NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5267 8.1633 120.2928 55.2733 34.5789 173.2966 2 K 4.8513 8.9406 119.6844 54.4877 34.3798 175.0997 3 F 5.4682 10.0765 125.3170 55.6292 43.0026 174.0004 4 A 5.2081 9.1991 123.6331 50.3147 21.6127 174.9813 5 L 5.2246 8.9166 122.9171 53.0939 44.7821 175.4332 6 Q 5.0874 9.0349 124.3100 54.3182 32.1265 173.9677 7 I 5.1186 8.7019 126.9042 59.9349 39.7964 175.5992 8 N 5.3156 9.4031 123.9663 53.3091 39.6630 174.6836 9 E 4.8444 8.1159 118.3068 53.9856 33.6555 175.7155 10 G 4.2586 8.6320 108.8907 45.1404 0.0000 171.3771 11 P 4.4749 0.0000 0.0000 63.8783 32.1061 175.7927 12 Y 4.0614 8.3286 123.5868 59.1932 36.5740 170.6254 13 Q 4.1551 8.3665 118.3179 58.7452 29.1366 176.1293 14 H 5.0296 7.7044 113.0614 53.2822 32.3887 174.2409 15 Q 3.9521 8.7709 121.5969 57.6651 28.8499 177.8783 16 A 4.1474 7.5384 122.3461 56.1947 18.4094 179.4348 17 S 4.3104 8.2444 110.5656 61.7702 62.4469 176.0340 18 D 4.3024 8.0581 121.0574 57.4512 40.6580 178.7211 19 S 4.1246 8.5474 115.8965 61.5250 62.7630 176.6373 20 A 2.5800 7.9239 123.7415 54.5708 17.9386 179.0548 21 Y 2.9380 7.9279 117.9544 60.7267 38.8164 178.3928 22 Q 3.6908 8.1298 119.0143 58.6173 28.6420 178.6922 23 F 3.8553 8.2382 121.5578 61.0507 39.4577 176.9774 24 A 3.8545 8.1758 120.7620 55.0532 18.2291 179.4355 25 K 3.4050 7.6744 118.1267 59.5006 31.7250 178.8477 26 A 3.8088 7.6483 120.7291 54.9014 18.3423 179.5334 27 A 3.7705 7.6928 119.5563 55.1976 18.3976 179.9166 28 L 3.9368 7.9341 117.9325 57.8240 41.3032 179.4847 29 E 4.1751 7.9070 117.2659 58.4171 29.4984 178.4518 30 K 4.2541 7.3248 115.6697 56.4763 32.5365 177.6448 31 G 3.9757 7.8240 108.1037 45.1118 0.0000 173.5995 32 H 4.6520 7.5977 116.1108 55.6277 29.8635 174.4199 33 E 4.5717 9.1626 122.3497 55.2413 31.5022 175.0706 34 I 4.8847 8.3176 127.4489 59.6750 37.6599 175.0030 35 F 4.3253 9.4127 131.5650 61.1828 40.0662 175.4281 36 R 4.5438 7.7044 114.6241 55.4689 33.5296 173.4926 37 V 4.6316 8.4330 125.6843 61.1816 33.7507 173.8257 38 F 5.0236 9.3151 131.3519 56.4012 41.8772 173.8972 39 F 5.1184 8.7241 125.5580 56.2192 40.7202 174.4182 40 Y 5.3012 8.8817 124.1268 56.1303 42.8928 175.1846 41 H 3.5997 7.5159 117.6071 56.6645 27.4369 176.6778 42 D 4.6591 8.6873 121.6726 57.2611 40.6471 178.1234 43 G 4.2360 8.5104 107.4154 46.9025 0.0000 176.0421 44 V 3.6972 7.8560 114.2346 63.9767 31.2726 177.4611 45 N 4.5602 7.8566 114.2943 54.3772 38.4514 175.7643 46 N 4.5428 7.6892 117.6946 53.5482 39.1080 175.3310 47 S 2.7900 7.0124 114.4900 57.2580 63.6039 173.7221 48 T 4.4121 7.2752 116.0365 61.9436 67.7168 174.2082 49 R 4.4294 8.8262 123.8047 56.4416 29.9283 176.6640 50 L 4.4583 7.7589 118.3643 55.0468 41.7512 176.7558 51 T 4.2977 7.5769 109.2978 61.7365 70.1535 175.0626 52 T 4.6275 7.8195 118.2029 61.6117 69.0988 171.8512 53 P 4.2873 0.0000 0.0000 61.0135 32.7633 175.0707 54 P 4.2653 0.0000 0.0000 63.2643 31.6156 177.9996 55 Q 4.0360 8.6394 120.9869 58.4294 28.8790 176.6855 56 D 4.7239 7.9781 115.8594 53.0285 39.6355 174.8333 57 D 4.8733 7.5950 118.6573 52.1649 44.6984 174.9661 58 R 3.9816 8.4495 118.1076 56.4796 29.9449 176.9014 59 H 4.7506 8.4150 119.8328 54.4018 29.9083 175.1144 60 I 3.4674 8.3325 129.2728 64.1997 37.1656 178.1615 61 V 3.7790 7.8751 118.0913 66.3725 31.4519 177.7062 62 N 4.4222 8.3457 115.6986 56.1485 38.3626 177.2987 63 R 4.1833 8.1592 121.8401 58.6668 30.0326 178.6455 64 W 4.3978 8.2845 118.5858 59.8361 29.1051 178.3729 65 A 3.9559 8.3837 120.7607 55.2218 17.6629 179.5863 66 E 3.9938 8.6738 117.5449 59.3991 29.5147 179.3341 67 L 4.1708 8.2940 120.3212 58.1778 42.2161 178.8917 68 A 4.1103 8.5151 