NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3358 8.3044 120.3309 55.0807 34.4619 175.3425 2 V 3.9510 7.3757 130.8645 61.5008 31.7006 172.8564 3 Y 4.2560 8.6538 130.2337 57.0499 40.6046 173.5111 4 Q 4.4508 7.5965 128.1338 54.5887 29.5913 175.2330 5 V 3.8537 7.8812 128.1582 63.0734 31.5639 176.0836 6 K 4.0743 9.4967 130.5282 59.1269 32.6165 175.7045 7 D 4.5776 7.3674 115.4024 51.5389 41.5718 175.0473 8 K 3.9612 8.7518 118.1775 59.9956 31.8385 179.1857 9 A 4.0006 7.9018 119.9547 54.9576 18.7220 178.7095 10 D 4.4176 8.4567 116.7275 57.2747 41.2833 177.9948 11 L 4.0330 8.0593 120.8948 57.5328 42.2553 176.9308 12 D 4.6169 7.5886 117.8142 55.6222 41.6055 175.2550 13 G 4.3284 9.0005 111.4052 46.1577 0.0000 175.7194 14 Q 3.8383 7.5670 118.7737 58.9392 28.8452 178.1581 15 L 4.0378 8.0302 119.0862 57.6702 41.3593 179.4938 16 T 4.0710 7.7163 115.5357 66.5354 68.7100 176.7592 17 K 3.9925 8.6487 121.7087 59.1676 32.2302 178.3856 18 A 3.9603 8.4421 117.9612 51.1508 18.1075 179.8331 19 S 3.5167 8.5141 115.0287 59.6390 65.9573 173.8968 20 G 4.1920 8.9275 105.3948 44.9969 0.0000 171.6733 21 K 4.6940 7.6627 117.0141 54.0534 36.1603 176.0433 22 L 4.1984 8.5678 123.0992 55.1113 43.2517 175.4703 23 V 4.7875 9.0996 126.7088 61.1491 34.0731 174.2100 24 V 4.4214 8.9221 128.4755 61.1594 33.7874 174.1835 25 L 4.6722 8.5163 129.5830 53.4765 43.3388 175.6030 26 D 4.3610 9.1387 126.3958 52.7845 41.8433 174.9609 27 F 4.8941 8.5848 126.5788 56.6691 40.3118 175.3024 28 F 4.8483 9.1108 118.1699 55.5778 42.2237 172.9451 29 A 3.9160 7.6527 118.3254 50.1637 21.5513 177.7886 30 T 3.9963 8.1914 111.4651 63.5198 69.1469 175.1042 31 W 4.6366 7.0710 117.7229 56.0978 28.5923 175.9391 32 C 4.6422 7.4480 120.9718 55.1134 37.8330 173.9537 33 G 3.8378 8.8217 114.9288 47.7485 0.0000 172.7977 34 P 4.4475 0.0000 0.0000 64.7813 30.9709 178.9557 35 C 4.3444 7.9367 117.2313 59.8403 39.9761 175.8403 36 K 3.7378 7.6745 120.1627 58.5305 31.7791 178.7986 37 M 4.2539 7.9919 117.4408 56.9568 32.4807 177.2419 38 I 4.1974 7.5284 117.6129 61.4593 37.9772 177.2268 39 S 4.0911 7.4764 116.0472 61.9336 62.7259 174.4776 40 P 4.2429 0.0000 0.0000 65.7673 31.0756 178.4994 41 K 3.9857 8.0209 117.6306 59.1470 32.0372 178.4231 42 L 3.8478 7.6506 120.3864 58.1603 41.7560 178.8172 43 V 3.5566 7.8353 118.1943 66.1542 31.3771 177.5396 44 E 3.9576 8.2283 118.6252 59.4496 29.5524 178.8150 45 L 4.2002 8.3587 119.3914 57.9074 41.4127 179.4857 46 S 4.2036 8.3547 113.0669 61.3949 62.5951 175.9939 47 T 4.1132 7.7457 112.2573 64.7139 68.6174 176.6835 48 Q 3.9530 8.1367 121.4090 57.7108 28.7359 176.6271 49 F 4.7466 8.1455 118.1025 56.6814 39.9602 175.0130 50 A 4.1107 7.4522 122.7351 53.6945 18.5480 177.2479 51 D 5.1250 8.7678 125.5121 54.2124 37.9527 176.4402 52 N 5.0522 8.2670 112.8319 52.5112 38.8889 173.1878 53 V 5.1790 7.8408 117.9955 61.4710 35.2387 174.7681 54 V 4.4230 9.0362 126.7779 59.9412 34.0646 174.3257 55 V 4.7433 8.4514 125.5882 61.0322 33.5965 173.9613 56 L 4.9462 8.9098 128.5365 52.8139 44.4814 175.4515 57 K 4.7271 8.7043 125.9299 55.1306 34.3223 175.7616 58 V 4.2085 8.7131 126.1794 59.6727 34.2204 174.1864 59 D 4.3881 8.6623 126.6121 53.6542 41.3879 177.2202 60 V 3.6556 8.3754 120.9302 64.2765 31.5079 177.7751 61 D 4.5411 8.9191 120.5353 56.7246 40.9920 177.4475 62 E 4.2419 8.2277 116.8998 57.7501 30.9806 176.3499 63 C 4.9635 8.0768 115.9473 58.2000 28.5763 174.6481 64 E 4.1352 8.0746 122.7140 59.4912 29.6525 178.8953 65 D 4.4385 8.1516 118.7425 56.6962 39.3595 178.7075 66 I 3.9435 7.8385 120.4729 63.9876 37.2391 178.0076 67 A 4.0044 8.0279 121.5301 55.4057 18.2452 179.4239 68 M 3.9817 8.2110 116.7523 58.6823 32.1094 177.9469 69 E 3.9792 8.1096 118.5695 58.9367 29.7709 177.4648 70 Y 4.2456 7.7200 