.0000 0.0000 64.3600 31.2169 176.4239 128 F 4.9399 6.6749 115.0608 55.5529 38.6460 177.1571 129 S 4.1565 7.9536 120.0125 62.1778 62.3990 175.4515 130 A 4.0825 7.9251 123.5443 54.7045 18.0264 179.5228 131 L 3.9859 8.0295 117.5520 57.9615 41.7017 179.2390 132 N 4.6268 8.1958 117.2827 55.8938 38.5086 177.2728 133 I 3.7136 8.3184 121.2415 64.2989 37.1394 178.3209 134 A 3.9888 8.1632 121.5574 55.1481 18.2491 179.7589 135 V 3.5656 8.1968 117.1266 66.4031 31.6374 177.6392 136 H 4.1500 8.5041 118.0131 59.3934 29.7630 177.0778 137 E 3.8530 8.5621 120.6438 59.5129 29.2571 179.4590 138 L 4.0416 8.1436 119.0809 57.7716 41.5176 179.8143 139 S 4.1157 8.1487 115.3009 61.7375 62.8823 176.4793 140 D 4.3155 8.1954 121.6131 56.9987 40.4332 178.9887 141 V 3.6699 7.9195 119.1163 65.9868 31.5082 178.3864 142 G 3.5726 8.3377 105.6917 47.7639 0.0000 175.6299 143 R 3.9094 8.3156 120.6856 59.1812 29.8973 179.0350 144 A 4.0041 7.6865 118.7702 55.0593 18.5766 179.2282 145 I 3.7919 7.9113 118.5286 64.8027 37.1646 178.8419 146 V 3.6127 8.0244 118.9609 65.9097 31.3133 177.9331 147 R 3.8443 7.9671 118.1136 59.4074 29.5829 177.9920 148 N 4.3318 7.7976 115.4524 56.1674 38.6040 176.4053 149 L 4.2881 7.8973 118.1224 55.5408 42.0861 176.8419 150 L 4.2495 7.5795 123.9999 54.7738 41.7472 176.2475 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 4 N 8.41 4.75 0.00 2.70 2.81 0.00 0.00 6.78 6.91 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 5 N 8.18 4.92 0.00 2.96 2.95 0.00 0.00 5.54 5.79 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 6 L 8.48 3.92 0.00 1.78 1.72 0.93 0.90 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 7 V 7.75 3.58 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 1.07 0.00 0.00 0.93 0.00 0.00 8 E 8.16 4.11 0.00 2.23 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 0.00 2.46 2.37 0.00 9 T 8.06 3.95 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 10 T 8.11 4.04 4.47 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 1.22 0.00 0.00 11 C 8.53 4.41 0.00 3.21 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.20 3.93 0.00 1.94 1.82 0.00 1.51 0.00 0.00 1.28 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.63 7.81 13 N 7.80 4.97 0.00 2.93 2.84 0.00 0.00 6.78 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 14 T 7.05 4.77 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 15 P 0.00 4.48 0.00 2.06 2.14 0.00 3.69 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 2.01 2.06 0.00 16 N 8.03 4.92 0.00 2.71 2.64 0.00 0.00 6.72 6.97 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 17 Y 8.66 4.34 0.00 3.05 2.96 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 18 Q 8.06 3.70 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 19 L 7.98 3.89 0.00 1.81 1.84 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.24 4.15 0.00 3.07 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 21 L 7.69 3.75 0.00 1.29 1.44 0.87 0.02 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 22 K 7.98 3.99 0.00 1.99 1.99 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.44 7.81 23 T 7.63 3.87 4.35 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 1.19 0.00 0.00 24 L 8.16 4.12 0.00 1.62 1.69 0.91 0.53 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 25 L 7.70 4.10 0.00 1.65 1.71 0.88 0.97 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 26 S 7.70 4.31 0.00 3.94 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 27 D 7.50 4.87 0.00 2.67 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 28 K 8.61 4.09 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 29 R 8.51 4.12 0.00 1.92 1.97 0.00 3.12 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 30 S 8.03 4.31 0.00 4.03 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.66 4.14 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 32 T 7.68 4.55 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 33 G 7.79 3.68 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 0.00 0.00 0.00 34 D 8.31 4.72 0.00 2.96 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 35 I 8.17 3.