121.0709 54.9602 18.0375 179.3042 69 E 3.8568 8.1351 117.0732 59.5708 29.8925 178.5052 70 Q 3.9967 8.0641 118.1449 58.5857 29.1879 176.8375 71 Y 4.4826 7.9685 114.0045 56.3030 39.6485 175.2960 72 E 3.8450 8.2217 118.6550 57.2680 27.4638 174.8008 73 L 4.2364 7.5771 116.8955 54.3010 43.3550 177.2166 74 D 4.5808 8.3852 122.2463 53.5304 42.0505 174.5673 75 M 4.8366 8.3040 126.5497 53.8676 33.8754 175.3032 76 V 4.8789 9.0000 124.6836 60.9155 34.8279 174.2330 77 V 4.4762 8.6095 127.5746 60.6835 34.0420 174.2247 78 C 4.6426 8.3149 129.1310 59.7195 32.0033 174.7552 79 V 3.6270 9.0764 127.2277 64.8317 30.9362 178.4391 80 A 3.9859 8.0970 120.8092 54.9831 18.3104 179.3960 81 A 3.9642 8.1750 118.5395 55.0983 18.3953 179.5867 82 A 3.9455 8.2214 119.6608 55.4157 18.2286 179.9116 83 Q 3.9225 8.2136 116.0459 59.0562 28.8218 178.6582 84 R 4.0363 7.7614 118.8074 58.6520 30.2366 177.8067 85 R 4.4731 7.6958 115.2420 55.5765 30.9310 176.9114 86 G 3.9428 8.4196 107.4615 45.3879 0.0000 173.0292 87 I 4.4658 7.5750 120.2287 59.3772 38.6686 175.5702 88 V 4.5181 9.6195 127.4174 61.1115 35.0595 174.3384 89 D 5.1281 8.4129 126.4188 51.5572 42.7890 176.5015 90 E 4.0342 9.0499 117.0721 59.7795 29.2883 179.7380 91 G 3.6542 8.0588 104.8300 47.9885 0.0000 175.3018 92 E 3.9722 8.7737 121.4890 58.9096 29.4034 179.2453 93 A 3.9966 8.1566 120.8505 55.2139 18.1677 179.7145 94 S 4.0051 7.9640 111.1289 61.7787 62.3527 176.7011 95 R 4.0848 8.0190 119.2873 58.3918 29.8452 177.7666 96 N 4.8296 8.5003 113.9159 51.6343 39.5440 174.7682 97 G 3.9032 7.5928 106.8763 46.6269 0.0000 174.0892 98 K 4.5429 8.2404 117.6299 54.7609 34.1409 176.7529 99 D 4.7243 8.4575 119.7850 52.9718 39.7347 175.5650 100 A 4.5666 7.3560 120.8448 51.8826 21.8940 175.6434 101 T 4.7782 8.1676 109.0197 60.0498 71.8716 173.7624 102 N 4.9201 8.7711 115.9967 52.0877 39.2555 174.3892 103 I 4.0646 7.5218 119.3018 61.1093 38.9892 174.4315 104 H 4.4865 9.1316 127.0442 54.7484 30.3092 174.5313 105 P 4.3506 0.0000 0.0000 65.4986 30.9622 177.2994 106 K 4.1961 8.4970 116.6800 57.7707 32.5112 176.5037 107 F 5.0784 8.3673 117.5952 55.8001 41.1176 175.5133 108 R 4.7655 8.6680 117.1208 54.5403 32.7213 174.2001 109 I 4.7552 8.3417 122.3483 60.6163 38.5660 174.8501 110 S 4.5919 8.9862 121.0277 56.9701 66.7074 173.2811 111 G 4.1221 8.6833 109.2577 44.8620 0.0000 174.5685 112 L 4.1861 8.6052 121.5019 57.6077 41.9244 179.4384 113 G 3.6278 8.1311 105.1740 47.5833 0.0000 175.3860 114 Q 4.0924 8.1908 120.1848 58.3200 28.6587 178.4527 115 L 3.4559 7.4109 121.8705 57.8975 42.0314 178.9815 116 V 3.4470 7.3660 117.6808 65.8509 31.4630 177.2142 117 E 3.8658 8.4629 119.1840 59.4027 29.4709 178.7896 118 A 4.0628 7.9446 120.0565 55.0884 18.2386 179.4709 119 A 4.0645 7.7603 118.4847 55.1645 18.4256 179.7010 120 I 3.7779 7.2965 117.8134 64.5901 37.3304 178.2801 121 Q 3.8469 7.6322 117.5329 57.4036 28.7276 176.8490 122 A 4.1748 7.2879 121.7758 51.7207 19.3202 176.9159 123 D 4.5339 8.5081 120.2030 56.4285 41.7385 177.6163 124 R 4.6376 7.5798 115.8385 54.1199 34.8293 174.0672 125 L 5.0156 8.6374 124.6237 53.4895 44.1462 175.4643 126 V 4.1376 8.7860 127.5617 61.1467 33.4876 174.2454 127 V 4.8135 8.0506 128.0231 61.2810 33.3233 174.6734 128 F 4.6363 9.4235 126.6738 55.8014 41.3656 173.7118 129 G 4.0408 8.5390 114.8355 45.4084 0.0000 172.2589 130 D 4.5419 8.7024 121.5886 54.4723 41.1692 176.0667 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 8.16 4.53 0.00 1.73 1.66 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 2 K 8.94 4.85 0.00 1.58 1.72 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.45 7.81 3 F 10.08 5.47 0.00 3.04 