NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4144 8.3044 120.3288 54.7238 33.4768 174.2199 2 E 3.8271 8.3583 120.8110 55.1377 30.1370 174.6221 3 A 4.0874 9.3473 129.6563 52.9019 19.8343 177.1404 4 L 4.0917 8.5108 121.0838 55.7937 42.1089 178.2386 5 G 3.8208 9.5527 104.7045 45.2831 0.0000 172.4726 6 A 4.5372 7.4023 116.1048 50.9280 21.9974 176.4541 7 D 4.6796 8.5845 122.0042 53.4982 42.1563 176.1662 8 V 4.5833 8.4184 123.4132 61.5776 33.9914 175.3584 9 T 4.3459 8.2434 121.4649 61.4580 69.5684 173.4353 10 Q 3.9994 8.8281 127.0587 56.3767 28.2141 177.4759 11 G 3.8714 8.6782 110.7884 45.7809 0.0000 171.4657 12 L 4.8446 8.0828 119.6269 52.8125 45.4684 174.8050 13 E 5.0341 8.0441 117.3422 53.1878 33.3823 174.5693 14 K 4.1145 8.4546 120.7037 57.4794 32.6919 176.9107 15 G 3.9733 8.7972 114.8509 44.9253 0.0000 173.3844 16 S 4.2944 7.6404 116.0564 58.2590 64.0101 173.4674 17 L 4.8636 8.5873 125.6778 54.0674 42.0427 175.8959 18 I 4.6770 9.1048 118.1470 58.9561 41.4402 174.5275 19 T 4.5438 8.5907 112.4575 60.9623 70.8686 173.9049 20 C 4.9073 8.5118 124.6494 57.4766 31.2813 174.0311 21 A 4.4979 8.5433 134.3885 49.9745 16.1209 174.8443 22 D 4.8377 7.5747 118.7034 53.2007 42.2834 176.1725 23 N 4.9059 8.5212 117.0259 53.1393 37.4765 176.1776 24 T 3.7840 7.8490 109.6158 63.5360 68.8463 175.2245 25 G 3.8986 7.9832 110.3928 44.9544 0.0000 172.7319 26 A 4.4593 7.2412 121.9396 51.3435 19.8700 176.5620 27 R 4.3693 8.6191 122.6505 57.5300 31.7084 175.6215 28 E 5.0984 7.9839 118.8883 54.2896 32.4169 173.9139 29 L 5.0635 9.2139 126.3110 52.7086 45.5836 175.2014 30 K 4.8890 8.5708 123.3721 54.2920 34.8396 175.4845 31 V 3.9708 8.7047 128.4013 63.6462 32.1675 175.3302 32 I 4.2663 8.8675 127.2649 62.6597 39.2488 175.7156 33 S 4.7361 7.8309 115.1698 56.9706 68.3373 172.9797 34 V 4.4571 8.2193 120.2123 61.0945 33.5451 174.1604 35 H 4.1497 8.6065 128.3451 58.1886 29.8164 175.5535 36 G 3.9592 8.8897 114.7803 45.5075 0.0000 172.2340 37 Y 4.5106 7.7335 120.8363 56.3214 39.8334 174.5316 38 S 4.3930 7.6607 120.0531 56.3526 65.7236 173.4037 39 G 3.8448 8.1097 122.5314 45.5934 0.0000 171.6588 40 T 4.6253 8.0197 117.6733 59.4804 70.9820 173.5197 41 K 3.9281 8.4903 125.0354 57.5820 32.9735 176.0098 42 N 4.2038 8.7910 122.6434 53.2251 35.2139 173.5083 43 R 4.5694 7.3602 115.8993 55.2978 33.7312 173.7472 44 H 4.4512 8.8768 123.3225 54.4913 29.4633 172.7759 45 P 4.6190 0.0000 0.0000 63.0475 31.9339 175.6383 46 K 4.5168 8.4304 124.4681 56.4793 33.6540 176.1848 47 A 4.6683 8.9425 124.7411 50.2001 22.4708 175.1725 48 G 4.5864 8.6846 106.6808 43.8725 0.0000 171.7480 49 L 3.9764 8.1612 122.7667 55.8232 42.3642 177.3274 50 G 4.0274 9.0909 115.5733 46.0527 0.0000 172.1577 51 D 5.0787 7.9315 118.2932 51.8227 44.2607 175.4320 52 K 4.5950 8.7538 124.7130 55.8290 33.2673 175.3252 53 I 4.9298 8.9400 121.5492 59.3262 41.0741 174.6138 54 T 4.5990 8.5613 121.0341 62.9983 69.9289 174.2027 55 V 5.0719 8.8397 125.3310 61.0688 36.0667 173.9731 56 S 5.5416 8.5595 118.0873 55.1986 66.2906 173.2949 57 V 4.0403 8.3328 123.5115 63.5486 31.8103 176.0564 58 T 4.1671 8.9059 126.0922 65.6712 68.6748 174.9608 59 K 4.5392 8.4358 120.1132 53.7730 35.1692 176.3150 60 G 4.1074 7.8946 109.6170 45.6490 0.0000 172.1660 61 T 4.2140 7.2674 111.3662 60.6843 70.8597 173.6930 62 P 4.1801 0.0000 0.0000 66.2410 31.4320 178.2296 63 E 4.1808 8.0650 115.5761 58.8499 29.6968 178.1462 64 M 4.2486 7.3675 117.8701 56.3848 32.5189 177.3224 65 R 3.9911 7.5265 117.7787 57.2850 30.7769 177.1092 66 R 4.2053 7.9684 116.3473 57.1032 28.6249 176.1072 67 Q 4.4741 7.3746 117.2430 54.7335 30.9439 175.3331 68 V 4.2514 8.3695 123.4350 61.5209 31.4788 174.4780 69 L 4.8937 8.5307 