NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5169 8.3049 120.3084 54.0538 33.3591 175.2353 2 L 3.9624 7.0534 127.9896 53.8937 47.3364 173.4867 3 T 4.0171 9.1909 123.3267 62.9484 68.8819 174.5242 4 A 4.2840 8.2992 125.8421 53.0094 19.1218 179.0141 5 E 4.0615 7.9667 115.9052 57.5490 29.4182 175.5016 6 E 4.4330 7.2119 116.4665 55.8355 32.5807 178.9185 7 K 4.5026 7.4146 120.7234 59.3074 33.0741 177.0522 8 A 3.8782 7.9179 120.7946 55.7276 18.0668 179.0279 9 A 3.8511 8.0946 114.6999 56.4468 18.6179 180.1809 10 V 3.8639 7.6010 108.9523 64.0213 31.7296 178.9550 11 T 4.1157 7.8169 115.4560 66.3463 68.5053 176.4558 12 G 3.7871 7.6331 105.3432 47.7075 0.0000 175.8251 13 F 4.0898 8.5567 123.0367 60.2050 39.9112 175.9147 14 W 4.5865 9.5471 129.4111 59.4825 29.9819 179.9813 15 G 3.6628 7.3448 108.2909 47.7900 0.0000 175.5064 16 K 3.8292 8.1107 121.6598 56.9658 32.4212 176.5370 17 V 3.7097 7.5185 117.4759 64.1398 31.4542 175.7265 18 D 4.4318 9.0912 131.1336 60.3807 41.0597 181.0719 19 V 2.9063 6.9622 118.6539 64.1820 35.1518 176.5048 20 D 4.6044 7.3925 122.1769 51.7915 37.9933 175.5135 21 V 3.6612 7.8294 120.0781 63.7302 31.0140 171.8558 22 V 3.8256 7.9461 120.8496 64.3529 31.6651 177.6669 23 G 4.3209 8.7125 106.4409 44.7294 0.0000 175.4483 24 A 3.9892 8.0202 123.2946 55.6041 18.2826 179.0826 25 Q 3.9403 8.1182 116.0006 59.0841 28.6008 178.2732 26 A 3.9549 8.0563 122.8717 54.1048 18.6047 179.4856 27 L 4.0163 8.0387 118.8719 58.3835 42.0998 178.5321 28 G 3.5411 8.0670 99.5601 49.2324 0.0000 174.7167 29 R 3.9685 7.9061 120.8141 58.4219 30.7303 178.2997 30 L 4.1262 7.5987 119.9095 59.2648 41.7772 178.2434 31 L 3.9414 7.4820 114.6221 56.4052 41.9110 177.8754 32 V 4.0425 7.5893 129.9559 61.2536 31.3975 176.8042 33 V 4.5751 7.0321 135.0000 64.4880 31.4190 172.0155 34 Y 3.6152 6.5735 117.8719 55.4317 37.0131 175.4904 35 P 4.1561 0.0000 0.0000 65.1043 32.2556 178.4423 36 W 4.5360 7.8638 114.7113 59.1843 28.8277 177.6738 37 T 4.0647 7.3329 109.4879 64.3672 68.0694 175.2258 38 Q 4.5285 8.2185 120.3163 56.7704 28.0372 175.8629 39 R 4.2867 8.7617 117.8417 57.7248 31.4282 178.5708 40 F 3.8818 8.1191 114.5558 59.2106 39.3371 175.6055 41 F 4.5747 7.7931 119.5180 55.6931 39.6912 174.6630 42 Q 4.3494 8.3747 120.6886 56.1022 29.6182 175.3829 43 H 4.8421 9.4773 121.3586 56.1742 28.2540 174.6531 44 F 5.0361 7.2931 113.3862 56.2576 43.5113 176.8353 45 G 3.9660 8.7937 119.7203 46.7707 0.0000 174.2684 46 N 4.5569 9.6063 117.0274 53.7994 38.0311 174.6737 47 L 4.6964 7.6326 113.8382 54.7614 42.9163 177.3266 48 S 4.7611 8.0142 110.8309 57.6939 62.8541 173.1429 49 S 4.6015 7.5555 110.8368 55.3551 65.8021 174.3032 50 A 4.1463 8.6532 126.1643 55.1078 18.3874 179.5011 51 G 3.6776 8.3468 102.9461 48.9794 0.0000 175.1431 52 A 3.5542 8.0091 118.2597 54.7869 18.4927 179.2348 53 V 3.6777 8.3197 120.6902 64.6546 31.7267 178.4651 54 M 4.0492 7.5658 117.1887 58.4729 32.1899 177.7375 55 N 4.4288 7.6993 115.1680 56.3823 39.7176 175.4461 56 N 3.6143 9.2076 121.4721 59.6886 39.4626 175.5768 57 P 3.6587 0.0000 0.0000 65.0109 34.6580 177.5109 58 K 3.8372 8.0713 122.9193 59.2163 31.9070 179.3435 59 V 2.6580 6.9918 110.6629 64.5303 31.8654 177.6304 60 K 3.4134 8.1706 114.1282 59.2513 31.2159 177.8961 61 A 3.9220 8.1581 120.0440 55.9103 18.9613 178.5686 62 H 4.1783 8.8064 117.1873 60.0607 29.8610 177.5129 63 G 3.8669 8.5257 107.2871 47.8053 0.0000 174.2284 64 K 4.3100 8.2461 121.0029 58.6539 32.0537 178.5116 65 R 4.1979 7.6033 124.1335 59.2696 30.7028 179.6702 66 V 4.0976 8.1691 117.1932 61.1556 31.5177 176.0631 67 L 4.3476 7.8880 123.7589 56.5578 46.1536 172.8552 68 D 5.3661 9.2946 110.9734 51.9885 41.0577 174.3509 69 A 4.1084 8.3086 123.8002 52.6299 16.4356 179.2608 70 F 4.9682 8.3484 118.1591 61.0096 40.9462 175.6831 71 T 3.7913 7.8504 115.3558 59.0715 65.7281 174.6059 72 Q 5.4307 7.0642 128.5237 56.3577 31.1018 174.3129 73 G 3.7202 7.0385 105.4109 45.7524 0.0000 179.4543 74 L 4.1817 7.0066 125.6721 55.1205 43.2186 177.1458 75 K 4.2993 8.0732 118.2519 57.1600 30.7664 177.8191 76 H 3.7753 9.6866 119.5038 58.6470 27.2857 174.5086 77 L 3.4412 10.2091 123.8044 