NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.2499 8.3444 121.7099 55.7237 30.0047 173.9871 10 K 4.3241 8.4341 126.0437 53.5639 34.7136 173.7609 11 S 4.6458 8.6583 120.7683 56.9254 64.2030 172.8673 12 K 4.1425 7.9235 124.9067 57.0777 32.6395 177.5203 13 F 5.0732 7.6499 117.6680 56.9827 41.5690 175.2694 14 R 4.2186 10.3367 127.5765 59.3399 31.0352 177.1457 15 R 4.7607 7.6150 114.4262 55.3441 34.7602 174.1835 16 I 4.5881 8.0430 121.9341 59.5819 41.4980 173.9228 17 C 5.3906 8.2302 125.4101 57.5234 33.2897 172.3479 18 V 4.6057 8.0826 125.3882 61.1343 33.2301 174.4086 19 F 5.3269 7.9288 125.3828 56.2843 42.1075 174.5423 20 C 5.2006 8.3505 114.8632 57.8796 32.3872 173.3004 21 G 3.7010 8.5829 108.8720 45.7454 0.0000 175.1226 22 S 4.1410 8.8738 120.8607 60.9037 63.2825 174.5729 23 S 4.5562 7.7835 116.0791 57.4661 64.5829 174.0816 24 Q 4.4738 8.4600 117.3965 55.2933 28.7496 176.0310 25 G 3.8409 7.8147 106.6202 44.9581 0.0000 174.4605 26 K 4.0024 8.0494 118.7748 57.7706 32.7883 177.6783 27 K 4.5128 7.1272 118.7012 54.5149 33.6977 177.5474 28 S 4.5667 8.8338 119.7369 60.3515 62.7858 176.6584 29 S 4.1766 8.2093 118.0238 61.6367 62.5605 175.8798 30 Y 3.9497 8.4983 120.6068 60.8826 37.1679 177.9126 31 Q 4.0731 8.0346 118.6348 59.0384 28.8496 178.2721 32 D 4.4362 8.4788 119.8569 57.0885 40.8121 178.6399 33 A 3.9990 7.7443 121.4053 54.8934 18.1910 179.5024 34 A 3.9974 7.9084 119.1045 54.8591 18.4493 180.1802 35 V 3.5436 7.7097 116.8643 66.3687 31.7135 178.0989 36 D 4.3757 8.4481 119.0831 57.0790 40.5998 178.5438 37 L 4.0320 8.1045 121.1395 58.1312 42.0801 179.3277 38 G 3.5743 7.7852 105.6628 47.8963 0.0000 175.4141 39 N 4.4039 8.2725 118.4473 55.3322 38.4505 177.3158 40 E 4.0771 8.0216 122.6706 58.5572 29.7989 178.3810 41 L 3.9303 7.8515 119.0188 57.8903 41.7524 179.6127 42 V 3.5694 7.8833 118.1459 66.2037 31.3894 178.2053 43 S 4.4762 8.2900 113.5233 60.6695 62.3584 175.4886 44 R 4.5556 7.4947 119.2652 54.8986 30.4006 175.4998 45 N 4.2505 8.3745 115.2454 54.3736 36.5982 173.6495 46 I 4.4688 8.1117 118.8047 60.0072 38.8588 176.0570 47 D 4.7818 8.3621 125.8700 53.6373 43.1818 174.6192 48 L 4.7924 8.8334 121.4230 53.5539 45.1070 175.5949 49 V 4.6953 8.6769 124.5486 61.4706 33.5486 173.3025 50 Y 4.5758 9.2068 127.1606 55.3531 41.6594 174.8967 51 G 3.4668 8.8365 106.0476 45.0070 0.0000 173.1339 52 G 3.7652 5.8883 119.3338 44.4964 0.0000 171.5309 53 G 4.2806 7.5439 108.6982 43.7564 0.0000 172.7318 54 S 4.6860 8.6929 111.0855 57.6782 63.6647 173.6660 55 I 4.2902 7.6506 114.3048 59.6592 40.2044 176.7175 56 G 4.1015 8.2599 107.7802 44.3715 0.0000 175.3253 57 L 4.4705 7.7420 117.0191 54.3778 40.8918 179.6310 *59 G 3.9361 8.2270 108.8639 45.7226 0.0000 175.7438 60 L 3.9814 7.4779 119.8031 57.4550 41.5714 180.0473 61 V 3.7990 7.9296 119.3594 64.6039 31.5406 178.6810 62 S 3.6960 7.6563 114.5160 61.0735 62.9248 176.1362 63 Q 3.8907 8.1566 123.0657 58.5817 28.8435 177.8877 64 A 4.0213 7.8161 121.5708 55.1365 18.4195 179.8229 65 V 3.5405 7.7131 116.7819 66.0408 31.4784 177.8794 66 H 4.0634 8.2423 118.1259 59.3836 29.5666 176.8583 67 D 4.4860 8.4588 119.7913 57.4354 40.8220 178.8894 68 G 3.7920 7.7345 103.8783 45.9017 0.0000 174.3616 69 G 3.8375 8.1572 109.3330 45.4080 0.0000 173.4062 70 R 4.5649 7.3894 118.0202 54.4815 32.5257 175.4755 71 H 4.6970 10.0879 121.6586 56.0957 31.4610 174.1474 72 V 4.8477 8.3857 123.2373 61.1996 35.1021 173.8873 73 I 4.8940 8.7969 127.8002 59.4297 40.8534 174.4693 74 G 4.6221 8.6654 112.6336 45.4685 0.0000 171.4845 75 I 5.0860 8.1336 126.2456 59.5461 38.8322 175.2530 76 I 4.6100 9.0075 121.0451 58.1564 40.3778 173.2528 77 P 4.8408 0.0000 0.0000 62.4071 31.9578 177.1151 78 K 4.1227 9.4163 126.5988 