126.7541 52.5492 45.4312 175.4816 70 E 4.8710 8.5391 119.5289 55.9685 31.6452 175.1958 71 A 4.9570 8.8451 123.0969 50.8641 23.8706 174.9509 72 V 4.4289 8.0875 118.6631 60.7504 34.5765 174.9625 73 V 3.7541 8.3186 128.0255 63.2539 31.5903 176.3734 74 V 3.7083 8.3779 128.5142 64.8736 32.3188 176.0891 75 R 4.2218 8.1674 118.5213 54.2494 34.3896 174.4432 76 Q 4.8404 8.2412 117.3532 55.2915 31.6476 175.6841 77 R 4.2618 8.6968 119.2954 58.6227 30.7250 177.3791 78 K 4.2281 7.8960 119.2262 55.2393 32.8454 175.2055 79 P 4.7009 0.0000 0.0000 63.3179 31.9525 175.6294 80 I 4.5189 8.8521 117.6065 59.2245 41.1079 174.4629 81 R 4.9383 9.0665 124.7224 54.6713 31.7817 175.7816 82 R 4.4924 8.6704 126.3581 55.0957 30.9213 176.0591 83 P 4.2363 0.0000 0.0000 65.9525 31.3912 177.0985 84 D 4.5700 8.0423 114.4836 53.4358 39.1641 177.2431 85 G 4.0112 8.2251 109.3790 46.0206 0.0000 174.6092 86 T 4.1351 7.5442 116.5791 63.6899 69.6444 173.8045 87 R 5.0749 8.4312 123.6975 54.9539 32.4149 175.9246 88 V 4.4904 8.5053 121.2940 60.9898 34.9358 174.3646 89 K 4.8494 8.2607 125.3579 55.3150 35.6740 175.6610 90 F 4.6125 8.5404 121.1738 56.0128 40.7607 176.0613 91 E 4.0675 9.1070 120.6604 58.9479 29.5150 175.4078 92 D 5.0726 7.7989 114.8282 51.7115 43.4995 173.8588 93 N 4.9908 8.6907 115.2943 51.3840 38.9662 173.7227 94 A 5.3087 8.6267 124.6854 50.1236 23.2793 174.1518 95 A 4.9240 9.2599 119.6754 50.4939 23.4761 175.3684 96 V 4.5696 7.9938 118.7880 60.8283 34.5863 175.4210 97 I 4.3701 8.4574 127.8953 61.5909 38.2440 175.1047 98 V 4.9749 8.5386 124.3323 61.7181 35.5071 174.1135 99 D 5.1854 8.1898 123.1583 51.6302 41.8328 176.1345 100 E 3.9119 8.9780 117.2367 60.3088 29.4089 177.7115 101 N 4.7190 8.2519 112.4890 52.8427 38.5381 174.7183 102 E 3.8482 7.8703 115.9662 57.5613 27.6676 173.8143 103 D 4.8812 8.3564 118.7079 51.7278 42.2509 174.6749 104 P 4.7404 0.0000 0.0000 62.7203 31.7478 177.4919 105 R 4.0230 8.4160 122.2602 58.3933 30.8970 177.2751 106 G 4.2786 7.1152 109.0320 45.3991 0.0000 173.5167 107 T 4.4118 8.4763 113.4832 64.5513 72.1262 173.8979 108 E 4.6995 8.0600 120.5570 54.4430 32.1085 174.8456 109 L 4.7271 8.4372 124.4863 53.0819 43.3603 176.5559 110 K 4.1607 8.2286 122.9990 56.7596 33.1102 177.5428 111 G 3.9753 8.7826 113.7057 43.7319 0.0000 171.4386 112 P 4.7207 0.0000 0.0000 62.8573 32.3483 175.3356 113 I 4.5486 8.5717 120.7277 59.5204 41.4210 174.0418 114 A 5.4308 8.1717 124.2860 50.4612 20.7028 178.6438 115 R 4.0543 9.0351 117.1172 58.3040 29.8626 178.7228 116 E 4.0897 8.0918 117.6766 58.6359 30.1595 177.9404 117 V 3.8734 7.7421 118.4478 65.1093 32.0410 177.9688 118 A 4.0508 7.5395 122.4949 55.4276 18.4598 178.6492 119 Q 4.1152 8.2476 113.1883 59.4351 28.6322 178.4864 120 R 3.7060 7.6440 114.9629 58.2867 30.5955 178.0307 121 F 4.6913 8.0254 119.8726 56.0658 37.9018 176.9753 122 G 3.6492 8.0346 111.6241 47.2168 0.0000 172.2327 123 S 4.2707 8.0962 114.5919 60.3368 63.2807 175.5848 124 V 3.9740 7.3933 121.1429 64.8169 31.9843 177.2696 125 A 4.2271 7.8069 120.5790 54.6925 18.1521 178.4799 126 S 4.6810 8.1036 110.4462 58.3782 63.2610 175.0069 127 A 4.5475 7.7008 119.4619 53.1727 22.4702 177.3487 128 A 4.2173 7.8333 119.3234 52.2297 18.7640 177.5587 129 T 4.2159 8.0945 117.3569 65.2020 69.6467 174.6826 130 M 4.9117 7.6529 119.9912 53.5464 35.9395 174.3159 131 I 4.9707 8.3434 121.8804 59.6390 40.6202 175.5870 132 V 4.0767 8.8506 126.7745 62.9189 31.6447 175.2251 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 4.41 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 2 E 8.36 3.83 0.00 1.93 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 2.24 2.33 0.00 3 A 9.35 4.09 1.25 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 