NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4417 8.3044 118.1960 54.8934 32.2918 177.0155 5 S 4.1494 9.1259 111.0861 56.6790 64.6380 171.3026 6 L 4.6593 9.5475 130.5687 55.8086 43.5006 174.7262 7 Y 5.2069 9.5178 123.1169 56.3039 43.0172 174.1952 8 R 5.2104 8.9145 120.4140 54.6846 33.8729 173.4106 9 L 5.2592 9.1685 128.1006 53.3303 45.1015 174.7908 10 I 5.1442 8.8592 127.2007 59.7939 40.1057 174.2403 11 Y 5.4156 8.4727 123.3758 55.6815 41.9865 173.7449 12 S 5.4052 9.2857 114.7165 56.9603 66.9476 172.7011 13 S 4.9523 8.9426 114.2300 57.6725 67.2808 172.6306 14 Q 4.8556 8.7405 119.5455 53.8445 30.1265 176.0377 15 G 4.3021 8.9204 112.9246 45.8721 0.0000 173.1691 16 I 4.0531 8.8511 116.9350 60.1505 38.2627 175.1523 17 P 4.2726 0.0000 0.0000 66.0784 31.1496 177.2136 18 N 4.7697 7.9546 112.3166 52.9837 38.6579 174.7387 19 L 3.8519 7.5705 121.4112 56.2053 41.5791 177.9986 20 Q 4.5577 8.7367 123.0303 52.6591 30.0584 171.7583 21 P 4.3107 0.0000 0.0000 67.1341 30.9884 178.4826 22 Q 3.9626 8.0633 118.9837 59.0501 29.1001 177.6840 23 D 4.8058 7.7473 121.4088 56.9894 40.8695 178.8951 24 L 3.9914 7.7901 118.8647 57.3840 41.5981 179.4097 25 K 3.9337 7.8362 119.5325 59.5486 32.3289 178.7172 26 D 4.3889 8.3276 119.2822 56.0087 39.3352 178.5826 27 I 3.6063 7.6091 121.5274 64.2124 37.1183 177.9654 28 L 4.0844 7.7443 124.4922 58.3116 42.0465 179.5349 29 E 4.0269 8.3545 118.3037 61.0244 29.6563 180.9997 30 S 4.3223 8.3559 116.6654 61.6485 62.8696 177.0635 31 S 4.1619 8.1344 116.8072 61.6577 62.4591 176.5184 32 Q 4.1627 8.1148 121.0202 58.3039 28.4924 178.2308 33 R 4.1639 7.7631 116.1013 58.6450 30.2044 178.0329 34 N 4.5788 8.2380 116.8521 55.5602 38.9209 177.1568 35 N 4.4110 8.3748 118.0914 55.8432 38.6428 175.4503 36 P 4.2429 0.0000 0.0000 65.6941 31.2577 178.5256 37 A 4.0413 8.0553 118.4556 54.6430 18.4644 177.6136 38 N 4.6645 7.6284 110.2118 52.7036 38.9279 175.7029 39 G 3.9289 7.9268 105.7047 46.1428 0.0000 173.6654 40 I 4.4535 7.6530 120.5620 60.2247 38.1349 175.3369 41 T 5.1537 9.1319 113.4397 57.8892 72.2913 173.6496 42 G 4.0089 7.2406 106.5891 45.7818 0.0000 170.5238 43 L 4.6088 7.2120 120.0076 53.4794 45.7767 175.0815 44 L 5.0561 9.2130 128.3090 53.3827 44.5555 174.3495 45 C 5.3558 9.5894 126.6274 57.7310 34.9642 171.7421 46 Y 5.0150 9.1245 126.3954 55.9429 41.6153 174.0227 47 S 4.5468 8.5154 123.9941 55.3675 64.9418 173.2485 48 K 3.7482 7.5271 127.0146 53.3248 31.6703 172.0499 49 P 4.6959 0.0000 0.0000 61.8300 32.8354 175.5445 50 A 4.6237 7.9220 123.7272 52.1995 19.8214 176.5806 51 F 5.5044 9.3407 119.4911 55.7528 42.4595 174.7044 52 L 4.9620 9.1657 123.7046 53.4680 45.3621 174.8432 53 Q 4.9285 8.4006 127.1035 54.1060 32.7448 173.8130 54 V 4.8958 8.1758 125.4799 59.9068 34.0822 174.5068 55 L 5.2829 9.0647 124.0361 52.9769 45.1221 175.2918 56 E 5.1765 10.1888 122.7988 53.8858 33.6054 176.0807 57 G 4.1628 8.1554 108.2293 46.2470 0.0000 171.1378 58 E 4.5255 8.2048 120.2319 56.1882 30.4268 176.9523 59 C 3.5545 9.3168 129.4483 63.6473 31.3610 176.9367 60 E 3.9266 8.0713 118.8277 61.1765 29.2117 180.9347 61 Q 4.1843 7.9339 118.0805 58.7660 28.9595 178.5813 62 V 3.6400 8.1419 119.6705 66.0033 31.5088 177.7959 63 N 4.3882 8.3221 116.3173 56.3659 38.3965 176.7505 64 E 3.9369 8.3840 120.8150 59.7627 29.6216 179.0819 65 T 3.8242 8.2784 115.8075 66.7911 68.5273 175.8576 66 Y 3.9884 8.4080 121.7712 61.2716 38.6077 178.0527 67 H 3.8952 8.2110 115.0924 57.8190 29.0356 177.6579 68 R 3.9172 7.6705 120.9479 59.4177 29.9731 178.0404 69 I 3.5418 7.6196 119.6617 64.6917 36.9048 178.2160 70 V 3.2367 7.0431 117.5172 66.0157 31.2626 177.2670 71 Q 4.2437 7.6117 114.2380 55.2123 28.6450 175.4378 72 D 4.4393 7.9279 124.7624 54.3419 41.7504 177.6044 73 E 4.1832 8.7173 122.0541 58.0768 30.1653 175.0273 74 R 4.3821 8.6586 116.1080 57.9454 30.5420 175.3050 75 H 5.3692 7.8552 112.0252 54.9101 31.9742 171.4693 76 H 4.6807 