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 4 A 9.20 5.21 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 L 8.92 5.22 0.00 1.62 1.66 1.09 0.62 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 6 Q 9.03 5.09 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 7 I 8.70 5.12 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.39 1.12 0.00 0.00 8 N 9.40 5.32 0.00 2.68 3.00 0.00 0.00 6.86 8.13 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 9 E 8.12 4.84 0.00 1.92 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 2.53 0.00 10 G 8.63 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 0.00 0.00 0.00 0.00 11 P 0.00 4.47 0.00 2.01 2.20 0.00 3.90 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 2.11 2.15 0.00 12 Y 8.33 4.06 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 13 Q 8.37 4.16 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 14 H 7.70 5.03 0.00 3.15 3.23 0.00 5.86 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.77 3.95 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 16 A 7.54 4.15 1.49 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 0.00 0.00 17 S 8.24 4.31 0.00 4.09 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 18 D 8.06 4.30 0.00 2.91 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 19 S 8.55 4.12 0.00 4.13 4.14 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 20 A 7.92 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.93 2.94 0.00 1.96 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 22 Q 8.13 3.69 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 23 F 8.24 3.86 0.00 3.28 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 24 A 8.18 3.85 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 25 K 7.67 3.41 0.00 1.05 1.37 0.00 1.62 0.00 0.00 1.34 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.26 7.81 26 A 7.65 3.81 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 27 A 7.69 3.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.93 3.94 0.00 1.03 0.26 0.36 0.64 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 29 E 7.91 4.18 0.00 1.88 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 2.41 2.60 0.00 30 K 7.32 4.25 0.00 1.90 1.72 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.48 7.81 31 G 7.82 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 32 H 7.60 4.65 0.00 3.43 3.65 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.16 4.57 0.00 2.14 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 0.00 2.40 2.39 0.00 34 I 8.32 4.88 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.02 0.00 0.00 35 F 9.41 4.33 0.00 3.04 3.27 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 36 R 7.70 4.54 0.00 1.76 1.86 0.00 3.49 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 37 V 8.43 4.63 1.86 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 0.91 0.00 0.00 38 F 9.32 5.02 0.00 3.05 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 39 F 8.72 5.12 0.00 2.87 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 40 Y 8.88 5.30 0.00 3.27 2.87 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 41 H 7.52 3.60 0.00 3.53 2.99 0.00 5.68 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.69 4.66 0.00 2.78 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 43 G 8.51 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 0.00 0.00 0.00 0.00 44 V 7.86 3.70 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 1.11 0.00 0.00 0.94 0.00 0.00 45 N 7.86 4.56 0.00 2.82 2.83 0.00 0.00 7.02 7.62 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 46 N 7.69 4.54 0.00 2.10 2.46 0.00 0.00 6.80 7.12 