NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7618 8.0549 120.2773 61.2653 32.5999 174.3948 2 V 4.0102 7.8529 115.4794 58.9335 33.2735 173.6938 3 W 5.0624 8.4089 125.4721 55.2741 31.7665 176.7132 4 T 4.3582 8.9553 113.9118 61.2708 70.5179 175.6730 5 D 4.3865 8.6381 121.0291 57.5647 40.7900 178.7701 6 F 4.1730 8.3513 120.6122 61.2858 39.4115 176.7614 7 E 3.9163 8.5395 118.1222 59.5325 29.3874 179.5221 8 R 3.5667 7.9089 117.5684 59.0522 30.0453 178.9680 9 A 3.8861 7.8638 120.3289 55.4435 18.3548 179.7885 10 T 3.5298 7.6788 114.4081 66.7260 68.4673 177.0046 11 I 3.6777 7.6408 121.3657 64.3364 37.0679 178.3774 12 A 3.9619 7.8604 121.5829 55.1493 17.9340 179.2307 13 D 4.2238 8.0681 115.8614 57.3577 41.5217 178.1402 14 I 3.7323 8.0721 120.7272 64.6800 37.0501 178.4971 15 F 4.0714 8.4279 118.5774 60.4462 38.4980 177.8622 16 S 4.1614 8.2524 113.2696 60.9602 62.6911 176.0015 17 K 4.2505 7.9638 120.4292 56.0441 32.4560 176.5519 18 L 4.2967 7.0465 120.1547 53.4862 42.6000 176.3508 19 D 4.4407 8.5603 123.1249 53.9905 42.0285 176.4278 20 Y 4.4153 8.4586 125.6855 61.0838 37.9781 178.0145 21 E 4.1957 8.5444 120.8886 58.7688 29.9379 178.5002 22 A 3.9594 9.0275 121.0533 55.2874 18.5094 179.8420 23 V 3.6342 8.1600 117.1030 65.9510 31.5112 178.4538 24 G 4.0880 8.0847 107.4912 47.3500 0.0000 175.9892 25 G 3.5464 8.1874 108.1949 47.2609 0.0000 175.8205 26 A 3.9967 8.0172 123.1887 55.0968 18.3434 179.7605 27 T 3.7969 8.3036 114.6849 66.8676 68.5313 176.6427 28 L 3.9280 8.2465 122.1710 57.9156 42.0658 178.7025 29 A 3.9264 8.0687 120.8060 55.1732 18.3108 179.5810 30 R 3.7547 8.0953 117.1939 59.5883 30.1367 178.1070 31 C 4.1354 8.2637 118.6028 62.7526 31.7385 175.7055 32 L 4.0230 8.2309 120.0947 57.0247 40.8348 179.2819 33 I 3.8860 7.0488 118.6578 63.6391 37.7774 177.9282 34 V 3.5636 7.7674 117.9397 64.3189 32.8875 175.7000 35 Y 3.8961 7.4379 115.4066 54.5060 38.0701 174.2616 36 P 4.9327 0.0000 0.0000 64.0226 31.8250 177.7115 37 W 4.4510 7.7625 114.9615 58.7873 28.0493 177.5526 38 T 4.3291 7.8172 114.3122 64.6170 66.7421 175.9217 39 Q 4.2508 8.1977 120.6305 59.2174 28.4529 179.0865 40 R 3.8314 7.6340 116.3578 59.4469 29.3791 178.3313 41 Y 3.9764 7.5169 116.0681 59.2859 38.6790 176.2315 42 F 4.5258 8.1510 119.9178 55.9151 39.3996 177.5640 43 G 3.7676 8.0799 110.7554 48.2887 0.0000 174.2269 44 N 4.9391 7.3507 117.3383 52.8521 37.9286 173.9530 45 F 5.3219 9.2676 117.4868 57.7650 43.3154 178.0568 46 G 4.4347 7.7691 107.5932 46.1903 0.0000 175.0035 47 N 4.4241 8.9554 124.2764 52.5837 38.6267 174.0994 48 L 4.6459 8.1125 123.3752 55.9883 41.5835 177.1267 49 Y 4.9096 7.3013 122.1477 58.1198 37.0360 175.4404 50 N 4.4736 8.9750 125.0612 54.7232 40.8471 175.3246 51 A 3.9942 8.5686 124.0673 55.0824 18.4578 179.7896 52 A 3.9228 8.0225 118.8165 55.1095 18.2535 179.5462 53 A 4.0229 7.8420 118.4060 55.1680 18.9637 179.5512 54 I 3.8135 7.5739 118.5342 64.9300 37.0355 178.5112 55 M 4.1690 8.2190 118.5752 57.8360 31.8705 178.1341 56 G 4.0237 7.5940 102.2663 43.4201 0.0000 173.1828 57 N 4.4173 7.4933 121.4774 52.5862 39.3684 173.9218 58 P 4.2306 0.0000 0.0000 66.1152 31.5269 178.4577 59 M 3.7863 7.8022 118.0211 57.9196 31.7822 178.5596 60 I 2.9956 7.0622 119.4838 64.0261 37.2881 177.8424 61 A 3.8885 7.7120 121.5298 55.3162 18.1779 179.2999 62 K 3.7645 8.0791 117.5620 60.2189 32.2732 178.4686 63 H 4.4426 8.4196 118.4258 59.0234 29.9166 177.1583 64 G 3.7445 8.4795 108.1517 48.3665 0.0000 175.6345 65 T 3.9874 7.9225 118.0344 66.6953 68.4015 176.8686 66 T 3.9569 7.8448 117.4882 66.5519 68.4351 176.6570 67 I 3.6854 7.7053 121.6988 64.5325 37.1822 178.4453 68 L 3.9026 7.8449 119.0808 58.1626 41.5194 179.1890 69 H 4.2445 8.4538 116.2899 58.5696 28.4494 178.0244 70 G 3.5989 8.4059 108.0849 47.9390 0.0000 175.7546 71 L 4.1809 8.0481 123.0783 56.8678 41.5193 178.9875 72 D 4.0114 7.9683 118.0801 57.4293 40.8789 178.5961 73 R 3.9418 7.7256 116.8667 59.1844 30.3117 178.5890 74 A 4.1760 7.8555 120.3198 55.0351 18.1807 179.7930 75 V 3.2962 7.4688 115.9563 65.5457 31.5705 177.5127 76 K 4.3603 8.0833 115.8270 56.5305 32.8483 176.3572 77 N 5.1583 