NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1406 8.0549 114.0564 61.0001 33.0371 175.0269 2 L 4.0337 8.2446 124.1204 52.4127 42.4000 176.0814 3 S 4.5215 9.1972 118.6404 57.6696 66.2947 174.8892 4 E 4.2620 8.7871 122.0318 59.4637 29.2024 178.8670 5 G 3.6623 8.0837 105.3697 47.7982 0.0000 175.4446 6 E 3.9426 8.0749 120.8296 58.9502 29.3928 179.4038 7 W 4.3314 8.2208 119.0609 59.8121 29.0631 178.5317 8 Q 4.1397 8.3654 118.1347 59.0335 28.0350 178.9214 9 L 4.0714 7.8055 120.0801 57.6746 41.6362 179.7703 10 V 3.7837 7.8457 118.0025 66.2894 31.6349 178.2528 11 L 4.2710 8.5882 119.0304 57.7019 41.2538 179.0627 12 H 4.1965 8.5333 118.5770 59.5492 29.9095 177.8636 13 V 3.5584 7.7824 114.3032 63.9568 31.3556 178.4188 14 W 3.8903 8.4619 128.2163 60.2132 30.2791 177.8686 15 A 4.0307 7.9878 120.1515 54.9977 18.0413 179.4731 16 K 3.9459 7.3840 116.7563 59.3983 32.0983 179.6815 17 V 2.9245 7.1846 118.5383 65.6528 31.0305 177.4741 18 E 3.9756 7.6022 115.8425 57.8114 29.3329 178.4218 19 A 4.1848 7.5463 120.9794 53.9910 20.0626 177.7049 20 D 4.6673 7.7864 116.3528 52.1691 42.6493 175.5272 21 V 3.4284 7.8566 123.2183 65.6824 32.0727 176.7292 22 A 4.0586 7.9902 120.1071 55.1537 18.3966 179.6922 23 G 3.4817 8.2095 104.1325 48.2483 0.0000 175.6786 24 H 4.1551 8.2285 118.8778 58.4275 28.7062 178.1362 25 G 3.6054 8.4196 107.9460 47.7821 0.0000 175.7604 26 Q 3.8854 8.0029 120.4170 58.8364 28.7839 178.5808 27 D 4.2660 7.8324 119.5497 57.3700 40.8156 179.0795 28 I 3.6347 7.6862 120.0647 64.4414 37.1032 178.5578 29 L 3.4265 7.7019 119.7080 57.5968 41.3414 179.7135 30 I 3.5740 7.6804 119.9349 64.1802 36.9934 178.4752 31 R 3.8106 7.9556 119.6381 59.1497 29.9227 178.2960 32 L 3.9371 7.7934 120.1402 58.3602 41.7301 179.0937 33 F 4.6130 7.9925 117.7973 60.4787 38.5525 177.8889 34 K 4.1137 8.0270 117.5448 59.3742 32.0285 179.2710 35 S 4.2985 7.9971 114.5419 60.1950 64.1487 174.4417 36 H 4.6657 8.0410 118.2521 51.7047 29.3845 171.5699 37 P 4.4281 0.0000 0.0000 64.7163 30.9553 177.4378 38 E 4.1052 8.2413 115.8960 59.4574 29.3189 179.2117 39 T 3.9099 8.1841 111.3981 64.5478 68.8272 176.3904 40 L 3.6561 7.9037 122.9283 57.8295 41.7833 178.7384 41 E 4.0372 7.7499 116.6412 58.9845 29.4387 178.8024 42 K 4.4104 7.9266 116.4617 56.7825 32.6454 177.3997 43 F 4.6560 8.0660 119.3918 55.5709 39.9228 175.5446 44 D 4.4255 8.5529 125.3746 57.2599 40.5551 178.7376 45 R 3.9268 7.8201 114.5203 57.9008 29.8725 176.8984 46 F 5.0650 7.7091 116.6811 56.9835 40.6396 177.1225 47 K 3.8755 7.6343 120.0037 59.4490 31.9316 177.6622 48 H 4.4118 8.1540 112.3991 56.9496 29.0475 175.2781 49 L 4.0916 7.7026 121.4809 54.6361 41.3063 176.6200 50 K 4.4191 9.4273 123.9266 56.4572 34.0057 176.8903 51 T 4.7252 7.5406 108.1923 59.0166 73.0212 174.2906 52 E 3.9104 8.5988 121.2693 59.2296 29.7544 178.6690 53 A 3.9634 7.9239 120.4636 55.2556 18.2896 179.2944 54 E 3.9469 7.9741 115.9366 59.7611 29.6621 179.2087 55 M 4.1548 8.0006 118.7179 58.3994 31.8333 179.0372 56 K 3.9868 8.2381 117.3674 58.6902 32.2645 178.3992 57 A 4.4837 7.4684 118.5941 51.5808 19.4719 177.0362 58 S 4.2578 7.4487 113.8836 57.5887 62.7205 174.5101 59 E 4.0434 8.8367 129.1411 59.1440 29.4644 177.9763 60 D 4.4414 8.1296 118.0248 57.0888 41.3815 177.8016 61 L 3.7349 8.0789 121.0607 57.8305 41.9302 178.8120 62 K 3.8749 7.8997 119.1818 59.4371 32.0237 178.6424 63 K 3.9752 8.4886 120.2603 59.9335 32.1260 178.4007 64 H 4.4231 8.7162 116.3185 58.2187 28.7808 177.9765 65 G 3.6056 8.1164 108.1809 47.5757 0.0000 176.0529 66 V 