113.6065 56.2005 39.2096 175.2447 71 N 4.0568 7.8561 116.8945 54.5503 37.9030 174.4994 72 I 3.9918 7.5000 117.9863 61.1494 38.3766 176.7659 73 S 4.5657 8.3560 114.6761 58.4175 66.4041 174.2940 74 S 4.8693 7.8685 115.1239 56.7494 64.8744 173.0817 75 M 4.6608 8.2753 121.9222 52.8867 35.1334 173.6210 76 P 4.6632 0.0000 0.0000 62.3265 33.9729 174.6579 77 T 4.7587 7.8320 117.2081 61.7347 71.7181 173.0153 78 F 5.0703 8.6761 124.9656 55.6254 41.5963 174.8148 79 V 4.7250 8.1960 117.0656 59.5060 34.5294 174.5701 80 F 5.2078 9.6834 124.9670 55.9164 40.9497 174.8870 81 L 5.3925 9.1516 124.0550 52.8964 45.3134 175.7367 82 K 4.6685 8.8666 123.2447 55.2013 35.6132 175.9736 83 N 4.2577 9.6221 125.8477 54.5961 35.5986 175.5288 84 G 3.9993 8.4141 104.1604 45.6393 0.0000 173.6974 85 V 4.4577 7.2285 119.2545 60.2423 34.2746 174.4859 86 K 4.5777 8.6100 126.7707 56.8133 32.6150 176.8258 87 V 4.1760 8.9030 119.8426 62.9448 33.1240 175.4147 88 E 4.9369 8.0113 118.9894 56.3489 32.7601 174.3064 89 E 5.5883 8.9385 121.2212 55.8702 32.5763 173.8880 90 F 5.1241 8.8354 117.3899 56.2713 41.5078 172.9799 91 A 5.0548 9.1676 122.7911 50.9599 21.4913 177.2202 92 G 4.1089 8.7856 106.1800 45.9664 0.0000 174.7958 93 A 4.5360 8.2504 125.2343 50.6933 17.3417 176.1860 94 N 4.7508 8.2257 117.8814 51.0407 39.8859 173.8967 95 A 4.0018 8.3892 130.2266 55.0035 18.5767 178.8032 96 K 3.8455 8.0225 117.5279 59.6482 32.2670 178.8506 97 R 3.9123 8.0530 120.3381 58.5202 29.9351 178.0047 98 L 4.2021 7.9749 120.2233 58.4807 42.1059 178.7036 99 E 3.8773 8.1529 119.0143 59.1381 29.6515 178.3293 100 D 4.2805 8.1532 119.1874 57.3926 40.9360 178.7598 101 V 3.3957 7.8131 118.6804 66.0307 30.9221 177.6587 102 I 3.5139 7.2418 118.7348 64.6466 36.7761 178.5031 103 K 3.6889 7.5909 117.0916 59.3765 31.9722 178.9408 104 A 4.2482 8.0021 119.5516 53.4691 18.4669 177.5602 105 N 4.9278 7.7696 114.5325 52.8797 39.6512 174.4531 106 I 3.9010 7.2145 124.0257 61.3412 38.0012 175.3136 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 4.34 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 V 7.38 3.95 2.02 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 0.61 0.00 0.00 0.90 0.00 0.00 3 Y 8.65 4.26 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.60 4.45 0.00 1.78 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 5 V 7.88 3.85 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 0.80 0.00 0.00 0.98 0.00 0.00 6 K 9.50 4.07 0.00 1.92 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.41 7.81 7 D 7.37 4.58 0.00 2.87 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 8 K 8.75 3.96 0.00 2.07 1.88 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.38 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.59 7.81 9 A 7.90 4.00 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 10 D 8.46 4.42 0.00 3.04 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 11 L 8.06 4.03 0.00 1.80 1.87 0.85 1.16 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 12 D 7.59 4.62 0.00 2.93 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 13 G 9.00 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 0.00 0.00 0.00 0.00 14 Q 7.57 3.84 0.00 2.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 15 L 8.03 4.04 0.00 1.68 1.75 1.02 1.24 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 16 T 7.72 4.07 4.37 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 1.21 0.00 0.00 17 K 8.65 3.99 0.00 1.79 1.81 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 18 A 8.44 3.96 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 19 S 8.51 3.52 0.00 4.02 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.93 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.66 4.69 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.36 