58.5803 32.0047 177.8653 79 T 4.1105 7.6645 109.5529 64.9936 70.1758 174.5073 80 L 3.9919 8.1589 120.6806 55.6938 38.9535 178.8606 *90 V 3.5981 8.7995 104.2432 61.6526 33.2320 176.7440 91 G 3.9077 8.7424 111.6180 45.4094 0.0000 172.2004 92 E 4.2785 8.3086 118.5420 56.4886 31.0946 176.5206 93 V 4.6412 8.1502 121.9757 61.4390 34.4023 174.3533 94 R 4.8386 9.1041 126.2947 54.2252 33.8088 174.4937 95 A 5.7198 8.5291 123.4159 49.6064 21.2334 175.8051 96 V 4.1727 8.2725 114.8681 59.3249 34.9975 175.4935 97 A 3.9228 8.8401 121.2691 55.7528 17.6764 179.4765 98 D 4.5410 8.1459 108.3999 53.6109 40.0556 177.6180 *100 H 4.8681 9.3929 114.8194 55.8304 31.1289 175.3709 101 Q 4.1471 9.1531 118.3554 58.4615 28.1017 178.7225 102 R 3.8764 7.5400 119.4550 59.4050 30.2996 178.1707 103 K 4.1711 8.1145 116.4021 59.5026 32.3398 178.5872 104 A 4.4049 8.1590 120.8843 55.2883 18.2146 180.2432 105 E 4.2140 8.0813 113.6072 57.1214 29.1401 178.8906 *107 A 4.8441 7.9333 124.1482 52.3987 20.5860 179.9120 108 K 3.9724 8.4092 115.9117 59.7724 32.2578 177.2612 109 H 4.7480 8.5084 113.8205 55.8400 28.8460 174.7773 110 S 4.8096 7.5741 113.9976 56.4880 65.6152 173.5052 111 D 4.6872 8.6563 120.7133 55.9481 42.0507 175.9831 112 A 4.4810 7.0948 117.9471 50.3346 23.4672 174.5598 113 F 5.2980 9.2985 115.7054 56.2374 43.0268 174.7359 114 I 5.2891 8.7576 122.2559 59.6715 41.9984 173.9156 115 A 5.0642 9.1904 126.9805 50.3162 21.7070 176.1780 116 L 4.8030 8.3393 122.5872 52.5570 43.8752 174.7897 117 P 3.8602 0.0000 0.0000 63.3744 32.3210 176.3359 118 G 4.3316 7.1439 108.3866 45.0923 0.0000 174.1507 119 G 4.0661 7.8572 107.9513 44.2614 0.0000 174.8168 120 Y 4.5317 8.3916 117.9780 61.3495 37.9244 178.7068 121 G 3.6251 8.1893 105.7820 48.1676 0.0000 175.5354 122 T 4.1149 7.8828 119.5124 65.7319 68.5633 176.3548 123 L 4.0411 8.1802 122.0903 57.9878 42.0500 178.5991 124 E 3.8677 8.3022 119.6141 59.0103 29.5761 178.5374 125 E 3.4478 8.1273 119.0249 58.8042 29.2060 179.0705 126 L 3.8142 7.6269 120.3079 58.2350 42.2068 179.1229 127 L 3.8816 7.8255 118.7905 57.3786 41.4216 179.3659 128 E 3.3751 7.6922 119.4309 59.2376 29.5943 179.3480 129 V 3.0479 6.7071 112.1446 64.0908 31.4789 178.7278 130 I 3.7539 7.8589 120.0829 64.6016 36.8906 178.6165 131 T 3.9172 7.9689 116.8205 66.4419 68.2637 176.8070 132 W 4.4657 8.2593 120.7249 59.7775 28.9746 178.4445 133 A 4.2146 8.0166 121.7423 54.4973 17.5231 179.4989 134 Q 3.9520 7.7113 117.1109 59.2394 29.3042 177.8449 135 L 4.3112 7.9055 117.6304 55.2611 41.8721 177.9938 136 G 3.9688 7.6383 106.8370 45.6433 0.0000 174.7984 137 I 3.8017 8.0048 121.5131 63.7853 37.0766 175.7672 138 H 5.1545 7.9889 113.3896 53.8907 31.4571 172.4852 139 D 4.8855 8.5814 116.3093 53.7869 41.7146 175.1911 140 K 4.5048 8.6203 116.7555 54.9506 32.9014 175.4131 141 P 4.5732 0.0000 0.0000 62.6992 32.9859 175.2827 142 V 4.9775 8.5593 122.2368 61.2388 34.5683 174.4546 143 G 4.5389 9.7745 114.6830 44.4635 0.0000 170.9023 144 L 5.0890 9.0387 121.3696 52.7280 44.4758 175.8901 145 L 4.5841 8.9394 127.3798 53.8828 41.7206 174.8498 146 N 4.7696 9.2431 124.0818 52.7715 38.9210 172.6042 147 V 3.8123 8.0932 124.7875 62.5346 32.0783 175.9143 148 D 4.4562 9.6195 129.4707 55.5203 38.4628 174.6466 149 G 4.3844 7.9652 103.2872 46.3745 0.0000 174.7300 150 Y 4.0970 8.0562 121.4077 60.9218 38.8627 177.5694 151 Y 4.4945 7.8153 114.5476 57.9554 38.2101 176.8467 152 N 4.3239 8.2575 120.1196 57.0063 38.6901 177.3406 153 S 4.2364 8.0286 115.4234 61.1272 62.9359 176.4369 154 L 4.0723 7.8226 122.9472 58.2440 42.0495 178.7901 155 L 4.0850 8.4382 119.3628 57.9784 41.5028 179.7682 156 S 4.4690 8.2531 116.5868 60.6633 62.7540 176.4398 157 F 4.1899 8.6675 123.9076 61.3333 39.0584 