NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 3.9331 8.4449 121.4439 55.8863 31.4234 175.9997 4 H 4.6516 7.9702 113.7478 54.5104 29.7185 171.4616 5 E 3.9561 8.9197 121.8576 57.3090 30.5772 175.8503 6 R 5.2484 8.5583 124.2886 54.9533 33.6069 174.9027 7 T 4.7485 8.5800 114.1560 60.6492 71.7050 172.1163 8 F 5.1874 8.8199 128.9850 57.2811 41.2635 174.4878 9 V 4.6609 7.9451 125.2618 61.2033 35.1692 173.8955 10 M 5.6441 8.8723 123.2973 53.1249 35.3395 174.2702 11 V 4.2995 8.5728 121.8304 62.0859 32.6123 175.5255 12 K 4.5439 8.7444 128.2517 55.7814 33.1523 176.7629 13 P 4.5745 0.0000 0.0000 64.7649 31.1317 178.8590 14 D 4.6173 8.4186 118.4754 56.4974 39.5034 178.7114 15 G 3.6563 8.1815 106.9235 47.2861 0.0000 175.7140 16 V 3.7109 8.2384 120.8788 66.0344 31.3671 178.2300 17 Q 4.1811 8.0181 116.6946 58.8226 28.6879 178.1083 18 R 4.2974 7.7353 115.5822 55.8654 30.7554 176.3338 19 G 3.6999 7.8502 105.2301 47.0713 0.0000 174.2754 20 L 4.6288 7.4609 116.1868 54.1304 43.0364 179.2118 21 I 3.7784 7.8464 121.7435 64.3690 36.9854 178.1885 22 G 3.6500 7.9686 105.9857 48.1040 0.0000 175.1610 23 D 4.3542 7.9590 121.0429 57.0160 40.7852 178.9386 24 I 3.5866 7.7255 120.3256 64.2269 37.1891 178.6111 25 V 3.9689 8.2577 119.5340 66.0733 31.3018 177.9804 26 S 4.1513 8.2875 115.0980 61.9510 62.5334 176.8757 27 R 3.6996 7.3470 118.4136 59.2949 30.0678 178.9687 28 F 4.2490 7.2518 117.1103 60.3547 38.6802 177.6618 29 E 4.3788 8.6508 117.7274 59.7729 29.2673 178.5088 30 D 4.3688 8.6372 119.8801 57.4040 40.9838 178.8787 31 R 4.0731 7.5894 117.1326 57.5795 30.1842 177.3170 32 G 3.9996 8.1393 106.4094 44.8229 0.0000 173.5001 33 L 4.3777 7.6128 119.3495 54.5576 42.7684 176.1535 34 K 4.8220 8.9623 124.7419 54.8527 34.1319 174.9343 35 M 3.7694 8.5502 125.4359 54.8846 31.8475 176.4017 36 V 4.6089 8.9585 113.4241 60.5355 34.8004 175.3281 37 G 3.8273 7.2220 107.1570 44.2076 0.0000 172.3033 38 G 4.3031 8.2975 103.6231 45.1536 0.0000 172.7071 39 K 4.9242 8.5077 126.4862 54.5231 36.1320 175.2232 40 F 5.4303 9.2690 126.8083 57.9385 40.3642 174.2228 41 M 4.6609 8.2887 122.0990 54.3614 35.1589 173.1137 42 Q 4.6596 8.2675 121.0710 54.2265 30.2919 175.2991 43 I 3.7711 8.2725 128.4811 61.1733 37.9709 176.4437 44 D 4.5942 8.3716 125.0467 52.6925 41.6638 177.2108 45 Q 3.9547 8.5977 119.8429 59.5106 28.6689 179.2791 46 E 3.9091 8.0982 119.3310 59.1558 29.6244 178.4428 47 L 3.7351 7.9619 119.7915 57.9044 42.2538 178.5313 48 A 3.9347 7.8879 120.7173 55.4654 18.0850 179.3128 49 E 4.2207 7.8988 115.4567 59.8143 29.7792 179.0693 50 E 4.1106 8.0605 118.9339 59.3691 29.5063 178.1439 51 H 4.0915 8.1909 117.5817 58.8161 30.0927 175.8824 52 Y 5.0619 7.7811 117.2582 57.6243 39.2012 177.9961 53 G 3.9001 8.2610 112.6601 48.8739 0.0000 176.5522 54 E 4.0141 8.2277 116.2633 58.5385 30.0196 177.1408 55 H 4.8793 8.3358 116.3451 55.4366 28.9810 175.7086 56 E 2.5400 7.6888 117.0548 57.2529 29.2603 176.9803 57 D 4.7949 7.5503 119.0461 53.9794 42.0953 175.4173 58 K 4.5683 7.4417 117.9767 53.4283 34.6124 175.6490 59 P 4.2560 0.0000 0.0000 65.6675 31.1597 177.0229 60 F 4.6725 7.6405 111.4421 56.8172 38.9123 177.0154 61 F 3.9480 7.9774 124.8265 61.7224 39.0904 176.4686 62 D 4.3883 8.2930 117.9677 57.4545 40.6211 179.0090 63 G 3.6484 8.0435 105.6228 47.4972 0.0000 175.1835 64 L 3.9456 7.9042 122.8112 57.9630 41.8445 179.2384 65 V 3.5413 7.4459 116.8802 66.0398 31.7231 177.1961 66 D 4.5300 8.5110 118.8438 57.5031 40.7621 178.6128 67 F 4.3686 8.5282 121.1289 61.4720 39.2769 176.4729 68 I 3.5139 7.4327 114.0998 62.3077 37.7500 176.3872 69 T 4.4584 7.6098 114.5042 