7.81 22 L 8.57 4.20 0.00 1.94 1.74 1.14 0.85 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 23 V 9.10 4.79 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 0.97 0.00 0.00 0.95 0.00 0.00 24 V 8.92 4.42 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.04 0.00 0.00 25 L 8.52 4.67 0.00 1.43 1.02 0.53 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.14 4.36 0.00 2.87 2.59 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 27 F 8.58 4.89 0.00 2.98 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 28 F 9.11 4.85 0.00 2.97 2.94 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 29 A 7.65 3.92 -0.30 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 30 T 8.19 4.00 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 1.27 0.00 0.00 31 W 7.07 4.64 0.00 3.54 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.45 4.64 0.00 2.26 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.82 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 34 P 0.00 4.45 0.00 2.33 2.37 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 35 C 7.94 4.34 0.00 3.13 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.67 3.74 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 37 M 7.99 4.25 0.00 2.01 2.15 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 2.81 2.60 0.00 38 I 7.53 4.20 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 1.22 0.00 0.00 39 S 7.48 4.09 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.24 0.00 2.15 2.11 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 41 K 8.02 3.99 0.00 1.87 2.01 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.55 7.81 42 L 7.65 3.85 0.00 1.79 1.74 0.87 1.30 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 43 V 7.84 3.56 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 0.93 0.00 0.00 0.92 0.00 0.00 44 E 8.23 3.96 0.00 2.10 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 0.00 2.35 2.37 0.00 45 L 8.36 4.20 0.00 1.88 1.76 0.88 0.83 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 46 S 8.35 4.20 0.00 3.86 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 47 T 7.75 4.11 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 1.28 0.00 0.00 48 Q 8.14 3.95 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.43 0.00 0.00 0.00 0.00 0.00 1.71 2.21 0.00 49 F 8.15 4.75 0.00 3.31 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 50 A 7.45 4.11 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 51 D 8.77 5.12 0.00 2.77 3.10 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 52 N 8.27 5.05 0.00 2.89 3.05 0.00 0.00 5.42 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 53 V 7.84 5.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 54 V 9.04 4.42 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 0.81 0.00 0.00 0.93 0.00 0.00 55 V 8.45 4.74 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 0.96 0.00 0.00 0.93 0.00 0.00 56 L 8.91 4.95 0.00 1.43 1.46 0.90 0.65 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 57 K 8.70 4.73 0.00 1.65 1.48 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.61 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.28 1.49 7.81 58 V 8.71 4.21 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.66 0.00 0.00 0.68 0.00 0.00 59 D 8.66 4.39 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 60 V 8.38 3.66 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 0.82 0.00 0.00 0.93 0.00 0.00 61 D 8.92 4.54 0.00 2.74 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 62 E 8.23 4.24 0.00 1.92 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 0.00 2.39 2.24 0.00 63 C 8.08 4.96 0.00 3.01 2.84 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 64 E 8.07 4.14 0.00 2.03 2.02 