3.6533 7.6383 120.7331 65.9618 31.5760 178.1782 67 T 3.8813 7.6194 115.7099 66.6920 68.3579 176.6563 68 V 3.6726 7.8102 119.8844 66.2214 31.5517 178.1504 69 L 4.2912 7.9642 118.3636 58.0386 41.3903 179.6961 70 T 3.9976 8.2896 115.8706 66.4236 68.4448 176.7312 71 A 3.9836 7.9629 122.3367 55.0709 18.3746 179.4521 72 L 3.7319 8.1524 119.0925 58.1007 42.0960 179.4219 73 G 3.2506 8.5179 105.8237 47.5952 0.0000 175.5110 74 A 4.0062 7.7512 122.2353 54.8459 18.6502 179.6648 75 I 3.7708 7.3655 117.7969 64.5551 37.2650 178.5056 76 L 3.9447 7.6993 119.9861 57.7817 41.2181 179.5405 77 K 4.0303 7.6099 116.2362 58.0573 32.2868 178.5266 78 K 4.0015 7.8914 118.4450 55.6493 32.9014 176.3176 79 K 2.0000 8.2639 118.4566 56.4544 29.8010 175.0172 80 G 4.0124 7.8275 105.7864 45.8358 0.0000 173.6749 81 H 4.5506 7.4840 118.8838 55.1049 27.4126 174.8801 82 H 5.4052 7.0874 110.5524 54.5708 29.8197 177.0769 83 E 3.9740 8.6323 121.2031 60.6217 29.0412 178.9093 84 A 4.0645 7.9417 118.4050 55.0981 18.5218 178.9509 85 E 4.1366 8.1181 116.7202 59.0879 29.7104 178.7310 86 L 4.1442 8.2685 120.5236 57.3312 42.2027 178.4107 87 K 3.8367 8.0536 119.9127 59.4172 32.1232 176.8033 88 P 4.2857 0.0000 0.0000 65.3541 31.1523 178.4393 89 L 4.0009 7.4608 118.3961 58.1837 42.0449 178.7809 90 A 4.1391 8.2222 120.8553 55.2962 18.3393 179.4460 91 Q 3.8389 8.1339 116.6549 59.2508 28.8638 179.5113 92 S 3.9976 8.1089 115.0458 61.8444 63.1015 176.1706 93 H 4.3758 8.7561 119.8797 57.8567 28.1950 177.7266 94 A 3.0176 7.8623 123.2701 54.7859 18.1166 179.5725 95 T 3.6160 6.9819 107.6595 62.4507 69.3051 175.7038 96 K 4.1254 7.3872 120.6805 58.3914 33.0198 177.0551 97 H 4.3067 8.0950 114.1958 56.1645 29.4274 175.4188 98 K 3.7652 7.5357 116.6952 56.2486 28.8970 176.0540 99 I 4.1919 8.2036 119.1287 58.7713 38.3425 175.1003 100 P 4.4995 0.0000 0.0000 62.2324 32.1369 177.3395 101 I 3.4101 8.3365 120.8389 64.5783 36.8481 178.3463 102 K 3.6153 7.9147 119.7959 59.8187 31.8623 178.2259 103 Y 4.1655 7.9948 116.8475 60.8407 37.7796 178.2487 104 L 4.1614 7.9527 120.2039 57.4944 41.6813 179.0652 105 E 3.9552 7.8405 119.0999 59.1150 29.7360 178.6475 106 F 4.4916 7.7771 117.9033 60.8535 38.9620 177.5838 107 I 3.8629 8.1786 118.1018 64.0463 37.7418 178.1061 108 S 4.2149 8.2240 116.3219 61.6080 62.6656 176.4352 109 E 4.0898 8.4081 121.0956 59.2749 29.1965 179.2794 110 A 4.0501 8.0182 120.7347 55.1622 18.4733 179.7393 111 I 3.7090 8.0823 118.5130 64.6691 37.3250 178.7874 112 I 3.8658 7.9591 120.6702 64.5253 36.9593 177.9937 113 H 4.1453 8.4289 119.1475 59.3739 29.7935 177.5753 114 V 3.5768 7.9567 120.0356 65.9467 31.3283 178.0165 115 L 3.8317 7.8766 118.8153 57.7252 41.0197 178.9847 116 H 4.4547 7.7858 117.6477 59.2334 29.9446 177.2270 117 S 4.1761 7.8617 114.9418 60.6291 63.0651 175.7528 118 R 4.2258 7.6042 119.7923 56.5040 31.9930 176.1107 119 H 4.9754 7.9403 115.4238 53.5245 29.8789 172.2384 120 P 4.2696 0.0000 0.0000 65.7956 31.8309 179.8921 121 G 3.7148 8.2069 104.7695 47.9806 0.0000 173.6780 122 D 4.9372 8.0071 116.6769 54.0137 41.8235 176.2819 123 F 4.9147 8.0757 120.1336 56.4051 39.3415 174.0209 124 G 3.9069 7.6005 109.6501 43.6152 0.0000 171.9144 125 A 3.8750 8.5029 120.9932 55.3593 18.0609 179.5106 126 D 4.1812 7.9626 116.6165 56.6795 39.4057 178.6091 127 A 3.9205 7.6904 121.8820 54.5559 18.3996 179.2041 128 Q 3.2362 7.8119 118.6396 58.9019 29.0505 178.7558 129 G 3.4726 8.2372 106.9174 47.6434 0.0000 175.5853 130 A 3.8522 7.8451 123.4166 54.9787 18.3389 179.3949 131 M 3.9991 8.2801 117.0156 