177.1239 158 I 3.3332 7.8310 119.3314 64.5023 36.7766 177.7965 159 D 4.3603 8.0301 119.5533 57.5311 40.6132 179.2436 160 K 3.9795 7.8819 119.4569 59.3185 32.3008 178.2546 161 A 4.1835 7.8647 119.0999 53.3008 17.9162 178.6292 162 V 4.2076 7.1293 118.8946 63.9059 32.3904 177.4310 163 E 3.9614 7.8730 117.8856 58.6825 29.5380 177.5715 164 E 4.3899 8.2231 116.4975 55.4968 29.9798 176.1460 165 G 3.5753 7.7692 106.9904 47.1331 0.0000 174.6424 166 F 4.7466 8.1550 116.7944 56.6843 41.3232 175.8440 167 I 4.5217 7.8909 121.7725 58.9207 39.9886 174.9337 168 S 4.2067 8.6833 120.3452 58.0024 63.1981 173.6066 169 P 4.2434 0.0000 0.0000 66.4235 31.3524 178.7209 170 T 4.5397 8.1148 114.7969 65.4909 68.7112 176.7272 171 A 4.0931 8.4273 123.1904 54.7602 18.3474 179.5843 172 R 3.9265 7.9056 117.1062 59.2784 30.0218 177.8280 173 E 4.3243 7.9722 116.5388 57.4727 29.2194 178.7855 174 I 3.8851 7.2848 120.2976 63.2904 37.3095 176.4310 175 I 3.8718 6.9609 119.9329 61.1662 37.1181 175.5864 176 V 4.3629 8.3807 126.2398 62.0332 33.4396 174.5688 177 S 5.1903 8.3892 118.1227 57.7542 65.3000 172.9310 178 A 4.7778 8.6185 125.8052 50.5902 22.5507 175.4771 179 P 4.9508 0.0000 0.0000 63.7399 32.2922 176.8507 180 T 4.7121 7.2795 106.0316 58.9450 73.1477 174.4787 181 A 3.9585 8.4532 123.6197 55.1361 18.5170 180.1468 182 K 3.9983 7.9289 117.5706 59.9070 32.6446 178.8579 183 E 4.0233 8.1053 118.6128 59.1068 29.2550 179.2364 184 L 4.0991 8.0355 120.6837 58.0492 42.1943 179.0909 185 V 3.6755 8.0089 118.2152 65.6934 31.1660 178.1851 186 K 4.0205 7.8158 117.6544 59.4051 32.2601 179.0867 187 K 4.1728 7.7610 117.4702 59.3750 31.7085 179.4511 188 L 4.1065 7.8111 118.4877 57.9460 41.6393 178.9541 189 E 3.9547 8.5520 118.6499 57.8913 29.1250 177.2310 190 E 4.3550 7.9165 121.6677 56.4636 30.1283 174.5180 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 9 Q 8.34 4.25 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 10 K 8.43 4.32 0.00 1.76 1.60 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.47 7.81 11 S 8.66 4.65 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.92 4.14 0.00 1.58 1.62 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.10 0.21 7.81 13 F 7.65 5.07 0.00 3.01 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 14 R 10.34 4.22 0.00 1.97 2.00 0.00 3.18 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 15 R 7.62 4.76 0.00 1.71 1.72 0.00 3.16 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 16 I 8.04 4.59 1.70 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.69 0.69 0.00 0.00 17 C 8.23 5.39 0.00 2.94 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 18 V 8.08 4.61 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 0.88 0.00 0.00 0.84 0.00 0.00 19 F 7.93 5.33 0.00 3.10 2.99 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 20 C 8.35 5.20 0.00 3.12 2.98 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 0.00 0.00 0.00 21 G 8.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.87 4.14 0.00 3.90 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 23 S 7.78 4.56 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.46 4.47 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 25 G 7.81 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 26 K 8.05 4.00 0.00 1.58 1.77 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.34 7.81 27 K 7.13 4.51 0.00 1.74 1.79 0.00 1.86 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.26 7.81 28 S 8.83 4.57 0.00 4.06 4.13 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 0.00 0.00 0.00 29 S 8.21 4.18 0.00 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.50 3.95 0.00 3.06 2.98 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 0.00 0.00 0.00 