56.2298 40.6813 173.0853 78 D 4.5568 8.0783 112.4512 52.6283 40.9696 172.2586 79 D 4.4400 8.5299 120.5009 54.8436 41.2287 175.0488 80 L 4.5025 7.9410 131.9415 55.1648 43.2438 179.7251 81 K 4.0149 8.3693 114.5095 58.5364 27.7875 174.2679 82 G 4.1031 7.1457 124.6612 46.2318 0.0000 173.0654 83 A 4.1194 7.8446 125.9150 52.4115 18.8361 178.5237 84 F 4.0921 9.7723 115.3091 60.4074 39.0236 181.7637 85 A 3.1971 6.8255 119.4692 50.2291 20.7837 177.9536 86 Q 5.4005 6.7730 124.1523 56.1355 28.3814 175.3253 87 L 4.2470 7.9539 120.1136 57.1046 42.9789 180.0016 88 S 4.2692 8.2886 113.7816 62.3965 62.5097 176.1067 89 G 4.0726 8.0004 104.6499 48.4090 0.0000 174.8732 90 L 3.9132 7.9947 120.9342 57.9052 42.6428 179.2193 91 H 4.0404 8.2546 115.1325 59.2928 28.6273 177.2283 92 C 4.3213 7.5859 120.1977 61.0225 31.3035 174.0440 93 N 3.5478 8.3971 111.4981 56.5152 38.1456 174.5967 94 K 4.5383 6.3621 119.3800 56.2213 35.2073 177.7298 95 L 3.8101 7.4529 122.1165 54.3448 41.5975 176.4391 96 H 4.9475 8.5656 112.7885 57.8246 25.3411 174.9966 97 V 3.3974 7.1797 120.5163 62.0298 32.9539 174.9766 98 N 4.4779 7.9104 122.0770 52.0666 39.6930 174.1467 99 P 3.8235 0.0000 0.0000 63.9481 31.6617 178.2733 100 Q 3.9996 7.4385 119.8308 59.0955 29.0189 177.1984 101 N 4.5000 7.7062 116.4798 55.3933 38.6307 177.2227 102 F 4.3708 7.5029 119.5424 60.8745 39.6142 177.5337 103 R 4.0739 7.7539 116.0024 59.4592 29.8844 178.1761 104 L 3.8025 7.9052 118.5752 57.4434 41.4187 179.6063 105 L 3.8911 7.4285 118.5798 58.2182 42.5246 179.4236 106 G 4.1308 8.3909 105.6881 48.1220 0.0000 175.1783 107 N 4.4332 7.6568 116.4301 56.0835 38.9317 177.4261 108 V 3.7494 8.3527 120.3307 65.8963 31.5846 177.5022 109 L 3.8674 8.3133 120.3073 58.4651 41.8197 178.9896 110 A 3.7348 7.7587 119.6448 54.8369 18.0002 179.5684 111 L 3.9657 7.7831 117.1959 58.5385 41.8481 178.8553 112 V 3.4158 7.9984 110.9784 65.5336 30.9255 178.5079 113 V 3.7135 7.7863 113.1306 64.4062 31.9125 178.5120 114 A 3.6742 7.2779 120.4094 54.3235 17.8725 178.9964 115 R 4.2704 7.6055 114.1348 57.6926 32.5204 176.1471 116 N 4.3399 8.2170 114.5952 56.5619 38.7880 176.4310 117 F 4.4629 8.0619 115.4669 59.8205 40.8318 179.8218 118 G 4.1858 8.9861 106.6145 46.8417 0.0000 174.3294 119 G 4.0357 9.3327 107.3161 46.6461 0.0000 174.4428 120 Q 4.4580 8.2377 118.9043 57.7341 29.9938 176.6018 121 F 4.3793 7.6552 119.8398 54.8132 37.8311 174.2339 122 T 3.6872 7.9868 113.0126 59.5280 68.4990 172.1278 123 P 4.2669 0.0000 0.0000 65.8125 31.1726 178.5610 124 N 4.2582 7.9598 116.0279 56.1539 38.4600 177.4453 125 V 3.4773 10.8374 118.1268 65.9966 31.8848 176.7123 126 Q 2.5200 7.8246 118.5663 59.1916 28.3350 179.4386 127 A 3.5723 8.5700 120.1289 54.6025 20.1562 179.3310 128 L 3.8433 8.1323 116.3722 57.4927 42.2438 179.7200 129 F 4.1905 8.3116 117.8817 60.4178 39.0502 177.3209 130 Q 4.0678 8.3540 117.4132 59.2990 28.4888 179.4562 131 K 3.8168 7.5545 118.5043 59.8805 32.1302 179.0409 132 V 3.2583 7.2354 116.7294 66.6614 31.0774 178.5202 133 V 3.6762 8.5449 118.0467 64.8395 31.6523 178.0794 134 A 4.0080 7.9467 122.1044 54.9253 17.8352 179.6330 135 G 3.4224 8.3983 104.2782 48.3175 0.0000 175.7359 136 V 3.2337 8.6812 121.8561 65.0650 31.4323 179.2475 137 A 3.9769 7.3835 120.1367 54.4192 19.1984 178.9468 138 N 4.3675 8.2514 114.9888 56.3292 38.8999 177.5400 139 A 3.9991 8.8741 122.7779 55.3075 18.0801 179.5859 140 L 3.9170 7.0747 115.3399 56.5395 41.5593 178.2783 141 A 4.1355 7.3191 118.2034 51.8697 19.5059 176.7982 142 H 4.2265 7.9146 117.9386 59.0345 30.2538 177.3921 143 K 4.3883 8.1090 116.5913 56.6730 31.2662 176.6313 144 Y 4.8216 8.0879 117.6869 57.5651 39.7637 175.1969 145 H 4.4799 8.7590 119.3855 55.7200 30.3280 174.6847 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 1 M 8.30 4.52 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.44 0.00 2 L 7.05 3.96 0.00 1.70 1.26 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 T 9.19 4.02 4.39 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 1.40 0.00 0.00 4 A 8.30 4.28 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 5 E 7.97 4.06 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 