58.7528 32.3316 177.8530 132 N 4.3050 8.3503 117.2714 56.7263 39.1202 176.9179 133 K 3.8801 8.0555 119.5623 59.4221 32.1529 179.1977 134 A 3.8707 7.9610 120.9969 55.1392 18.2921 179.7461 135 L 4.1087 8.2396 117.6620 57.8512 41.5904 179.5800 136 E 4.0336 8.4691 118.9120 59.0306 29.3533 178.9943 137 L 3.9633 8.0069 120.5327 58.1162 42.2155 178.6379 138 F 4.1966 8.2167 120.4795 61.5548 39.2038 177.1197 139 R 3.5029 8.1073 118.1228 59.0538 29.9617 178.3460 140 K 3.8481 8.3477 119.8960 59.6420 31.9575 178.6112 141 D 4.3766 8.2094 119.2034 57.3467 40.6553 178.8484 142 I 3.5932 7.5723 120.2086 64.0861 36.9834 178.2376 143 A 3.6914 8.0457 121.7505 55.0467 18.1486 179.5661 144 A 3.9632 7.8534 118.7553 55.2549 18.5626 180.0705 145 K 4.0155 7.8779 116.8987 59.7119 32.0941 179.2187 146 Y 4.0881 8.4754 117.3005 60.9966 37.9386 178.5665 147 K 4.0152 8.3739 120.5930 59.4227 32.0737 178.3012 148 E 3.9587 7.9860 118.5829 59.3864 29.7081 178.4053 149 L 4.3464 7.7717 115.9395 55.3916 41.8597 177.7646 150 G 3.7904 7.9569 106.7729 46.1468 0.0000 173.5178 151 Y 4.3935 8.4492 114.9465 57.1055 38.3949 174.5883 152 Q 4.3391 8.3483 122.2592 58.2155 28.1854 176.7471 153 G 3.5953 8.7288 112.3796 45.6231 0.0000 170.4772 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 4.14 2.15 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 0.93 0.00 0.00 0.95 0.00 0.00 2 L 8.24 4.03 0.00 0.79 0.75 0.56 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.20 4.52 0.00 4.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.79 4.26 0.00 2.18 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 2.43 2.52 0.00 5 G 8.08 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.07 3.94 0.00 2.00 1.73 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 2.22 2.26 0.00 7 W 8.22 4.33 0.00 3.58 3.19 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 8 Q 8.37 4.14 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 9 L 7.81 4.07 0.00 1.82 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.85 3.78 2.45 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 1.21 0.00 0.00 0.89 0.00 0.00 11 L 8.59 4.27 0.00 1.84 1.82 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.53 4.20 0.00 3.45 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.78 3.56 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 1.06 0.00 0.00 1.24 0.00 0.00 14 W 8.46 3.89 0.00 3.64 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 15 A 7.99 4.03 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 16 K 7.38 3.95 0.00 1.61 1.64 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.43 7.81 17 V 7.18 2.92 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 0.00 0.00 -0.08 0.00 0.00 0.31 0.00 0.00 18 E 7.60 3.98 0.00 2.03 1.92 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 2.18 2.27 0.00 19 A 7.55 4.18 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 20 D 7.79 4.67 0.00 2.72 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 21 V 7.86 3.43 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 1.05 0.00 0.00 0.88 0.00 0.00 22 A 7.99 4.06 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 G 8.21 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 0.00 0.00 0.00 24 H 8.23 4.16 0.00 3.27 3.22 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 25 G 8.42 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 26 Q 8.00 3.89 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 27 D 7.83 4.27 0.00 2.76 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 28 I 7.69 