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 47 S 7.01 2.79 0.00 2.99 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 48 T 7.28 4.41 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 1.19 0.00 0.00 49 R 8.83 4.43 0.00 1.89 2.00 0.00 3.07 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 50 L 7.76 4.46 0.00 1.65 1.71 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.58 4.30 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 1.24 0.00 0.00 52 T 7.82 4.63 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 53 P 0.00 4.29 0.00 1.95 1.60 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 54 P 0.00 4.27 0.00 2.12 1.95 0.00 3.41 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 55 Q 8.64 4.04 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 56 D 7.98 4.72 0.00 2.78 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 57 D 7.60 4.87 0.00 2.57 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 R 8.45 3.98 0.00 1.87 1.89 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 59 H 8.42 4.75 0.00 3.23 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.33 3.47 1.62 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.13 0.94 0.00 0.00 61 V 7.88 3.78 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 1.17 0.00 0.00 0.99 0.00 0.00 62 N 8.35 4.42 0.00 2.59 2.79 0.00 0.00 6.69 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 63 R 8.16 4.18 0.00 1.75 1.65 0.00 2.21 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 64 W 8.28 4.40 0.00 3.83 3.22 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 0.00 65 A 8.38 3.96 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 66 E 8.67 3.99 0.00 2.22 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 2.36 2.63 0.00 67 L 8.29 4.17 0.00 2.18 2.12 0.98 0.80 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 68 A 8.52 4.11 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 69 E 8.14 3.86 0.00 2.07 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 0.00 2.33 2.35 0.00 70 Q 8.06 4.00 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 1.28 2.03 0.00 71 Y 7.97 4.48 0.00 3.09 2.97 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 72 E 8.22 3.84 0.00 2.14 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 2.26 0.00 73 L 7.58 4.24 0.00 1.67 1.62 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.39 4.58 0.00 2.67 2.43 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 75 M 8.30 4.84 0.00 1.80 1.58 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 76 V 9.00 4.88 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 0.86 0.00 0.00 0.98 0.00 0.00 77 V 8.61 4.48 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 0.88 0.00 0.00 0.84 0.00 0.00 78 C 8.31 4.64 0.00 3.43 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 79 V 9.08 3.63 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 0.92 0.00 0.00 0.98 0.00 0.00 80 A 8.10 3.99 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 81 A 8.17 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.22 3.95 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 83 Q 8.21 3.92 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 84 R 7.76 4.04 0.00 1.94 2.05 0.00 3.22 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 85 R 7.70 4.47 0.00 1.82 1.93 0.00 3.15 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 86 G 8.42 3.94 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 0.00 0.00 0.00 87 I 7.58 4.47 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.95 0.80 0.00 0.00 88 V 9.62 4.52 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 1.00 0.00 0.00 0.92 0.00 0.00 89 D 8.41 5.13 0.00 2.77 