2.28 2.26 0.00 6 E 7.21 4.43 0.00 2.10 1.66 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 2.17 2.20 0.00 7 K 7.41 4.50 0.00 1.77 1.75 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 8 A 7.92 3.88 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 9 A 8.09 3.85 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 10 V 7.60 3.86 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 0.41 0.00 0.00 0.56 0.00 0.00 11 T 7.82 4.12 4.61 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 1.24 0.00 0.00 12 G 7.63 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 0.00 0.00 0.00 13 F 8.56 4.09 0.00 3.01 3.48 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 14 W 9.55 4.59 0.00 3.51 2.91 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 15 G 7.34 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 K 8.11 3.83 0.00 1.73 1.79 0.00 1.15 0.00 0.00 2.08 0.00 0.00 2.90 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.59 1.40 7.81 17 V 7.52 3.71 1.76 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 0.30 0.00 0.00 0.93 0.00 0.00 18 D 9.09 4.43 0.00 2.66 2.52 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 19 V 6.96 2.91 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 0.89 0.00 0.00 1.23 0.00 0.00 20 D 7.39 4.60 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.83 3.66 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 0.89 0.00 0.00 0.89 0.00 0.00 22 V 7.95 3.83 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 0.67 0.00 0.00 0.94 0.00 0.00 23 G 8.71 4.32 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 0.00 24 A 8.02 3.99 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 25 Q 8.12 3.94 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 26 A 8.06 3.95 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 27 L 8.04 4.02 0.00 1.85 1.62 0.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.07 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 29 R 7.91 3.97 0.00 2.02 2.01 0.00 3.18 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 30 L 7.60 4.13 0.00 1.88 1.86 0.98 0.50 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 31 L 7.48 3.94 0.00 1.82 1.52 1.05 0.76 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 32 V 7.59 4.04 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 0.60 0.00 0.00 0.89 0.00 0.00 33 V 7.03 4.58 1.83 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 -0.02 0.00 0.00 0.45 0.00 0.00 34 Y 6.57 3.62 0.00 2.31 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 35 P 0.00 4.16 0.00 2.19 2.18 0.00 3.62 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 36 W 7.86 4.54 0.00 3.52 3.45 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 37 T 7.33 4.06 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 1.23 0.00 0.00 38 Q 8.22 4.53 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 39 R 8.76 4.29 0.00 2.13 0.91 0.00 3.19 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 40 F 8.12 3.88 0.00 2.74 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 41 F 7.79 4.57 0.00 2.96 1.51 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 0.00 42 Q 8.37 4.35 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.52 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 43 H 9.48 4.84 0.00 2.81 3.16 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.29 5.04 0.00 2.48 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 0.00 0.00 0.00 45 G 8.79 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 0.00 0.00 0.00 0.00 46 N 9.61 4.56 0.00 2.65 2.82 0.00 0.00 6.67 7.85 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 47 L 7.63 4.70 0.00 1.61 1.63 0.81 1.12 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 48 S 8.01 4.76 0.00 3.81 3.81 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 49 S 7.56 4.60 0.00 3.81 3.59 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 50 A 8.65 4.15 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.35 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 52 A 8.01 3.55 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 53 V 8.32 3.68 