64.3067 69.6520 175.6980 70 S 4.3883 7.9344 115.4187 59.1578 63.5088 173.5284 71 G 3.9854 6.5904 110.2749 43.9606 0.0000 171.1599 72 P 4.4626 0.0000 0.0000 62.7430 32.9172 175.5611 73 V 4.6045 8.5823 113.8569 59.5768 36.3492 174.4158 74 F 5.3654 8.7683 122.7617 56.5223 41.2275 173.5831 75 A 4.4886 8.5520 128.9008 51.8266 19.7653 176.0339 76 M 4.9991 9.0080 120.6387 53.4498 37.3700 174.5120 77 V 4.6779 7.9740 120.2772 60.9781 34.7338 174.1592 78 W 5.1102 8.9263 127.7869 54.7879 32.0574 174.2758 79 E 5.1535 9.2525 125.5854 54.1680 31.8518 175.0615 80 G 4.3040 8.7019 113.6507 45.7984 0.0000 172.1788 81 Q 4.1982 8.6246 121.8144 57.2262 29.3679 175.5518 82 D 4.4825 8.9546 124.0389 54.7563 40.1848 175.1334 83 A 4.0275 7.8645 120.5771 55.3950 18.3937 180.0984 84 T 3.8718 8.3313 113.9975 66.6006 68.5411 177.2022 85 R 3.5512 7.8138 120.0532 59.4873 30.2818 178.2304 86 Q 3.9891 8.3184 118.2370 59.1014 28.7203 179.2720 87 V 3.6920 7.8865 119.0841 65.8681 31.0385 178.0567 88 R 3.8867 7.8374 118.1963 59.8676 29.7770 178.3521 89 T 3.9309 7.9836 114.5165 67.3033 68.7454 176.0642 90 M 4.2040 8.0896 120.2632 58.5494 31.9903 178.6269 91 M 4.2031 8.2653 118.8711 57.9707 32.3423 176.4565 92 G 3.9769 7.8326 103.1825 43.8896 0.0000 172.3687 93 E 4.2133 7.8438 119.7153 55.9381 30.4441 177.9641 94 T 4.0108 8.6518 122.5013 66.7644 68.8722 173.7945 95 D 4.5795 8.0058 121.5417 52.7596 41.9091 174.9729 96 P 4.2124 0.0000 0.0000 65.6514 31.5138 177.7535 97 A 4.3339 8.0071 117.8174 53.2578 18.2268 177.3237 98 E 4.6499 8.1201 113.7482 55.7407 30.9916 175.8522 99 S 4.6316 7.6008 115.0802 56.7170 64.4061 174.2052 100 A 4.1976 8.2079 126.7347 51.0998 18.9777 175.4537 101 P 4.3666 0.0000 0.0000 63.8894 32.0650 175.5278 102 G 4.1004 9.7794 111.2783 46.4391 0.0000 175.3421 103 T 4.3100 7.4392 109.8633 60.9565 71.1122 175.8886 104 I 3.6726 8.0935 122.7482 64.6834 37.0534 179.1899 105 R 4.1496 8.1919 119.1211 59.0773 29.7387 179.2519 106 G 3.5518 7.8919 103.8920 46.9617 0.0000 174.5230 107 D 4.5202 7.4878 119.4647 54.8525 41.7046 176.7342 108 Y 4.9252 7.8291 114.3563 57.3139 40.3875 175.6961 109 G 4.3606 8.2106 107.4785 43.6232 0.0000 172.7217 110 L 4.6502 8.4340 117.7493 54.1520 44.6058 176.7246 111 D 4.8706 7.6787 117.1033 51.6735 44.0099 175.4626 112 L 3.9390 9.0026 128.5702 58.4088 42.0225 178.6865 113 G 3.5692 8.1612 105.3537 47.7033 0.0000 174.2936 114 R 4.3251 7.4032 119.9894 54.7173 29.0509 175.5158 115 N 4.7904 7.8879 113.1261 52.0958 38.4400 179.2264 116 V 4.3125 8.2838 113.2650 62.6528 31.6404 171.9763 117 I 5.1115 8.3508 117.5771 59.7830 41.3921 173.5653 118 H 5.1173 9.9450 127.9180 54.4785 33.0267 172.6168 119 G 4.3590 8.1090 110.2376 44.3022 0.0000 172.4921 120 S 4.4414 8.6580 119.8891 58.7541 64.6561 173.4998 121 D 4.7862 8.8024 123.5743 53.5409 41.0541 176.7591 122 H 4.3792 8.9534 123.0864 58.0014 28.7634 176.0120 123 E 4.2183 8.4778 118.6483 56.9690 29.9696 176.5884 124 D 4.5938 7.5554 120.2357 51.3195 39.7790 172.6195 125 E 3.8863 8.2860 121.2700 57.3673 29.9480 177.4861 126 G 3.9553 9.1355 113.7333 45.8770 0.0000 174.5402 127 A 4.0291 8.6302 123.1100 54.9306 18.1387 179.4184 128 N 4.5668 8.1101 116.6310 55.7885 37.4119 176.8298 129 E 3.9363 8.2342 121.2790 58.6717 29.7416 179.0552 130 R 3.9039 8.2240 118.7020 59.9530 29.6163 178.3016 131 E 4.1402 8.4008 117.4298 59.0133 29.4179 178.7670 132 I 3.8764 8.1895 120.8065 64.0380 36.9238 177.7522 133 E 3.9382 8.2835 119.6040 59.8659 29.5878 179.3945 134 L 3.9264 7.6845 118.4350 57.6103 42.2351 178.1617 135 F 4.2211 7.7636 114.5596 56.6359 40.2096 175.9734 136 F 