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.68 0.92 0.00 0.00 36 T 7.94 3.87 4.40 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 1.25 0.00 0.00 37 T 8.36 3.86 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 38 L 8.15 3.95 0.00 1.85 1.72 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.27 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 40 L 8.14 3.92 0.00 1.85 1.74 0.92 0.99 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 41 I 8.04 3.67 2.04 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 1.57 0.90 0.90 0.00 0.00 42 M 8.10 4.03 0.00 2.25 2.05 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 2.59 2.66 0.00 43 V 8.02 3.59 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 1.06 0.00 0.00 1.00 0.00 0.00 44 D 8.16 4.33 0.00 2.90 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 45 A 8.13 4.02 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 46 I 7.89 3.65 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.95 0.00 0.00 47 K 8.28 3.88 0.00 1.90 2.00 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.48 7.81 48 A 8.05 3.96 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 49 K 8.02 3.93 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.61 7.81 50 A 8.52 4.01 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 51 N 8.85 4.24 0.00 2.95 2.84 0.00 0.00 7.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.87 3.84 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 53 A 7.89 3.48 0.42 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 54 A 7.83 3.71 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 55 V 7.59 3.53 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 0.75 0.00 0.00 0.97 0.00 0.00 56 T 7.86 3.74 3.97 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 0.00 0.00 1.08 0.00 0.00 57 I 7.30 3.52 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.36 0.94 0.00 0.00 58 S 7.88 4.13 0.00 3.98 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 59 K 8.39 3.97 0.00 1.93 1.87 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.59 7.81 60 L 7.80 4.15 0.00 1.91 1.99 1.03 1.05 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 61 R 8.38 4.16 0.00 2.05 2.04 0.00 3.20 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 62 H 8.37 4.22 0.00 3.29 3.53 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.75 4.48 0.00 4.07 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.64 4.10 0.00 2.90 2.93 0.00 0.00 6.96 7.71 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 65 P 0.00 4.66 0.00 2.46 2.45 0.00 3.84 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 66 P 0.00 4.20 0.00 1.72 1.69 0.00 3.46 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.54 0.00 67 A 8.78 3.97 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 68 A 8.04 4.02 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 69 W 8.47 4.81 0.00 3.62 3.38 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 70 K 8.02 4.16 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.72 7.81 71 G 7.97 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.94 0.00 1.00 0.91 0.00 3.55 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 1.86 1.98 0.00 73 L 8.21 4.24 0.00 1.98 1.86 1.23 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.22 3.98 0.00 1.84 1.98 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.49 7.81 75 N 8.36 4.25 0.00 2.51 2.00 0.00 0.00 7.06 7.37 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 76 C 8.97 4.65 0.00 3.48 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 77 A 8.46 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.26 4.09 0.00 3.16 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.38 4.09 0.00 4.08 3.74 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 80 Y 8.26 3.84 0.00 3.07 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 81 K 8.18 3.91 0.00 1.88 1.65 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 82 V 7.38 3.36 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 0.96 0.00 0.00 0.23 0.00 0.00 83 I 7.53 3.62 1.91 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.34 0.94 0.00 0.00 84 L 7.92 4.09 0.00 1.69 1.73 1.01 0.81 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 85 T 7.90 4.25 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 1.19 0.00 0.00 86 A 8.09 4.50 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.71 4.05 0.00 3.98 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 88 L 8.06 4.00 0.00 1.69 1.71 0.95 0.94 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 89 P 0.00 4.21 0.00 2.14 2.10 0.00 3.64 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 2.23 2.14 0.00 90 E 8.48 3.88 0.00 2.11 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 2.37 2.35 0.00 91 A 7.95 4.01 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 92 I 7.97 3.63 2.00 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 1.41 0.87 0.91 0.00 0.00 93 E 8.34 3.90 0.00 2.06 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 2.26 2.30 0.00 94 A 8.18 4.03 1.52 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 95 L 8.16 3.97 0.00 1.90 1.74 0.96 0.60 