8.0500 117.9131 52.6858 39.7561 176.4702 78 M 4.3978 8.3726 119.2171 58.1179 32.3123 177.4268 79 D 5.0652 8.0778 115.8587 54.1019 41.8041 176.2962 80 N 5.0586 8.4859 119.5380 51.5474 39.5098 176.6699 81 I 3.6655 8.0553 120.8165 64.0621 37.3144 177.4332 82 K 3.7749 7.9873 118.6193 59.6550 32.3035 178.1182 83 A 4.1526 7.9363 120.2881 55.4795 18.1668 179.4540 84 T 3.9257 7.6579 112.7873 66.7262 68.3347 175.4516 85 Y 4.3638 8.2634 116.1716 57.6939 38.1215 176.9433 86 A 4.0318 7.7961 124.4550 55.7819 18.4241 180.1796 87 E 3.9973 8.1004 116.0363 59.0944 29.6596 179.3478 88 L 3.9148 7.7456 118.8517 57.6908 41.7068 179.1784 89 S 4.6645 8.6050 114.6867 60.8718 62.3587 176.1974 90 V 3.4972 7.5998 120.6856 65.9226 31.1489 177.4782 91 L 3.8393 7.9481 119.8633 58.7687 41.9057 178.6022 92 H 4.3943 8.4220 114.8945 58.2725 28.3068 176.0161 93 S 4.5399 8.1844 117.3217 59.7163 62.7836 175.8672 94 E 3.8145 7.9888 125.3984 59.4066 30.1700 178.7836 95 K 4.1422 7.8931 117.9004 58.5669 32.7241 177.4539 96 L 4.1742 8.0625 116.8655 55.1041 42.4189 176.4443 97 H 4.0468 7.7646 114.9438 56.6370 26.5400 175.8380 98 V 3.1169 7.8415 118.4364 61.8324 32.0433 175.0189 99 D 4.3074 8.1966 127.1626 53.9619 41.6841 175.4677 100 P 3.6301 0.0000 0.0000 65.0137 31.2936 177.9092 101 D 4.3420 8.0585 118.0231 57.4505 40.9358 177.7998 102 N 4.3546 8.0201 117.0245 55.9188 38.4510 177.3511 103 F 4.4490 7.3309 119.0895 60.3949 38.8432 177.5496 104 K 4.0595 7.9406 118.9146 59.1172 32.1213 178.6410 105 L 3.7647 7.8452 119.3727 57.6855 41.5272 179.1446 106 L 4.0164 8.2179 120.3326 58.4865 42.0049 179.1004 107 S 4.2004 8.2329 114.9173 61.8777 62.7884 176.4739 108 D 4.5110 8.5875 121.8231 57.6470 40.5265 178.7237 109 C 4.2434 8.2722 117.2554 62.7092 28.0767 175.9118 110 L 4.0043 8.2474 122.0250 58.4332 41.6263 178.9608 111 T 4.0922 8.5164 116.1671 67.0152 68.4551 176.6092 112 I 3.6767 7.9715 121.5505 64.1846 37.1080 178.6099 113 V 3.5124 7.9080 119.2723 65.9882 31.3313 178.3398 114 V 3.2966 7.9812 118.1417 65.4992 31.2215 177.7993 115 A 3.2153 7.4999 120.4931 54.7920 17.9496 179.3724 116 A 3.8472 7.5774 117.9060 55.2875 18.5292 179.4379 117 Q 3.9480 7.5844 116.4975 59.5323 29.3210 178.1697 118 L 4.1082 8.2041 118.8834 55.4001 42.3250 179.1438 119 G 3.8380 8.8138 107.6362 46.2138 0.0000 177.2037 120 K 3.9578 8.8357 124.5654 58.5427 32.2452 177.6847 121 A 4.1125 8.0321 120.7824 54.8398 18.7529 177.8156 122 F 4.4313 8.0306 120.5236 57.0468 37.8619 175.1563 123 S 4.5702 7.5659 121.1613 56.9756 65.8334 175.2133 124 G 3.6145 8.4650 107.5134 48.0622 0.0000 175.5033 125 E 3.9862 8.0781 120.5806 59.1494 29.5336 179.5478 126 V 3.6361 7.6438 117.7599 66.0210 31.6152 177.8480 127 Q 3.6202 8.0504 119.4225 58.8871 28.8095 178.0940 128 A 4.0848 8.2472 121.9220 55.1668 18.4217 179.5186 129 A 4.1934 8.0912 118.8830 55.2381 18.3916 179.7274 130 F 4.3940 8.4740 119.3435 61.6170 39.5653 177.2337 131 Q 4.0400 8.9608 119.7139 58.9698 28.9627 178.1230 132 K 3.9758 8.3957 120.7660 59.3850 32.2130 178.2818 133 F 4.5641 8.6609 120.9744 61.8084 39.2330 177.1527 134 L 3.6095 8.2822 118.6176 57.7105 41.3012 179.7960 135 S 4.0522 8.5269 115.6701 61.4603 62.6935 176.9326 136 V 3.4238 7.5630 120.5662 65.8241 31.2969 178.2554 137 V 2.9823 7.4336 118.1431 65.8871 31.0811 178.1967 138 V 3.3688 7.5578 116.9126 65.7652 31.5618 177.7147 139 S 4.1615 7.9650 112.8472 61.3086 62.0849 175.9973 140 A 3.9580 7.7480 122.1902 54.8886 18.3931 179.0839 141 L 4.2295 7.7899 117.5851 54.2593 41.9576 173.3779 142 G 4.1533 8.0345 111.4232 44.1327 0.0000 172.4425 143 K 3.7559 8.4340 125.7274 55.7275 32.6465 175.9428 144 Q 4.4076 8.2288 124.8788 54.7661 29.9558 174.9850 145 Y 4.6466 8.3624 118.5815 58.0800 39.4486 175.4803 146 H 4.5242 7.8604 122.2155 56.1335 29.9675 173.0295 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 V 8.05 3.76 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 0.45 0.00 0.00 -0.32 0.00 0.00 2 V 7.85 4.01 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 0.65 0.00 0.00 0.89 0.00 0.00 3 W 8.41 5.06 0.00 3.29 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 