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 2.56 2.55 0.00 65 D 8.15 4.44 0.00 2.94 2.96 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 66 I 7.84 3.94 2.16 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 1.68 1.07 1.06 0.00 0.00 67 A 8.03 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 8.21 3.98 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 69 E 8.11 3.98 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 70 Y 7.72 4.25 0.00 2.61 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 71 N 7.86 4.06 0.00 2.75 2.75 0.00 0.00 7.11 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 72 I 7.50 3.99 1.65 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.23 0.73 0.00 0.00 73 S 8.36 4.57 0.00 3.91 3.88 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 74 S 7.87 4.87 0.00 3.86 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 75 M 8.28 4.66 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 76 P 0.00 4.66 0.00 1.47 1.99 0.00 3.66 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 1.94 2.01 0.00 77 T 7.83 4.76 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 1.05 0.00 0.00 78 F 8.68 5.07 0.00 2.08 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 0.00 0.00 0.00 79 V 8.20 4.72 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 80 F 9.68 5.21 0.00 3.02 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 81 L 9.15 5.39 0.00 1.65 1.61 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.87 4.67 0.00 1.81 1.64 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.44 7.81 83 N 9.62 4.26 0.00 2.94 2.90 0.00 0.00 7.18 7.65 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 84 G 8.41 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 0.00 0.00 0.00 85 V 7.23 4.46 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 1.00 0.00 0.00 86 K 8.61 4.58 0.00 1.85 1.76 0.00 1.93 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.84 7.81 87 V 8.90 4.18 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 0.80 0.00 0.00 1.07 0.00 0.00 88 E 8.01 4.94 0.00 2.03 1.78 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 2.32 2.25 0.00 89 E 8.94 5.59 0.00 2.14 1.88 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 2.28 2.32 0.00 90 F 8.84 5.12 0.00 3.15 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 9.17 5.05 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 92 G 8.79 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 93 A 8.25 4.54 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.23 4.75 0.00 2.76 2.62 0.00 0.00 6.93 7.84 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 95 A 8.39 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.02 3.85 0.00 1.81 1.77 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 97 R 8.05 3.91 0.00 1.63 1.40 0.00 2.63 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.12 0.00 98 L 7.97 4.20 0.00 1.94 1.85 0.45 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.15 3.88 0.00 2.09 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 2.40 0.00 100 D 8.15 4.28 0.00 2.77 2.61 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 0.00 101 V 7.81 3.40 1.61 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 -0.34 0.00 0.00 0.82 0.00 0.00 102 I 7.24 3.51 1.59 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 1.53 0.83 0.07 0.00 0.00 103 K 7.59 3.69 0.00 1.89 1.89 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.28 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.77 1.48 7.81 104 A 8.00 4.25 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 0.00 105 N 7.77 4.93 0.00 2.65 2.76 0.00 0.00 6.93 7.05 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 0.00 106 I 7.21 3.90 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 0.96 0.00 0.00