5.0319 7.8967 116.1507 55.5526 42.4094 174.3610 137 D 4.8369 8.6126 123.4751 53.1782 42.0231 177.6653 138 E 3.9603 8.8137 121.1867 59.5073 29.5627 178.5751 139 D 4.6893 7.9969 115.2349 54.0405 40.0047 176.5844 140 E 4.3526 8.3343 119.2974 57.2113 30.0817 175.9371 141 L 4.8710 7.4309 119.4830 53.0096 43.6833 176.0988 142 V 4.2768 8.3386 123.3857 61.1721 32.9420 174.6962 143 D 4.8326 8.8742 129.0077 53.6660 41.4487 175.0646 144 W 5.2409 8.5218 121.8026 55.5299 31.2020 173.3291 145 D 4.6128 8.7407 117.9657 52.3962 42.7575 175.6265 146 Q 4.5126 7.8020 125.0734 54.6423 30.0665 176.3643 147 I 3.8494 8.5057 124.8871 64.7014 37.0137 178.3687 148 D 4.2209 8.1771 119.3787 57.1365 40.5366 178.1598 149 S 4.0657 8.0128 113.9340 61.7306 62.0978 176.2953 150 S 4.0471 7.5417 113.7844 60.2322 62.0760 175.0370 151 W 4.6358 8.1498 118.9982 56.5361 30.6267 177.2958 152 L 3.9459 7.8090 118.3975 55.8240 41.4868 176.4581 153 Y 4.7767 6.7757 116.5518 56.6034 40.9391 176.1716 *154 E 4.1409 8.7746 117.0835 56.3035 30.5317 176.3130 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 E 8.44 3.93 0.00 1.64 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 4 H 7.97 4.65 0.00 3.09 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.92 3.96 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 6 R 8.56 5.25 0.00 1.70 1.77 0.00 3.20 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 7 T 8.58 4.75 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 1.27 0.00 0.00 8 F 8.82 5.19 0.00 3.21 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 9 V 7.95 4.66 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.68 0.00 0.00 10 M 8.87 5.64 0.00 1.48 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.19 0.00 11 V 8.57 4.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.20 0.00 0.00 12 K 8.74 4.54 0.00 2.13 1.79 0.00 2.07 0.00 0.00 1.98 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.56 1.56 7.81 13 P 0.00 4.57 0.00 2.01 2.01 0.00 3.21 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 14 D 8.42 4.62 0.00 2.99 3.21 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 0.00 15 G 8.18 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 16 V 8.24 3.71 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 1.26 0.00 0.00 1.20 0.00 0.00 17 Q 8.02 4.18 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 18 R 7.74 4.30 0.00 1.80 1.95 0.00 3.22 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 19 G 7.85 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 20 L 7.46 4.63 0.00 1.61 1.33 0.66 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.85 3.78 1.71 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 1.58 0.69 0.44 0.00 0.00 22 G 7.97 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 23 D 7.96 4.35 0.00 2.61 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 24 I 7.73 3.59 2.11 0.00 0.00 0.89 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 1.23 1.01 0.00 0.00 25 V 8.26 3.97 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 1.45 0.00 0.00 1.40 0.00 0.00 26 S 8.29 4.15 0.00 4.12 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 R 7.35 3.70 0.00 1.45 1.64 0.00 3.27 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 28 F 7.25 4.25 0.00 2.04 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 29 E 8.65 4.38 0.00 2.36 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 2.73 2.53 0.00 30 D 8.64 4.37 0.00 2.84 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 31 R 7.59 4.07 0.00 1.97 2.19 0.00 3.28 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 32 G 8.