4 T 8.96 4.36 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 1.31 0.00 0.00 5 D 8.64 4.39 0.00 2.82 2.82 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 6 F 8.35 4.17 0.00 3.09 3.13 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 7 E 8.54 3.92 0.00 2.55 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 2.63 2.69 0.00 8 R 7.91 3.57 0.00 1.98 1.85 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.80 0.00 9 A 7.86 3.89 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 10 T 7.68 3.53 3.93 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 1.02 0.00 0.00 11 I 7.64 3.68 1.51 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.25 0.00 0.00 12 A 7.86 3.96 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 13 D 8.07 4.22 0.00 2.70 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 14 I 8.07 3.73 1.96 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 1.41 0.49 0.40 0.00 0.00 15 F 8.43 4.07 0.00 3.16 3.31 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 16 S 8.25 4.16 0.00 4.01 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.96 4.25 0.00 1.82 1.83 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 18 L 7.05 4.30 0.00 1.77 1.65 0.39 0.82 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 19 D 8.56 4.44 0.00 2.69 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 20 Y 8.46 4.42 0.00 2.94 2.86 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 21 E 8.54 4.20 0.00 2.09 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 0.00 2.39 2.26 0.00 22 A 9.03 3.96 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 23 V 8.16 3.63 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 0.94 0.00 0.00 0.93 0.00 0.00 24 G 8.08 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.19 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 26 A 8.02 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.30 3.80 4.44 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 1.29 0.00 0.00 28 L 8.25 3.93 0.00 1.73 1.62 0.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.07 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.10 3.75 0.00 2.00 2.14 0.00 3.10 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 31 C 8.26 4.14 0.00 3.11 3.11 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 32 L 8.23 4.02 0.00 1.86 1.71 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.05 3.89 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 1.38 0.59 0.85 0.00 0.00 34 V 7.77 3.56 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 -0.12 0.00 0.00 0.78 0.00 0.00 35 Y 7.44 3.90 0.00 2.69 1.56 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 36 P 0.00 4.93 0.00 2.23 2.11 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 37 W 7.76 4.45 0.00 3.57 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 38 T 7.82 4.33 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 1.34 0.00 0.00 39 Q 8.20 4.25 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 40 R 7.63 3.83 0.00 1.72 1.95 0.00 2.80 0.00 0.00 2.63 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.00 41 Y 7.52 3.98 0.00 2.60 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 42 F 8.15 4.53 0.00 2.67 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 43 G 8.08 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 44 N 7.35 4.94 0.00 2.86 2.85 0.00 0.00 6.81 7.33 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 45 F 9.27 5.32 0.00 3.08 3.01 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 46 G 7.77 4.43 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 0.00 0.00 0.00 47 N 8.96 4.42 0.00 2.77 2.85 0.00 0.00 6.78 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 48 L 8.11 4.65 0.00 1.70 1.69 0.85 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.30 4.91 0.00 3.02 2.68 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 50 N 8.98 4.47 0.00 2.78 2.75 0.00 0.00 6.81 8.15 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 51 A 8.57 3.99 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 52 A 8.02 3.92 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 A 7.84 4.02 