8.9721 113.9402 55.0842 31.7811 172.9091 77 S 3.8607 8.6336 113.6255 59.0846 59.6637 171.3316 78 P 4.6283 0.0000 0.0000 62.7885 32.4881 176.3938 79 Q 4.6534 9.5290 120.4794 54.0821 31.4037 174.8982 80 I 4.1379 8.5426 125.8970 61.6666 37.3146 175.8645 81 I 4.3086 8.7268 127.7935 62.7692 38.7651 175.9429 82 E 4.7473 7.7945 120.8193 55.0307 33.2889 173.6161 83 C 5.3096 8.5398 126.0499 58.3826 34.4185 172.5531 84 M 4.6442 8.7617 122.6254 53.2365 34.5934 172.5799 85 P 4.1426 0.0000 0.0000 62.3121 32.2013 175.7304 86 I 4.6104 8.1072 115.1011 59.1533 40.1538 175.9606 87 R 4.0833 8.7516 122.4275 59.1225 30.3154 177.0081 88 R 4.5153 7.2215 110.3797 55.1593 31.5998 174.5398 89 R 4.4226 8.4090 118.0468 56.3866 30.7980 176.3157 90 N 4.6798 9.7850 116.8434 53.4044 40.6906 175.9889 91 F 5.0780 8.7003 116.5329 56.9858 39.3716 177.1799 92 E 4.0199 8.3805 121.1621 59.1781 28.9938 178.0772 93 V 3.7690 7.3565 110.3360 61.1587 32.2404 175.5944 94 W 5.0559 8.2574 121.1180 54.5389 31.8447 176.2221 95 S 4.3600 9.0225 119.2517 61.4808 62.7574 173.9856 96 M 4.7453 7.5679 116.4472 54.3577 34.9332 173.6296 97 Q 4.7159 8.3919 125.2351 54.1115 32.4851 173.7829 98 A 5.2963 8.4241 125.4438 50.2157 22.2107 175.3791 99 I 4.7190 8.8094 121.5617 59.6099 41.2977 174.4575 100 T 5.0203 8.6150 116.1287 60.0261 71.0011 173.9465 101 V 4.4038 8.5380 125.2120 61.6616 34.0341 173.5302 102 N 4.8518 8.8839 127.8450 52.4075 39.2625 174.3528 103 D 4.4048 8.7018 115.9015 56.9391 41.5157 177.7284 104 L 4.4560 7.6800 116.5327 54.8646 42.2398 176.9255 105 S 4.3550 7.4499 115.0809 58.2896 63.5567 174.9757 106 T 4.1277 8.2003 119.3604 63.4061 70.2473 175.5420 107 E 3.9759 8.8273 122.4943 59.8002 29.3194 179.6541 108 Q 3.9490 8.0309 119.1983 58.9874 29.1511 178.3676 109 V 3.5925 7.6744 118.7231 66.0504 31.9124 177.8145 110 K 3.9492 8.1856 118.2790 60.0878 31.8821 179.4235 111 T 3.9443 8.2261 115.9094 66.5908 68.1308 176.8374 112 L 4.1488 7.5868 119.8392 57.7917 41.6974 179.4337 113 V 3.9707 8.2952 118.4822 65.8692 31.5871 177.9238 114 L 4.1861 7.9286 120.1491 57.8965 41.7144 178.7531 115 K 3.8457 8.0271 118.8355 58.6156 32.0159 176.8128 116 Y 4.6688 6.9201 112.9201 57.0849 38.3392 174.6671 117 S 4.5318 7.5072 113.8839 57.6801 65.9021 175.7955 118 G 3.4002 8.6240 108.7002 47.9450 0.0000 172.9022 119 F 4.9102 7.4766 116.2062 56.4582 43.0679 174.2301 120 T 4.1737 8.7167 117.2415 65.4659 68.5604 175.0886 121 T 4.4892 7.5924 111.5206 59.3559 70.5974 173.9706 122 L 3.9666 8.1994 126.7157 54.9233 42.7752 176.8397 123 R 4.4342 8.0539 123.9229 53.3242 31.7056 173.4572 124 P 4.1625 0.0000 0.0000 65.4194 31.5767 178.9984 125 S 4.1643 8.1291 110.6068 60.1972 62.8783 174.4819 126 A 4.7011 7.9514 122.9949 51.8749 19.0774 175.7582 127 M 4.9621 7.9507 117.0200 54.0831 35.1509 176.0605 128 D 4.7519 8.7692 122.4126 51.7433 42.4732 175.8710 129 P 4.2161 0.0000 0.0000 65.9440 31.2155 178.5912 130 E 3.9836 8.2314 117.4112 59.2241 29.5136 178.7537 131 Q 4.0290 8.8784 118.7564 58.9762 28.7941 178.3045 132 C 4.0894 8.3531 118.1065 62.8006 28.2122 176.0007 133 L 4.0378 8.0147 121.8469 58.2278 41.6368 178.8003 134 N 4.2567 8.0572 116.5311 55.9497 38.3761 176.9534 135 F 3.7520 7.5703 122.2485 61.4157 39.3789 177.3337 136 L 3.8937 7.9755 118.2763 57.6154 41.2024 179.4614 137 L 3.9925 8.2417 118.3420 57.9917 41.9971 179.0174 138 D 4.4830 8.3587 119.1733 57.4484 40.6505 178.7843 139 I 3.5568 7.8013 119.1573 63.7167 37.6406 177.7579 140 A 3.9360 7.8098 120.9676 53.9834 18.2545 177.7129 141 K 4.3584 7.7283 117.3186 57.4288 33.5750 176.5199 142 I 3.6826 7.3338 117.1086 60.9529 39.6220 173.3584 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 4 M 8.30 4.44 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 5 S 9.13 4.15 0.00 4.15 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 6 L 9.55 4.66 0.00 1.87 1.58 1.03 0.91 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 