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.38 0.00 1.75 1.92 0.83 0.91 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 34 K 8.96 4.82 0.00 1.72 1.74 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.62 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.10 1.00 7.81 35 M 8.55 3.77 0.00 0.78 0.57 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 36 V 8.96 4.61 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 0.82 0.00 0.00 0.86 0.00 0.00 37 G 7.22 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 0.00 0.00 0.00 0.00 38 G 8.30 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 0.00 0.00 0.00 0.00 39 K 8.51 4.92 0.00 1.85 1.96 0.00 1.17 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.99 1.29 7.81 40 F 9.27 5.43 0.00 3.28 3.14 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 41 M 8.29 4.66 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 42 Q 8.27 4.66 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 43 I 8.27 3.77 1.94 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 1.45 1.11 0.85 0.00 0.00 44 D 8.37 4.59 0.00 2.90 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 45 Q 8.60 3.95 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 46 E 8.10 3.91 0.00 2.00 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 2.33 2.35 0.00 47 L 7.96 3.74 0.00 1.94 1.63 0.44 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.89 3.93 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 49 E 7.90 4.22 0.00 2.15 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 2.70 2.53 0.00 50 E 8.06 4.11 0.00 1.96 1.85 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 2.28 2.28 0.00 51 H 8.19 4.09 0.00 2.97 3.04 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.78 5.06 0.00 3.28 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 53 G 8.26 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 0.00 0.00 0.00 54 E 8.23 4.01 0.00 2.08 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 1.95 2.23 0.00 55 H 8.34 4.88 0.00 3.43 3.16 0.00 5.64 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 56 E 7.69 2.54 0.00 1.17 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 2.13 2.01 0.00 57 D 7.55 4.79 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.44 4.57 0.00 1.10 1.19 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.26 1.17 7.81 59 P 0.00 4.26 0.00 2.27 2.25 0.00 3.74 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 2.17 2.05 0.00 60 F 7.64 4.67 0.00 3.25 3.32 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 61 F 7.98 3.95 0.00 3.10 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 62 D 8.29 4.39 0.00 2.80 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 63 G 8.04 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 64 L 7.90 3.95 0.00 1.94 1.51 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.45 3.54 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 0.82 0.00 0.00 0.29 0.00 0.00 66 D 8.51 4.53 0.00 2.96 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 67 F 8.53 4.37 0.00 3.06 3.19 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 0.00 0.00 0.00 68 I 7.43 3.51 2.02 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 1.58 0.73 1.12 0.00 0.00 69 T 7.61 4.46 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 1.19 0.00 0.00 70 S 7.93 4.39 0.00 4.11 4.19 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 0.00 0.00 0.00 71 G 6.59 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 0.00 0.00 0.00 72 P 0.00 4.46 0.00 1.25 1.88 0.00 3.65 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 2.13 2.12 0.00 