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 54 I 7.57 3.81 2.02 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 1.24 0.90 0.00 0.00 55 M 8.22 4.17 0.00 1.95 2.12 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 2.62 2.97 0.00 56 G 7.59 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.49 4.42 0.00 3.02 2.64 0.00 0.00 6.90 7.03 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 58 P 0.00 4.23 0.00 2.24 2.24 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 59 M 7.80 3.79 0.00 1.43 1.72 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.47 0.00 60 I 7.06 3.00 1.80 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 1.43 0.17 0.81 0.00 0.00 61 A 7.71 3.89 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 62 K 8.08 3.76 0.00 1.93 1.96 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 63 H 8.42 4.44 0.00 3.68 3.50 0.00 5.85 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 64 G 8.48 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 0.00 0.00 0.00 65 T 7.92 3.99 4.45 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 1.36 0.00 0.00 66 T 7.84 3.96 4.43 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 1.27 0.00 0.00 67 I 7.71 3.69 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 0.96 0.00 0.00 68 L 7.84 3.90 0.00 1.71 1.17 0.91 1.19 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 69 H 8.45 4.24 0.00 3.40 3.41 0.00 5.82 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 70 G 8.41 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.05 4.18 0.00 1.93 1.84 1.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.97 4.01 0.00 2.69 2.89 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 73 R 7.73 3.94 0.00 2.08 2.06 0.00 3.20 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 74 A 7.86 4.18 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 75 V 7.47 3.30 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 0.61 0.00 0.00 -0.24 0.00 0.00 76 K 8.08 4.36 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.71 7.81 77 N 8.05 5.16 0.00 2.92 2.76 0.00 0.00 6.93 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 78 M 8.37 4.40 0.00 1.57 1.98 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 79 D 8.08 5.07 0.00 2.71 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 80 N 8.49 5.06 0.00 2.72 2.70 0.00 0.00 7.22 7.47 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 81 I 8.06 3.67 1.76 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 1.47 0.77 0.32 0.00 0.00 82 K 7.99 3.77 0.00 1.70 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.62 7.81 83 A 7.94 4.15 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 84 T 7.66 3.93 4.55 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 1.40 0.00 0.00 85 Y 8.26 4.36 0.00 3.04 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 86 A 7.80 4.03 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 87 E 8.10 4.00 0.00 1.95 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 0.00 2.38 2.32 0.00 88 L 7.75 3.91 0.00 1.60 1.50 0.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.60 4.66 0.00 4.05 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 90 V 7.60 3.50 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 0.90 0.00 0.00 0.95 0.00 0.00 91 L 7.95 3.84 0.00 1.94 1.76 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.42 4.39 0.00 3.38 3.57 0.00 5.85 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.18 4.54 0.00 3.83 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 94 E 7.99 3.81 0.00 2.10 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 0.00 2.30 2.20 0.00 95 K 7.89 4.14 0.00 1.66 1.96 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.42 7.81 96 L 8.06 4.17 0.00 1.58 1.66 0.71 0.97 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 97 H 7.76 4.05 0.00 3.32 3.39 0.00 5.85 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.84 3.12 1.90 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 -0.13 0.00 0.00 0.47 0.00 0.00 99 D 8.20 4.31 0.00 2.77 2.51 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 0.00 100 P 0.00 3.63 0.00 2.38 