7 Y 9.52 5.21 0.00 2.97 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 8 R 8.91 5.21 0.00 1.91 1.73 0.00 3.15 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 9 L 9.17 5.26 0.00 1.74 1.49 0.49 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.86 5.14 1.87 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 0.67 0.91 0.00 0.00 11 Y 8.47 5.42 0.00 3.24 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 12 S 9.29 5.41 0.00 4.00 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 13 S 8.94 4.95 0.00 4.12 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 0.00 14 Q 8.74 4.86 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 15 G 8.92 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.85 4.05 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 1.06 0.00 0.00 17 P 0.00 4.27 0.00 2.08 2.20 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 18 N 7.95 4.77 0.00 2.72 2.83 0.00 0.00 6.90 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 19 L 7.57 3.85 0.00 1.67 1.62 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.74 4.56 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 21 P 0.00 4.31 0.00 2.25 2.35 0.00 3.67 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 2.03 0.00 22 Q 8.06 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 23 D 7.75 4.81 0.00 2.85 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 24 L 7.79 3.99 0.00 1.73 1.68 0.93 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.84 3.93 0.00 1.84 1.96 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 D 8.33 4.39 0.00 2.92 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 27 I 7.61 3.61 1.94 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.75 0.00 0.00 28 L 7.74 4.08 0.00 1.87 1.79 0.92 1.24 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 29 E 8.35 4.03 0.00 2.02 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 0.00 2.24 2.22 0.00 30 S 8.36 4.32 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.13 4.16 0.00 4.06 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 32 Q 8.11 4.16 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 33 R 7.76 4.16 0.00 2.00 2.06 0.00 3.05 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 34 N 8.24 4.58 0.00 2.82 2.89 0.00 0.00 6.93 6.19 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 35 N 8.37 4.41 0.00 2.96 3.15 0.00 0.00 7.00 8.61 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 36 P 0.00 4.24 0.00 2.17 2.13 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 37 A 8.06 4.04 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 38 N 7.63 4.66 0.00 2.86 2.87 0.00 0.00 7.02 7.53 0.00 0.00 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 7.93 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 0.00 0.00 0.00 40 I 7.65 4.45 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.97 0.00 0.00 41 T 9.13 5.15 4.76 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 1.32 0.00 0.00 42 G 7.24 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 43 L 7.21 4.61 0.00 1.38 0.84 0.75 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.21 5.06 0.00 1.69 1.58 0.88 0.65 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 45 C 9.59 5.36 0.00 3.06 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 46 Y 9.12 5.01 0.00 3.10 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 47 S 8.52 4.55 0.00 3.68 3.46 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 48 K 7.53 3.75 0.00 1.82 1.63 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.06 7.81 49 P 0.00 4.70 0.00 2.09 2.28 0.00 3.55 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 50 A 7.92 4.62 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 51 F 9.34 5.50 0.00 3.13 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 52 L 9.17 4.96 0.00 1.64 1.45 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.40 4.93 0.00 1.