73 V 8.58 4.60 2.17 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 0.69 0.00 0.00 0.91 0.00 0.00 74 F 8.77 5.37 0.00 3.26 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 75 A 8.55 4.49 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 76 M 9.01 5.00 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 77 V 7.97 4.68 1.70 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 0.73 0.00 0.00 0.26 0.00 0.00 78 W 8.93 5.11 0.00 3.06 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 79 E 9.25 5.15 0.00 1.93 1.72 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 2.12 2.41 0.00 80 G 8.70 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 0.00 0.00 0.00 0.00 81 Q 8.62 4.20 0.00 1.85 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 82 D 8.95 4.48 0.00 2.94 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 83 A 7.86 4.03 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 84 T 8.33 3.87 4.29 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 1.31 0.00 0.00 85 R 7.81 3.55 0.00 1.74 2.12 0.00 3.15 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 1.60 1.42 0.00 86 Q 8.32 3.99 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 87 V 7.89 3.69 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 0.96 0.00 0.00 0.70 0.00 0.00 88 R 7.84 3.89 0.00 2.22 2.03 0.00 3.27 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 89 T 7.98 3.93 4.41 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 1.21 0.00 0.00 90 M 8.09 4.20 0.00 2.05 2.40 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 91 M 8.27 4.20 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.67 0.00 92 G 7.83 3.98 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 0.00 0.00 0.00 93 E 7.84 4.21 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 94 T 8.65 4.01 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 1.25 0.00 0.00 95 D 8.01 4.58 0.00 2.67 2.54 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 96 P 0.00 4.21 0.00 2.22 2.26 0.00 3.71 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 97 A 8.01 4.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.12 4.65 0.00 1.93 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 2.22 2.37 0.00 99 S 7.60 4.63 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.21 4.20 1.23 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 0.00 0.00 0.00 101 P 0.00 4.37 0.00 2.00 1.93 0.00 3.61 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 1.99 2.04 0.00 102 G 9.78 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 0.00 0.00 0.00 103 T 7.44 4.31 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 1.23 0.00 0.00 104 I 8.09 3.67 1.89 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 1.07 0.00 0.00 105 R 8.19 4.15 0.00 1.94 2.00 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 106 G 7.89 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 0.00 107 D 7.49 4.52 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.83 4.93 0.00 3.12 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 0.00 109 G 8.21 4.36 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 0.00 110 L 8.43 4.65 0.00 1.58 1.67 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.68 4.87 0.00 2.66 2.41 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 0.00 112 L 9.00 3.94 0.00 1.91 1.67 0.90 0.97 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 0.00 113 G 8.16 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 0.00 114 R 7.40 4.33 0.00 1.75 2.00 0.00 2.98 0.00 0.00 2.