2.41 0.00 3.70 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 2.07 2.06 0.00 101 D 8.06 4.34 0.00 2.94 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 0.00 102 N 8.02 4.35 0.00 2.44 2.69 0.00 0.00 6.90 7.67 0.00 0.00 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 F 7.33 4.45 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 0.00 104 K 7.94 4.06 0.00 1.86 1.94 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.55 7.81 105 L 7.85 3.76 0.00 1.73 1.16 0.69 -0.15 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 0.00 106 L 8.22 4.02 0.00 1.85 1.92 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.23 4.20 0.00 4.11 3.93 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 0.00 108 D 8.59 4.51 0.00 2.94 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 C 8.27 4.24 0.00 3.28 3.03 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 0.00 110 L 8.25 4.00 0.00 1.86 1.97 0.98 0.91 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 0.00 111 T 8.52 4.09 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 1.47 0.00 0.00 112 I 7.97 3.68 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.89 0.00 0.00 113 V 7.91 3.51 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 0.94 0.00 0.00 0.94 0.00 0.00 114 V 7.98 3.30 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 0.16 0.00 0.00 0.66 0.00 0.00 115 A 7.50 3.22 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.58 3.85 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 0.00 117 Q 7.58 3.95 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 118 L 8.20 4.11 0.00 1.60 1.73 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.81 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 0.00 120 K 8.84 3.96 0.00 1.75 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 121 A 8.03 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.03 4.43 0.00 2.87 3.09 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 0.00 0.00 0.00 123 S 7.57 4.57 0.00 4.06 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 0.00 124 G 8.46 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 0.00 0.00 0.00 125 E 8.08 3.99 0.00 2.00 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 2.25 2.28 0.00 126 V 7.64 3.64 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 0.80 0.00 0.00 1.04 0.00 0.00 127 Q 8.05 3.62 0.00 1.52 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 128 A 8.25 4.08 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 0.00 129 A 8.09 4.19 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.39 0.00 3.36 3.43 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 0.00 131 Q 8.96 4.04 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 132 K 8.40 3.98 0.00 2.06 2.23 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.32 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.49 1.39 7.81 133 F 8.66 4.56 0.00 3.21 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.28 3.61 0.00 1.60 1.58 0.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.53 4.05 0.00 3.95 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 0.00 136 V 7.56 3.42 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 0.92 0.00 0.00 0.77 0.00 0.00 137 V 7.43 2.98 1.69 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 0.73 0.00 0.00 -0.05 0.00 0.00 138 V 7.56 3.37 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 0.92 0.00 0.00 0.96 0.00 0.00 139 S 7.97 4.16 0.00 3.97 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 0.00 140 A 7.75 3.96 1.11 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 0.00 141 L 7.79 4.23 0.00 1.15 0.61 0.51 0.54 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 0.00 142 G 8.03 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.43 3.76 0.00 1.66 1.59 0.00 1.53 0.00 0.00 0.67 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.76 1.21 7.81 144 Q 8.23 4.41 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 145 Y 8.36 4.65 0.00 2.73 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 0.00 146 H 7.86 4.52 0.00 3.09 3.14 0.00 5.93 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