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 54 V 8.18 4.90 1.93 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 -0.09 0.00 0.00 0.92 0.00 0.00 55 L 9.06 5.28 0.00 1.64 1.65 1.14 0.71 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 56 E 10.19 5.18 0.00 1.98 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 2.36 2.41 0.00 57 G 8.16 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.20 4.53 0.00 2.04 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 2.45 2.40 0.00 59 C 9.32 3.55 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.07 3.93 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 61 Q 7.93 4.18 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 62 V 8.14 3.64 2.11 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 1.08 0.00 0.00 1.05 0.00 0.00 63 N 8.32 4.39 0.00 2.92 2.92 0.00 0.00 6.68 7.98 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 64 E 8.38 3.94 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 2.31 2.51 0.00 65 T 8.28 3.82 4.46 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 1.25 0.00 0.00 66 Y 8.41 3.99 0.00 2.94 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 67 H 8.21 3.90 0.00 3.12 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.67 3.92 0.00 2.02 1.97 0.00 3.10 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.62 3.54 1.69 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 1.34 0.55 0.84 0.00 0.00 70 V 7.04 3.24 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 0.67 0.00 0.00 0.01 0.00 0.00 71 Q 7.61 4.24 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 72 D 7.93 4.44 0.00 2.74 2.47 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 73 E 8.72 4.18 0.00 2.03 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 2.23 1.90 0.00 74 R 8.66 4.38 0.00 1.90 2.01 0.00 3.04 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 H 7.86 5.37 0.00 3.44 3.45 0.00 5.59 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 76 H 8.97 4.68 0.00 3.34 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.63 3.86 0.00 4.13 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 78 P 0.00 4.63 0.00 2.23 1.95 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 79 Q 9.53 4.65 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.05 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 80 I 8.54 4.14 1.86 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 0.95 0.48 0.80 0.00 0.00 81 I 8.73 4.31 2.03 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 1.13 0.77 0.92 0.00 0.00 82 E 7.79 4.75 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 83 C 8.54 5.31 0.00 2.94 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 84 M 8.76 4.64 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 85 P 0.00 4.14 0.00 1.75 1.76 0.00 3.35 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 86 I 8.11 4.61 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.87 0.00 0.00 87 R 8.75 4.08 0.00 1.81 2.02 0.00 3.39 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 88 R 7.22 4.52 0.00 1.85 1.83 0.00 3.00 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 89 R 8.41 4.42 0.00 1.84 2.09 0.00 3.20 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 90 N 9.79 4.68 0.00 2.08 2.27 0.00 0.00 6.81 8.08 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 91 F 8.70 5.08 0.00 3.40 3.33 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 92 E 8.38 4.02 0.00 2.06 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 2.18 2.24 0.00 93 V 7.36 3.77 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 0.43 0.00 0.00 -0.65 0.00 0.00 94 W 8.26 5.06 0.00 3.57 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.02 4.36 0.00 4.06 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 96 M 7.57 4.75 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 97 Q 8.39 4.72 0.00 1.58 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00 98 A 8.42 5.30 