31 Q 8.03 4.07 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 32 D 8.48 4.44 0.00 2.83 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 33 A 7.74 4.00 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 34 A 7.91 4.00 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 35 V 7.71 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 1.01 0.00 0.00 0.95 0.00 0.00 36 D 8.45 4.38 0.00 2.69 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 37 L 8.10 4.03 0.00 1.87 1.78 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.79 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 39 N 8.27 4.40 0.00 2.87 2.87 0.00 0.00 6.66 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.02 4.08 0.00 2.26 2.08 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 2.43 2.25 0.00 41 L 7.85 3.93 0.00 1.86 1.93 0.85 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.88 3.57 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 0.93 0.00 0.00 0.93 0.00 0.00 43 S 8.29 4.48 0.00 4.09 4.20 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 44 R 7.49 4.56 0.00 1.95 2.02 0.00 3.35 0.00 0.00 3.29 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 45 N 8.37 4.25 0.00 2.83 2.92 0.00 0.00 6.83 7.42 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 46 I 8.11 4.47 1.88 0.00 0.00 1.00 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 0.63 0.96 0.00 0.00 47 D 8.36 4.78 0.00 2.65 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 48 L 8.83 4.79 0.00 1.60 1.38 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.68 4.70 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 0.83 0.00 0.00 0.93 0.00 0.00 50 Y 9.21 4.58 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.84 3.47 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 0.00 0.00 0.00 52 G 5.89 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 0.00 0.00 0.00 53 G 7.54 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 0.00 0.00 0.00 0.00 54 S 8.69 4.69 0.00 3.97 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 55 I 7.65 4.29 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 1.37 0.71 0.92 0.00 0.00 56 G 8.26 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 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9.15 4.15 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 102 R 7.54 3.88 0.00 1.93 1.99 0.00 3.29 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 103 K 8.11 4.17 0.00 1.97 1.93 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.32 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.54 7.81 104 A 8.16 4.40 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 0.00 105 E 8.08 4.21 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 *107 A 7.93 4.84 1.75 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 0.00 0.00 108 K 8.41 3.97 0.00 1.79 1.92 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.39 7.81 109 H 8.51 4.75 0.00 3.22 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.57 4.81 0.00 3.66 3.73 0.00 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0.00 0.00 0.00 0.00 0.00 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 L 9.04 5.09 0.00 1.52 1.50 0.70 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.94 4.58 0.00 1.63 1.63 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 146 N 9.24 4.77 0.00 2.91 2.77 0.00 0.00 6.73 8.08 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 0.00 147 V 8.09 3.81 1.06 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 0.34 0.00 0.00 0.69 0.00 0.00 148 D 9.62 4.46 0.00 2.86 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 0.00 149 G 7.97 4.38 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 0.00 150 Y 8.06 4.10 0.00 2.90 