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.00 115 N 7.89 4.79 0.00 2.92 3.19 0.00 0.00 6.11 7.68 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 0.00 116 V 8.28 4.31 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 0.95 0.00 0.00 1.04 0.00 0.00 117 I 8.35 5.11 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.98 1.00 0.00 0.00 118 H 9.95 5.12 0.00 3.36 3.15 0.00 5.80 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 0.00 119 G 8.11 4.36 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 0.00 120 S 8.66 4.44 0.00 3.90 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 0.00 121 D 8.80 4.79 0.00 2.75 2.62 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 0.00 122 H 8.95 4.38 0.00 3.34 3.43 0.00 5.57 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 0.00 123 E 8.48 4.22 0.00 2.03 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 2.26 1.95 0.00 124 D 7.56 4.59 0.00 2.74 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 0.00 125 E 8.29 3.89 0.00 1.97 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 2.32 2.37 0.00 126 G 9.14 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 0.00 0.00 0.00 127 A 8.63 4.03 1.47 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 0.00 128 N 8.11 4.57 0.00 3.16 3.15 0.00 0.00 6.72 7.66 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 0.00 129 E 8.23 3.94 0.00 2.22 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 2.42 2.41 0.00 130 R 8.22 3.90 0.00 2.03 2.20 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 131 E 8.40 4.14 0.00 2.29 1.82 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 2.45 2.43 0.00 132 I 8.19 3.88 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.88 0.93 0.00 0.00 133 E 8.28 3.94 0.00 2.16 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 2.50 0.00 134 L 7.68 3.93 0.00 1.79 1.76 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.76 4.22 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 5.03 0.00 3.14 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 0.00 137 D 8.61 4.84 0.00 2.73 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 0.00 138 E 8.81 3.96 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 139 D 8.00 4.69 0.00 2.80 2.79 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 0.00 140 E 8.33 4.35 0.00 2.38 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 2.38 2.34 0.00 141 L 7.43 4.87 0.00 1.45 1.52 0.84 0.44 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 0.00 142 V 8.34 4.28 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 0.70 0.00 0.00 0.87 0.00 0.00 143 D 8.87 4.83 0.00 2.77 2.63 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 0.00 144 W 8.52 5.24 0.00 3.56 2.94 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 0.00 145 D 8.74 4.61 0.00 2.69 2.59 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 0.00 0.00 0.00 146 Q 7.80 4.51 0.00 1.19 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 147 I 8.51 3.85 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.05 1.01 0.00 0.00 148 D 8.18 4.22 0.00 2.71 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 0.00 149 S 8.01 4.07 0.00 3.98 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 0.00 150 S 7.54 4.05 0.00 3.76 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.15 4.64 0.00 3.19 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.81 3.95 0.00 1.08 0.27 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 6.78 4.78 0.00 2.91 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 *154 E 8.77 4.14 0.00 1.76 1.78 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 2.12 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.