NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7133 8.3644 120.5508 54.3466 42.7044 178.2844 3 N 4.5950 9.0117 134.4996 52.7249 38.7198 172.2331 4 S 4.5188 8.8850 113.5813 57.5616 66.4469 174.9937 5 R 4.0612 8.4442 120.2729 59.3423 29.6958 178.7249 6 Y 4.4465 8.2665 120.7454 60.4298 38.8987 177.9330 7 T 3.6892 7.8307 110.4158 65.0784 68.7449 176.3148 8 H 4.3848 8.1421 120.4447 57.9121 28.6087 177.3503 9 F 4.1007 8.4523 122.7779 61.3987 39.2935 177.2915 10 L 4.0126 7.8954 118.7147 58.0220 40.9493 179.6279 11 T 3.9807 7.9622 109.8115 64.7179 68.5133 176.4873 12 Q 4.0875 8.1798 120.0701 57.7261 29.1269 176.2430 13 H 4.8212 8.1446 113.9458 53.8043 31.8443 172.1724 14 Y 5.2260 8.0974 119.2108 56.0421 41.5732 175.2061 15 D 3.9426 8.7543 126.2689 53.2297 43.1712 175.3053 16 A 3.9904 7.9648 127.9288 53.6775 18.5504 177.5943 17 K 4.5916 7.3843 120.6403 53.6365 32.8824 173.7518 18 P 4.3382 0.0000 0.0000 62.2256 32.5029 177.7184 19 Q 4.2439 8.1703 123.7974 54.5527 27.9674 176.2639 20 G 4.0898 7.6015 105.8985 45.2587 0.0000 173.6221 21 R 4.0828 8.2217 123.6521 55.5056 31.1044 175.5722 22 D 4.8866 7.7944 119.1640 52.3234 42.3486 176.0219 23 D 4.4394 8.6611 117.2613 57.9548 40.6490 178.8604 24 R 3.9684 8.0914 118.3344 59.1990 30.0864 178.0255 25 Y 4.0906 8.1636 118.9238 61.0680 38.7559 177.8082 26 C 4.0090 8.0208 117.1510 59.9266 38.5497 175.7836 27 E 3.9958 8.1704 120.2108 59.4989 28.9647 179.5532 28 S 3.8433 8.0085 112.8555 61.3836 62.5216 175.9479 29 I 3.2543 7.4974 121.6709 64.2261 37.4658 177.6592 30 M 3.9413 7.7159 119.4945 58.2340 31.6513 178.8492 31 R 3.8616 7.4494 118.4897 59.5341 30.1276 178.7413 32 R 3.8547 7.8547 116.6517 59.2589 30.1377 177.7218 33 R 4.2923 8.1550 114.6212 55.6050 29.9211 176.3713 34 G 3.9179 7.8401 105.5624 47.2071 0.0000 174.6269 35 L 4.6880 8.2091 116.8879 54.4301 42.0439 178.1117 36 T 4.5885 8.0051 106.3741 61.4281 69.4190 174.3318 37 S 4.6099 7.7534 117.3850 55.8573 62.1824 171.2215 38 P 4.8930 0.0000 0.0000 61.3493 33.5322 176.2786 39 C 4.4847 8.3858 117.7724 57.0265 40.2014 174.3412 40 K 4.2989 8.6961 127.0137 56.2906 32.1028 176.6963 41 D 4.6192 8.9101 126.7768 56.4980 40.4782 175.8367 42 I 5.0173 7.5235 116.0741 59.8934 41.3778 173.7281 43 N 4.7754 8.9332 125.6802 53.0724 42.4394 172.9414 44 T 4.7282 8.9783 123.7280 61.8344 71.0296 173.4736 45 F 5.0000 8.8275 124.8083 55.7891 41.7840 174.6463 46 I 4.5591 8.9426 124.3443 60.4242 39.1382 174.9875 47 H 5.5358 8.5549 123.1710 53.9939 31.6655 174.1712 48 G 3.9449 8.4959 105.8386 44.5650 0.0000 172.6757 49 N 4.8622 8.5478 114.9606 52.1211 38.7554 176.2579 50 K 4.0017 8.7644 119.5267 59.5099 32.1802 179.7705 51 R 3.9363 8.1220 115.9839 59.5764 28.9290 178.9757 52 S 4.2859 8.2949 115.0967 61.1982 63.0419 176.4819 53 I 3.9985 7.3793 120.0906 64.4474 37.0178 178.3831 54 K 3.8107 8.3466 119.2652 59.5665 31.6116 179.1486 55 A 4.0782 8.2704 120.7707 55.0485 17.9773 179.6267 56 I 3.7097 7.7562 117.9591 64.2133 37.3273 176.9078 57 C 4.5865 8.1158 115.6127 55.8061 40.6480 173.6250 58 E 4.2053 7.0187 119.0235 56.6949 29.5275 175.9973 59 N 5.1287 8.1807 116.7176 50.8612 42.4817 174.9112 60 K 4.0670 8.8653 119.2691 59.5998 32.6928 176.0024 61 N 5.1656 7.8210 115.5592 50.6839 39.7824 174.4384 62 G 4.0089 8.4807 109.1143 45.6270 0.0000 173.1375 63 N 4.2853 8.8929 118.5438 52.2463 38.7715 173.3321 64 P 4.1758 0.0000 0.0000 63.6888 31.8819 175.3100 65 H 4.9937 8.3328 118.4806 53.5124 32.8329 173.4646 66 R 4.1061 8.4001 118.1450 55.8895 29.9477 176.0284 67 E 4.4880 8.4445 120.5031 56.6607 30.4973 175.3588 68 N 5.1292 8.8795 121.9004 51.4248 41.5607 172.8933 69 L 4.9816 8.3842 119.5300 54.0348 43.1693 176.5564 70 R 4.7019 8.9182 121.3580 54.5338 34.7980 174.0823 71 I 4.7906 8.2581 123.5491 59.3648 38.3730 176.0669 72 S 4.3520 8.7405 122.6794 58.3482 63.5761 174.9252 73 K 4.0619 8.8099 122.3495 59.1142 32.0567 177.7099 74 S 4.5917 7.7110 111.0999 56.8459 64.7712 173.0554 75 S 4.6331 7.7952 115.9317 57.5364 64.7450 173.4789 76 F 4.9100 8.9216 119.6709 55.7931 43.4772 174.2402 77 Q 5.0953 9.0038 120.6103 55.8120 29.8509 175.4693 78 V 4.9409 9.1048 116.9559 59.8665 36.6879 174.8987 79 T 4.9696 8.5200 117.7290 62.5335 72.6555 173.1490 80 T 4.6447 8.9682 123.7926 62.0186 71.1067 172.8434 81 C 5.1621 8.9315 124.6928 55.5968 37.9945 172.8217 82 K 5.3128 8.9294 123.8051 54.0378 