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 99 I 8.81 4.72 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.95 0.91 0.00 0.00 100 T 8.61 5.02 4.31 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 1.39 0.00 0.00 101 V 8.54 4.40 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 1.06 0.00 0.00 1.10 0.00 0.00 102 N 8.88 4.85 0.00 2.81 2.81 0.00 0.00 6.26 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 0.00 103 D 8.70 4.40 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.68 4.46 0.00 1.67 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.45 4.35 0.00 4.02 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 0.00 106 T 8.20 4.13 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 1.25 0.00 0.00 107 E 8.83 3.98 0.00 1.98 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 2.41 2.33 0.00 108 Q 8.03 3.95 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 109 V 7.67 3.59 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 1.10 0.00 0.00 0.94 0.00 0.00 110 K 8.19 3.95 0.00 1.87 1.89 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.65 7.81 111 T 8.23 3.94 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 1.21 0.00 0.00 112 L 7.59 4.15 0.00 1.94 1.96 0.78 1.50 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 0.00 113 V 8.30 3.97 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 1.03 0.00 0.00 1.20 0.00 0.00 114 L 7.93 4.19 0.00 2.04 1.82 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.03 3.85 0.00 1.82 1.76 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.68 1.21 7.81 116 Y 6.92 4.67 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 0.00 117 S 7.51 4.53 0.00 3.95 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 0.00 118 G 8.62 3.40 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 0.00 119 F 7.48 4.91 0.00 2.97 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 0.00 120 T 8.72 4.17 4.31 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 1.24 0.00 0.00 121 T 7.59 4.49 4.16 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 0.00 0.00 0.00 1.15 0.00 0.00 122 L 8.20 3.97 0.00 1.42 1.44 -0.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.05 4.43 0.00 1.85 1.78 0.00 3.18 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 124 P 0.00 4.16 0.00 2.15 2.07 0.00 3.54 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 125 S 8.13 4.16 0.00 3.98 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 0.00 126 A 7.95 4.70 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 0.00 127 M 7.95 4.96 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 128 D 8.77 4.75 0.00 2.92 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 0.00 129 P 0.00 4.22 0.00 2.18 2.16 0.00 3.61 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 2.12 2.28 0.00 130 E 8.23 3.98 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 131 Q 8.88 4.03 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 132 C 8.35 4.09 0.00 3.11 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 0.00 133 L 8.01 4.04 0.00 1.80 1.73 1.10 0.59 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 0.00 134 N 8.06 4.26 0.00 2.53 2.48 0.00 0.00 6.64 8.29 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 0.00 135 F 7.57 3.75 0.00 2.84 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 0.00 136 L 7.98 3.89 0.00 2.06 1.80 0.88 0.70 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 0.00 137 L 8.24 3.99 0.00 1.73 1.69 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.36 4.48 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.80 3.56 1.16 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.67 0.00 0.00 140 A 7.81 3.94 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.36 0.00 1.97 1.94 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.50 7.81 142 I 7.33 3.68 1.88 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 1.18 0.63 0.95 0.00 0.00