0.00 0.00 4 L 8.51 4.09 0.00 1.67 1.76 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.55 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.40 4.54 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.58 4.68 0.00 2.68 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 8 V 8.42 4.58 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 0.85 0.00 0.00 0.97 0.00 0.00 9 T 8.24 4.35 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 1.22 0.00 0.00 10 Q 8.83 4.00 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 11 G 8.68 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 12 L 8.08 4.84 0.00 1.62 1.50 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.04 5.03 0.00 1.98 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 2.30 2.22 0.00 14 K 8.45 4.11 0.00 1.72 1.70 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.62 7.81 15 G 8.80 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 16 S 7.64 4.29 0.00 4.11 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 17 L 8.59 4.86 0.00 1.52 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 I 9.10 4.68 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.88 0.00 0.00 19 T 8.59 4.54 4.21 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 1.20 0.00 0.00 20 C 8.51 4.91 0.00 2.98 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 21 A 8.54 4.50 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 22 D 7.57 4.84 0.00 2.71 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 23 N 8.52 4.91 0.00 2.93 3.02 0.00 0.00 5.73 7.22 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 24 T 7.85 3.78 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 25 G 7.98 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 0.00 0.00 0.00 26 A 7.24 4.46 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 27 R 8.62 4.37 0.00 1.93 1.95 0.00 3.07 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 7.98 5.10 0.00 2.00 1.84 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 2.25 2.28 0.00 29 L 9.21 5.06 0.00 1.64 1.48 0.88 0.61 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 30 K 8.57 4.89 0.00 1.79 1.76 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.70 3.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 32 I 8.87 4.27 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 1.22 0.78 0.91 0.00 0.00 33 S 7.83 4.74 0.00 3.74 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 34 V 8.22 4.46 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 0.92 0.00 0.00 0.86 0.00 0.00 35 H 8.61 4.15 0.00 3.21 3.40 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.89 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 37 Y 7.73 4.51 0.00 2.93 3.06 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 0.00 0.00 0.00 38 S 7.66 4.39 0.00 3.68 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 39 G 8.11 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 40 T 8.02 4.63 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 1.23 0.00 0.00 41 K 8.49 3.93 0.00 1.75 1.70 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.47 7.81 42 N 8.79 4.20 0.00 2.92 2.86 0.00 0.00 6.77 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 43 R 7.36 4.57 0.00 1.77 1.82 0.00 3.38 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 44 H 8.88 4.45 0.00 3.16 3.24 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.62 0.00 2.19 2.49 0.00 3.74 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 46 K 8.43 4.52 0.00 1.67 1.79 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.07 7.81 47 A 8.94 4.67 1.14 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 0.00 0.00 48 G 8.68 4.59 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 