34.6825 175.7064 83 L 4.0426 8.8432 127.4608 55.5981 42.7929 175.6742 84 H 4.6865 8.8202 125.1976 55.6420 32.2698 173.6276 85 G 3.6897 8.8044 113.8215 44.6604 0.0000 173.7523 86 G 3.6968 7.8888 106.4923 45.6782 0.0000 173.7725 87 S 4.0153 7.8289 114.5288 57.6842 63.1097 172.3151 88 P 4.0010 0.0000 0.0000 63.0001 31.8091 175.4898 89 W 5.3571 7.2851 116.7942 53.6058 32.9862 172.8911 90 P 4.4039 0.0000 0.0000 62.4414 31.2339 174.6475 91 P 4.4611 0.0000 0.0000 62.3026 31.4767 176.7990 92 C 4.2966 8.7518 121.9060 56.6969 40.8331 172.9108 93 Q 4.7633 8.3318 123.9823 54.9005 29.9025 174.5542 94 Y 5.3862 9.4566 121.2256 56.2959 42.4363 175.0928 95 R 4.9131 8.9023 118.3138 54.6465 34.4470 174.4202 96 A 5.0601 9.4264 125.7765 51.1569 20.7706 176.8321 97 T 4.5796 8.9292 117.8316 61.6964 71.4547 173.4444 98 A 4.7784 8.7830 128.6303 51.6951 20.1022 176.0780 99 G 4.2731 9.0640 106.6556 45.3735 0.0000 171.9759 100 F 5.5921 8.6139 121.5658 57.1784 41.7563 173.2099 101 R 4.5539 8.8558 122.1912 55.9695 33.1390 173.7923 102 N 5.0729 8.6404 116.9263 52.8535 38.6555 174.7070 103 V 4.6231 8.4596 111.6106 59.5865 36.1815 174.7255 104 V 4.8095 8.2188 122.3327 61.4363 33.7694 174.8663 105 V 5.0428 8.5744 119.5993 59.6846 36.5684 174.1135 106 A 4.9629 8.9041 124.5372 51.1252 21.0023 175.7087 107 C 5.3870 9.1613 118.5172 55.2655 45.4337 172.9662 108 E 4.8394 9.1234 122.3797 55.7171 33.3182 174.6987 109 N 4.2262 9.7662 122.7784 54.4542 36.1978 175.3829 110 G 4.0369 8.4646 103.7741 45.2321 0.0000 174.0505 111 L 4.5262 7.4799 119.6308 51.6047 44.4749 173.9765 112 P 4.6705 0.0000 0.0000 62.7673 31.9224 176.7679 113 V 4.5675 7.8167 114.0235 60.8583 33.1697 175.0346 114 H 4.7068 7.6725 117.3853 55.4408 32.9455 172.0746 115 L 4.8612 8.5788 127.2024 53.7005 43.8953 176.7146 116 D 4.5556 8.9913 125.9258 53.3716 40.2137 176.5736 117 Q 4.3035 8.3661 127.4984 58.5574 29.4650 177.4503 118 S 4.2211 8.0017 115.4441 61.1091 62.6993 176.2328 119 I 3.7298 7.0546 114.0361 62.7745 37.3789 177.1213 120 F 4.5974 7.3833 117.7087 57.9060 39.1194 176.7404 121 R 4.1200 7.8357 118.3485 57.9700 31.0413 179.0168 122 R 3.4437 7.6844 116.1810 56.7848 29.4551 174.2521 123 P 4.4397 0.0000 0.0000 63.8423 31.3580 175.8585 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 2 D 8.36 4.71 0.00 2.83 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 0.00 0.00 0.00 0.00 3 N 9.01 4.60 0.00 2.76 2.53 0.00 0.00 6.89 6.75 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 4 S 8.88 4.52 0.00 4.27 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 5 R 8.44 4.06 0.00 1.94 2.28 0.00 3.18 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 6 Y 8.27 4.45 0.00 2.98 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 7 T 7.83 3.69 4.20 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 1.34 0.00 0.00 8 H 8.14 4.38 0.00 3.44 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.45 4.10 0.00 3.26 3.21 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 10 L 7.90 4.01 0.00 1.77 1.67 0.71 0.14 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 11 T 7.96 3.98 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 1.26 0.00 0.00 12 Q 8.18 4.09 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.13 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 13 H 8.14 4.82 0.00 2.17 2.66 0.00 5.56 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.10 5.23 0.00 2.86 3.02 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 15 D 8.75 3.94 0.00 2.58 2.48 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 16 A 7.96 3.99 1.26 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 17 K 7.38 4.59 0.00 1.66 1.69 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.38 7.81 18 P 0.00 4.34 0.00 1.53 1.21 0.00 3.40 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 1.07 1.75 0.00 19 Q 8.17 4.24 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 20 G 7.60 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 21 R 8.22 4.08 0.00 1.63 1.70 0.00 2.95 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.18 0.00 22 D 7.79 4.89 0.00 2.84 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 23 D 8.66 4.44 0.00 2.75 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 24 R 8.09 3.97 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 25 Y 8.16 4.09 0.00 3.19 3.21 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 