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 96 T 7.94 4.03 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 1.24 0.00 0.00 97 K 8.03 4.36 0.00 1.85 1.89 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 98 G 7.69 3.84 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 0.00 0.00 0.00 99 D 8.24 5.04 0.00 2.72 2.75 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 0.00 100 P 0.00 4.39 0.00 2.31 2.32 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 101 K 8.06 3.99 0.00 1.78 1.98 0.00 1.22 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 0.60 7.81 102 F 8.04 4.38 0.00 3.20 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 0.00 103 A 8.49 4.09 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 0.00 104 E 8.15 3.87 0.00 2.02 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 2.36 2.39 0.00 105 D 7.93 4.49 0.00 3.10 2.76 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 0.00 106 G 7.96 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 0.00 107 M 7.84 4.21 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 108 V 7.99 3.67 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 1.01 0.00 0.00 0.97 0.00 0.00 109 G 8.06 3.54 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 0.00 110 S 8.31 4.09 0.00 4.03 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 0.00 111 S 8.39 4.23 0.00 3.97 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 0.00 112 G 8.09 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 0.00 113 D 8.52 4.31 0.00 2.58 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 0.00 114 A 7.99 3.93 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.84 3.88 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 116 E 8.15 3.65 0.00 1.93 1.63 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 2.25 2.41 0.00 117 C 8.12 4.28 0.00 3.12 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.06 3.81 0.00 2.18 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 2.23 2.34 0.00 119 E 7.98 4.01 0.00 1.94 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 2.28 2.40 0.00 120 Y 7.32 4.49 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.45 4.23 0.00 3.09 2.32 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 *125 K 9.03 4.11 0.00 1.80 1.67 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 126 S 8.09 3.18 0.00 2.72 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.30 0.00 2.06 1.90 0.00 2.20 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 128 F 6.67 4.94 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 S 7.95 4.16 0.00 3.92 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 0.00 130 A 7.93 4.08 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 0.00 131 L 8.03 3.99 0.00 2.00 1.73 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.20 4.63 0.00 2.90 3.05 0.00 0.00 7.62 7.25 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 0.00 133 I 8.32 3.71 2.01 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 1.45 0.68 0.93 0.00 0.00 134 A 8.16 3.99 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 0.00 0.00 0.00 0.00 0.00 135 V 8.20 3.57 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.19 0.00 0.00 136 H 8.50 4.15 0.00 3.21 3.54 0.00 5.64 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 0.00 137 E 8.56 3.85 0.00 2.06 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 2.31 2.61 0.00 138 L 8.14 4.04 0.00 1.74 1.72 0.93 0.89 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 0.00 139 S 8.15 4.12 0.00 4.08 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 0.00 140 D 8.20 4.32 0.00 2.76 2.66 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 0.00 141 V 7.92 3.67 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 1.08 0.00 0.00 0.92 0.00 0.00 142 G 8.34 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 0.00 143 R 8.32 3.91 0.00 2.01 2.00 0.00 3.27 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 144 A 7.69 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.91 3.79 2.01 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 1.41 1.55 0.91 0.00 0.00 146 V 8.02 3.61 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 1.00 0.00 0.00 147 R 7.97 3.84 0.00 2.08 2.02 0.00 3.15 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 N 7.80 4.33 0.00 2.82 2.89 0.00 0.00 7.03 9.19 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 0.00 149 L 7.90 4.29 0.00 1.78 1.71 0.93 1.17 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 0.00 150 L 7.58 4.25 0.00 1.73 1.54 0.91 0.84 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 * Residues marked with a * may have inaccurate shift predictions.