0.00 0.00 0.00 49 L 8.16 3.98 0.00 1.67 1.64 0.99 1.20 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 50 G 9.09 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.93 5.08 0.00 2.74 2.55 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 52 K 8.75 4.59 0.00 1.95 1.71 0.00 1.67 0.00 0.00 1.95 0.00 0.00 2.56 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.25 7.81 53 I 8.94 4.93 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.87 0.00 0.00 54 T 8.56 4.60 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 1.22 0.00 0.00 55 V 8.84 5.07 2.13 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 1.05 0.00 0.00 0.95 0.00 0.00 56 S 8.56 5.54 0.00 3.89 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 57 V 8.33 4.04 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 0.97 0.00 0.00 0.97 0.00 0.00 58 T 8.91 4.17 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 K 8.44 4.54 0.00 1.67 1.66 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.39 7.81 60 G 7.89 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.27 4.21 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 62 P 0.00 4.18 0.00 2.03 2.19 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 63 E 8.06 4.18 0.00 1.93 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 2.30 2.33 0.00 64 M 7.37 4.25 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.70 0.00 65 R 7.53 3.99 0.00 1.87 1.84 0.00 3.24 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 66 R 7.97 4.21 0.00 2.01 2.04 0.00 3.14 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.37 4.47 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 68 V 8.37 4.25 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 0.80 0.00 0.00 0.93 0.00 0.00 69 L 8.53 4.89 0.00 1.61 1.49 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.54 4.87 0.00 1.88 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 0.00 2.34 2.30 0.00 71 A 8.85 4.96 1.12 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 0.00 0.00 72 V 8.09 4.43 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 0.27 0.00 0.00 -0.16 0.00 0.00 73 V 8.32 3.75 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 0.78 0.00 0.00 0.91 0.00 0.00 74 V 8.38 3.71 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 0.88 0.00 0.00 75 R 8.17 4.22 0.00 1.58 1.58 0.00 3.08 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 76 Q 8.24 4.84 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 77 R 8.70 4.26 0.00 1.85 2.05 0.00 3.22 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 78 K 7.90 4.23 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.54 7.81 79 P 0.00 4.70 0.00 1.97 1.98 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 80 I 8.85 4.52 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.99 0.00 0.00 81 R 9.07 4.94 0.00 1.86 1.91 0.00 3.09 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 82 R 8.67 4.49 0.00 2.03 1.83 0.00 3.37 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 83 P 0.00 4.24 0.00 2.04 2.14 0.00 3.68 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 2.04 2.14 0.00 84 D 8.04 4.57 0.00 2.78 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 85 G 8.23 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.54 4.14 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 1.18 0.00 0.00 87 R 8.43 5.07 0.00 1.66 1.82 0.00 3.31 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.51 4.49 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 0.67 0.00 0.00 0.86 0.00 0.00 89 K 8.26 4.85 0.00 1.88 1.67 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.37 7.81 90 F 8.54 4.61 0.00 3.18 3.07 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 