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 0.00 151 Y 7.82 4.49 0.00 3.13 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 0.00 152 N 8.26 4.32 0.00 2.89 2.92 0.00 0.00 6.98 8.38 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 0.00 153 S 8.03 4.24 0.00 3.83 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 0.00 154 L 7.82 4.07 0.00 1.91 2.01 1.04 0.71 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 0.00 155 L 8.44 4.09 0.00 1.92 1.74 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.25 4.47 0.00 4.06 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 0.00 157 F 8.67 4.19 0.00 3.13 3.28 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 0.00 158 I 7.83 3.33 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.11 0.87 0.00 0.00 159 D 8.03 4.36 0.00 2.89 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 0.00 160 K 7.88 3.98 0.00 1.85 1.87 0.00 1.52 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.46 7.81 161 A 7.86 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.13 4.21 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 1.27 0.00 0.00 1.00 0.00 0.00 163 E 7.87 3.96 0.00 2.01 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 0.00 2.31 2.33 0.00 164 E 8.22 4.39 0.00 2.26 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 2.54 2.59 0.00 165 G 7.77 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.75 0.00 3.16 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 0.00 167 I 7.89 4.52 1.98 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 1.39 0.92 0.91 0.00 0.00 168 S 8.68 4.21 0.00 3.99 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 0.00 169 P 0.00 4.24 0.00 2.03 2.17 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 170 T 8.11 4.54 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 1.22 0.00 0.00 171 A 8.43 4.09 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 0.00 172 R 7.91 3.93 0.00 1.90 2.09 0.00 3.20 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 173 E 7.97 4.32 0.00 2.25 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 2.33 2.49 0.00 174 I 7.28 3.89 1.96 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 1.55 0.54 0.95 0.00 0.00 175 I 6.96 3.87 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.46 0.87 0.00 0.00 176 V 8.38 4.36 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 0.94 0.00 0.00 1.00 0.00 0.00 177 S 8.39 5.19 0.00 3.89 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 0.00 178 A 8.62 4.78 1.24 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 0.00 0.00 0.00 179 P 0.00 4.95 0.00 2.19 2.19 0.00 3.33 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 180 T 7.28 4.71 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 1.23 0.00 0.00 181 A 8.45 3.96 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 0.00 182 K 7.93 4.00 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.76 7.81 183 E 8.11 4.02 0.00 2.21 2.00 0.00 0.00 0.00 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 2.33 0.00 184 L 8.04 4.10 0.00 1.84 1.79 1.00 0.71 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 0.00 185 V 8.01 3.68 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 1.16 0.00 0.00 1.02 0.00 0.00 186 K 7.82 4.02 0.00 1.83 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.72 7.81 187 K 7.76 4.17 0.00 2.05 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 188 L 7.81 4.11 0.00 1.90 1.79 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.55 3.95 0.00 2.19 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 2.78 2.59 0.00 190 E 7.92 4.35 0.00 2.05 2.28 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 2.22 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.