26 C 8.02 4.01 0.00 3.19 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 27 E 8.17 4.00 0.00 2.17 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 0.00 2.62 2.52 0.00 28 S 8.01 3.84 0.00 3.83 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 29 I 7.50 3.25 0.78 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.27 0.30 0.00 0.00 30 M 7.72 3.94 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 2.30 0.00 31 R 7.45 3.86 0.00 1.75 2.04 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 32 R 7.85 3.85 0.00 1.81 1.89 0.00 3.11 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 33 R 8.16 4.29 0.00 1.85 1.99 0.00 3.62 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 34 G 7.84 3.92 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 0.00 0.00 0.00 35 L 8.21 4.69 0.00 1.74 1.62 0.86 0.84 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 36 T 8.01 4.59 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 1.36 0.00 0.00 37 S 7.75 4.61 0.00 3.86 3.83 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 0.00 0.00 0.00 38 P 0.00 4.89 0.00 2.15 2.29 0.00 3.87 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 2.00 2.07 0.00 39 C 8.39 4.48 0.00 2.80 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 K 8.70 4.30 0.00 1.97 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.40 7.81 41 D 8.91 4.62 0.00 2.77 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 42 I 7.52 5.02 1.92 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 1.25 0.80 0.94 0.00 0.00 43 N 8.93 4.78 0.00 2.68 2.28 0.00 0.00 7.12 6.57 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 44 T 8.98 4.73 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 0.33 0.00 0.00 45 F 8.83 5.00 0.00 2.97 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 46 I 8.94 4.56 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.95 0.00 0.00 47 H 8.55 5.54 0.00 3.21 3.21 0.00 5.61 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.50 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 49 N 8.55 4.86 0.00 3.07 3.06 0.00 0.00 6.00 7.20 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 50 K 8.76 4.00 0.00 1.82 1.82 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.55 1.50 7.81 51 R 8.12 3.94 0.00 2.06 2.24 0.00 2.99 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 52 S 8.29 4.29 0.00 4.16 4.08 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 53 I 7.38 4.00 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.96 0.95 0.00 0.00 54 K 8.35 3.81 0.00 1.90 1.79 0.00 1.47 0.00 0.00 1.35 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.63 7.81 55 A 8.27 4.08 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 56 I 7.76 3.71 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 0.92 0.00 0.00 57 C 8.12 4.59 0.00 3.15 3.02 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 58 E 7.02 4.21 0.00 2.03 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 2.55 2.29 0.00 59 N 8.18 5.13 0.00 2.83 2.72 0.00 0.00 6.97 7.61 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 60 K 8.87 4.07 0.00 1.84 1.95 0.00 1.41 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.49 7.81 61 N 7.82 5.17 0.00 2.77 2.84 0.00 0.00 5.81 7.00 0.00 0.00 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 G 8.48 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 63 N 8.89 4.29 0.00 2.67 2.69 0.00 0.00 6.87 7.88 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 64 P 0.00 4.18 0.00 1.97 1.99 0.00 3.55 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 2.00 2.10 0.00 65 H 8.33 4.99 0.00 3.07 3.10 0.00 5.71 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 66 R 8.40 4.11 0.00 1.92 1.95 0.00 3.04 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 67 E 8.44 4.49 0.00 2.21 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 2.46 0.00 68 N 8.88 5.13 0.00 2.75 2.82 0.00 0.00 6.92 6.82 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 69 L 8.38 4.98 0.00 1.54 1.63 0.92 0.85 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 70 R 8.92 4.70 0.00 1.69 1.74 0.00 3.22 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 71 I 8.26 4.79 1.87 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 1.38 0.53 0.90 0.00 0.00 72 S 8.74 4.35 0.00 4.25 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 73 K 8.81 4.06 0.00 1.79 