91 E 9.11 4.07 0.00 1.99 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 2.32 2.27 0.00 92 D 7.80 5.07 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 93 N 8.69 4.99 0.00 2.74 2.99 0.00 0.00 5.58 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 94 A 8.63 5.31 1.14 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 0.00 0.00 95 A 9.26 4.92 1.13 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 96 V 7.99 4.57 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 0.97 0.00 0.00 0.91 0.00 0.00 97 I 8.46 4.37 1.83 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 1.07 0.73 0.92 0.00 0.00 98 V 8.54 4.97 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 0.73 0.00 0.00 0.83 0.00 0.00 99 D 8.19 5.19 0.00 2.93 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 0.00 100 E 8.98 3.91 0.00 1.98 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 2.32 2.35 0.00 101 N 8.25 4.72 0.00 2.90 2.84 0.00 0.00 6.93 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 0.00 102 E 7.87 3.85 0.00 2.28 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 0.00 2.39 2.35 0.00 103 D 8.36 4.88 0.00 3.05 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 0.00 104 P 0.00 4.74 0.00 2.19 2.16 0.00 3.71 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 2.07 1.95 0.00 105 R 8.42 4.02 0.00 1.80 1.98 0.00 3.22 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 106 G 7.12 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 0.00 107 T 8.48 4.41 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 0.00 108 E 8.06 4.70 0.00 1.88 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 0.00 2.29 2.29 0.00 109 L 8.44 4.73 0.00 1.49 1.76 0.90 0.94 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 0.00 110 K 8.23 4.16 0.00 1.64 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 111 G 8.78 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 0.00 112 P 0.00 4.72 0.00 2.26 2.15 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 113 I 8.57 4.55 1.97 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 1.09 0.73 0.89 0.00 0.00 114 A 8.17 5.43 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 9.04 4.05 0.00 2.03 2.24 0.00 2.79 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 116 E 8.09 4.09 0.00 2.03 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 2.34 2.50 0.00 117 V 7.74 3.87 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 1.10 0.00 0.00 0.99 0.00 0.00 118 A 7.54 4.05 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 0.00 119 Q 8.25 4.12 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 120 R 7.64 3.71 0.00 1.35 0.76 0.00 3.16 0.00 0.00 2.96 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 121 F 8.03 4.69 0.00 3.18 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 0.00 122 G 8.03 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 0.00 123 S 8.10 4.27 0.00 4.15 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 0.00 124 V 7.39 3.97 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 0.82 0.00 0.00 0.96 0.00 0.00 125 A 7.81 4.23 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 0.00 126 S 8.10 4.68 0.00 4.00 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 0.00 127 A 7.70 4.55 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 0.00 128 A 7.83 4.22 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 0.00 129 T 8.09 4.22 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 1.22 0.00 0.00 130 M 7.65 4.91 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.34 4.97 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.85 4.08 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 0.99 0.00 0.00 1.10 0.00 0.00