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 0.73 0.00 0.00 0.81 0.00 0.00 54 M 7.57 4.05 0.00 1.96 2.34 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 55 N 7.70 4.43 0.00 2.69 2.81 0.00 0.00 7.02 7.88 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 56 N 9.21 3.61 0.00 2.65 2.75 0.00 0.00 7.14 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 57 P 0.00 3.66 0.00 2.29 2.56 0.00 3.69 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 1.97 1.93 0.00 58 K 8.07 3.84 0.00 1.78 1.68 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.91 1.69 7.81 59 V 6.99 2.66 1.71 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 -0.01 0.00 0.00 0.84 0.00 0.00 60 K 8.17 3.41 0.00 1.65 1.98 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 61 A 8.16 3.92 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 62 H 8.81 4.18 0.00 3.59 3.28 0.00 5.79 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 63 G 8.53 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 0.00 0.00 0.00 64 K 8.25 4.31 0.00 1.85 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 65 R 7.60 4.20 0.00 2.03 1.98 0.00 3.50 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 66 V 8.17 4.10 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 1.32 0.00 0.00 1.04 0.00 0.00 67 L 7.89 4.35 0.00 1.97 1.65 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 68 D 9.29 5.37 0.00 2.92 3.39 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 69 A 8.31 4.11 1.58 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 70 F 8.35 4.97 0.00 3.60 2.91 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 71 T 7.85 3.79 4.86 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 2.06 0.00 0.00 72 Q 7.06 5.43 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 73 G 7.04 3.72 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 0.00 0.00 0.00 74 L 7.01 4.18 0.00 1.32 1.45 0.83 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.07 4.30 0.00 2.03 1.20 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.55 7.81 76 H 9.69 3.78 0.00 3.01 2.62 0.00 6.04 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 10.21 3.44 0.00 1.78 1.59 0.88 0.94 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 78 D 8.08 4.56 0.00 2.83 2.88 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 79 D 8.53 4.44 0.00 2.66 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 80 L 7.94 4.50 0.00 1.65 1.55 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.37 4.01 0.00 1.76 2.08 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.45 7.81 82 G 7.15 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 83 A 7.84 4.12 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 84 F 9.77 4.09 0.00 3.27 2.45 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 85 A 6.83 3.20 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 86 Q 6.77 5.40 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 87 L 7.95 4.25 0.00 1.90 1.80 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.29 4.27 0.00 4.32 3.85 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 89 G 8.00 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.99 3.91 0.00 1.81 1.94 0.90 1.20 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 91 H 8.25 4.04 0.00 3.55 3.90 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 7.59 4.32 0.00 1.23 1.64 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 93 N 8.40 3.55 0.00 2.75 2.63 0.00 0.00 6.78 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 94 K 6.36 4.54 0.00 1.82 1.81 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.46 7.81 95 L 7.45 3.81 0.00 1.49 1.55 0.74 0.81 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 96 H 8.57 4.95 0.00 3.23 3.54 0.00 5.80 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.18 3.40 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.88 0.00 0.00 98 N 7.91 4.48 0.00 2.58 2.46 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 99 P 0.00 3.82 0.00 1.88 1.92 0.00 3.45 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 100 Q 7.44 4.00 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 101 N 7.71 4.50 0.00 2.63 