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 90 E 9.05 4.03 0.00 2.08 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 2.41 2.46 0.00 91 G 8.06 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 92 E 8.77 3.97 0.00 2.25 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 0.00 2.48 2.47 0.00 93 A 8.16 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 94 S 7.96 4.01 0.00 3.94 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 95 R 8.02 4.08 0.00 2.05 1.98 0.00 3.20 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 96 N 8.50 4.83 0.00 2.71 2.83 0.00 0.00 6.98 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 97 G 7.59 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 98 K 8.24 4.54 0.00 1.72 1.73 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.39 1.49 7.81 99 D 8.46 4.72 0.00 2.75 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 0.00 100 A 7.36 4.57 1.21 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 0.00 0.00 101 T 8.17 4.78 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 1.33 0.00 0.00 102 N 8.77 4.92 0.00 2.79 2.97 0.00 0.00 6.97 7.59 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 0.00 103 I 7.52 4.06 1.93 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 1.27 0.68 0.91 0.00 0.00 104 H 9.13 4.49 0.00 3.16 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.35 0.00 2.23 2.19 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 106 K 8.50 4.20 0.00 1.87 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.43 7.81 107 F 8.37 5.08 0.00 2.86 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 0.00 108 R 8.67 4.77 0.00 1.87 2.00 0.00 2.77 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 109 I 8.34 4.76 1.88 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 1.22 0.44 0.92 0.00 0.00 110 S 8.99 4.59 0.00 3.88 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 0.00 111 G 8.68 4.12 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 0.00 112 L 8.61 4.19 0.00 1.79 1.63 0.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.13 3.63 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 0.00 0.00 0.00 114 Q 8.19 4.09 0.00 2.48 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 115 L 7.41 3.46 0.00 0.27 0.97 0.62 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.37 3.45 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 0.90 0.00 0.00 0.78 0.00 0.00 117 E 8.46 3.87 0.00 2.33 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 2.32 2.54 0.00 118 A 7.94 4.06 1.62 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 0.00 0.00 119 A 7.76 4.06 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 0.00 120 I 7.30 3.78 1.95 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 1.46 0.72 0.83 0.00 0.00 121 Q 7.63 3.85 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 122 A 7.29 4.17 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 0.00 123 D 8.51 4.53 0.00 2.37 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 0.00 124 R 7.58 4.64 0.00 1.56 1.84 0.00 3.25 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 125 L 8.64 5.02 0.00 1.58 1.52 0.97 0.83 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 0.00 126 V 8.79 4.14 1.94 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 0.03 0.00 0.00 0.95 0.00 0.00 127 V 8.05 4.81 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 0.88 0.00 0.00 0.95 0.00 0.00 128 F 9.42 4.64 0.00 3.03 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 0.00 129 G 8.54 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 0.00 130 D 8.70 4.54 0.00 2.59 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