1.91 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 74 S 7.71 4.59 0.00 3.77 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 75 S 7.80 4.63 0.00 2.86 2.63 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 76 F 8.92 4.91 0.00 2.85 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 77 Q 9.00 5.10 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 78 V 9.10 4.94 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 0.80 0.00 0.00 1.06 0.00 0.00 79 T 8.52 4.97 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 1.36 0.00 0.00 80 T 8.97 4.64 4.27 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 1.24 0.00 0.00 81 C 8.93 5.16 0.00 2.82 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 82 K 8.93 5.31 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 83 L 8.84 4.04 0.00 1.72 1.50 0.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.82 4.69 0.00 3.12 3.07 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.80 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.89 3.70 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 0.00 0.00 0.00 87 S 7.83 4.02 0.00 3.89 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 88 P 0.00 4.00 0.00 0.49 1.54 0.00 3.41 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 0.49 1.12 0.00 89 W 7.29 5.36 0.00 3.45 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 90 P 0.00 4.40 0.00 2.11 2.07 0.00 3.86 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 91 P 0.00 4.46 0.00 2.19 2.10 0.00 3.81 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 2.00 2.00 0.00 92 C 8.75 4.30 0.00 3.13 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 93 Q 8.33 4.76 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 94 Y 9.46 5.39 0.00 2.79 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 95 R 8.90 4.91 0.00 1.78 1.79 0.00 2.98 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 96 A 9.43 5.06 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 97 T 8.93 4.58 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 98 A 8.78 4.78 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 99 G 9.06 4.27 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 0.00 0.00 0.00 100 F 8.61 5.59 0.00 2.96 3.02 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 0.00 101 R 8.86 4.55 0.00 1.89 2.02 0.00 3.34 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 102 N 8.64 5.07 0.00 2.88 2.86 0.00 0.00 5.75 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 0.00 103 V 8.46 4.62 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 0.79 0.00 0.00 0.75 0.00 0.00 104 V 8.22 4.81 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 1.08 0.00 0.00 0.86 0.00 0.00 105 V 8.57 5.04 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 0.68 0.00 0.00 0.87 0.00 0.00 106 A 8.90 4.96 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 0.00 107 C 9.16 5.39 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 0.00 108 E 9.12 4.84 0.00 2.00 1.70 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 2.19 2.28 0.00 109 N 9.77 4.23 0.00 2.84 2.82 0.00 0.00 7.06 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 0.00 110 G 8.46 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 0.00 111 L 7.48 4.53 0.00 1.48 1.09 0.53 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.67 0.00 0.86 1.75 0.00 3.42 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 113 V 7.82 4.57 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 0.74 0.00 0.00 0.98 0.00 0.00 114 H 7.67 4.71 0.00 3.26 3.13 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.58 4.86 0.00 1.65 1.20 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.99 4.56 0.00 2.76 2.50 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 0.00 117 Q 8.37 4.30 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 118 S 8.00 4.22 0.00 4.08 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 0.00 119 I 7.05 3.73 1.55 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.36 0.74 0.00 0.00 120 F 7.38 4.60 0.00 3.05 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 0.00 121 R 7.84 4.12 0.00 1.94 2.02 0.00 3.32 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 122 R 7.68 3.44 0.00 1.95 1.46 0.00 3.25 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 123 P 0.00 4.44 0.00 2.06 1.97 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00