2.77 0.00 0.00 7.14 7.55 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 0.00 102 F 7.50 4.37 0.00 3.23 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 0.00 103 R 7.75 4.07 0.00 1.87 1.97 0.00 3.29 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.98 0.00 104 L 7.91 3.80 0.00 1.24 0.84 0.87 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.43 3.89 0.00 1.70 1.65 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.39 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 0.00 0.00 0.00 107 N 7.66 4.43 0.00 3.05 2.90 0.00 0.00 6.95 7.56 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 0.00 108 V 8.35 3.75 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 1.09 0.00 0.00 1.07 0.00 0.00 109 L 8.31 3.87 0.00 1.69 1.67 1.13 1.15 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 0.00 110 A 7.76 3.73 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 0.00 111 L 7.78 3.97 0.00 1.87 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.00 3.42 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 0.83 0.00 0.00 0.94 0.00 0.00 113 V 7.79 3.71 1.58 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 1.22 0.00 0.00 0.75 0.00 0.00 114 A 7.28 3.67 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 0.00 115 R 7.61 4.27 0.00 1.77 1.94 0.00 3.23 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 116 N 8.22 4.34 0.00 2.51 2.64 0.00 0.00 7.08 7.73 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 0.00 117 F 8.06 4.46 0.00 3.65 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.99 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 0.00 0.00 0.00 119 G 9.33 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 0.00 0.00 0.00 120 Q 8.24 4.46 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.47 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 121 F 7.66 4.38 0.00 2.74 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 0.00 122 T 7.99 3.69 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 1.24 0.00 0.00 123 P 0.00 4.27 0.00 2.26 2.33 0.00 3.67 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 2.05 2.04 0.00 124 N 7.96 4.26 0.00 2.74 2.85 0.00 0.00 6.80 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 0.00 125 V 10.84 3.48 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 0.90 0.00 0.00 0.99 0.00 0.00 126 Q 7.82 2.52 0.00 1.65 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.22 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 127 A 8.57 3.57 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 0.00 128 L 8.13 3.84 0.00 1.65 1.61 0.88 0.63 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 0.00 129 F 8.31 4.19 0.00 3.24 3.23 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 0.00 130 Q 8.35 4.07 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 131 K 7.55 3.82 0.00 1.79 1.79 0.00 1.66 0.00 0.00 1.54 0.00 0.00 3.32 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 132 V 7.24 3.26 1.64 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 0.45 0.00 0.00 0.49 0.00 0.00 133 V 8.54 3.68 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 1.07 0.00 0.00 1.34 0.00 0.00 134 A 7.95 4.01 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 G 8.40 3.42 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 0.00 136 V 8.68 3.23 1.71 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 0.62 0.00 0.00 0.56 0.00 0.00 137 A 7.38 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.37 0.00 2.88 2.89 0.00 0.00 6.89 6.72 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 0.00 139 A 8.87 4.00 1.19 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 0.00 0.00 140 L 7.07 3.92 0.00 0.98 1.02 -0.67 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.32 4.14 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 0.00 142 H 7.91 4.23 0.00 3.46 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.11 4.39 0.00 2.45 1.87 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.58 7.81 144 Y 8.09 4.82 0.00 2.77 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 0.00 145 H 8.76 4.48 0.00 3.34 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00