3.63 1.81 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 1.51 0.73 0.89 0.00 0.00 29 L 7.70 3.43 0.00 1.32 0.86 0.74 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.68 3.57 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.86 0.00 0.00 31 R 7.96 3.81 0.00 1.85 2.04 0.00 3.06 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 32 L 7.79 3.94 0.00 1.76 1.45 1.05 0.97 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 33 F 7.99 4.61 0.00 3.01 2.91 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 34 K 8.03 4.11 0.00 1.71 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 35 S 8.00 4.30 0.00 3.72 3.59 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 36 H 8.04 4.67 0.00 3.01 2.85 0.00 5.64 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 37 P 0.00 4.43 0.00 2.14 2.12 0.00 3.82 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 2.09 2.00 0.00 38 E 8.24 4.11 0.00 2.28 2.28 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 2.20 2.51 0.00 39 T 8.18 3.91 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 0.92 0.00 0.00 40 L 7.90 3.66 0.00 1.36 1.75 0.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.75 4.04 0.00 2.30 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 2.37 2.54 0.00 42 K 7.93 4.41 0.00 1.72 1.60 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.86 7.81 43 F 8.07 4.66 0.00 3.21 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 44 D 8.55 4.43 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.82 3.93 0.00 1.65 1.82 0.00 2.72 0.00 0.00 2.64 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 46 F 7.71 5.06 0.00 2.91 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 47 K 7.63 3.88 0.00 2.04 1.93 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.67 7.81 48 H 8.15 4.41 0.00 3.29 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.70 4.09 0.00 1.62 1.59 0.83 0.66 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 50 K 9.43 4.42 0.00 1.66 1.83 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.50 7.81 51 T 7.54 4.73 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 1.20 0.00 0.00 52 E 8.60 3.91 0.00 2.04 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 2.35 2.35 0.00 53 A 7.92 3.96 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 54 E 7.97 3.95 0.00 2.11 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 2.35 2.35 0.00 55 M 8.00 4.15 0.00 2.05 2.24 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 2.79 2.56 0.00 56 K 8.24 3.99 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.63 7.81 57 A 7.47 4.48 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 58 S 7.45 4.26 0.00 3.84 3.86 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 59 E 8.84 4.04 0.00 2.14 1.96 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 2.40 2.45 0.00 60 D 8.13 4.44 0.00 2.93 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 61 L 8.08 3.73 0.00 1.47 1.65 -0.02 0.24 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 62 K 7.90 3.87 0.00 1.88 1.96 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.49 3.98 0.00 1.97 2.08 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 64 H 8.72 4.42 0.00 3.57 3.57 0.00 5.87 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 65 G 8.12 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 66 V 7.64 3.65 2.29 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 1.04 0.00 0.00 0.99 0.00 0.00 67 T 7.62 3.88 4.50 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 1.27 0.00 0.00 68 V 7.81 3.67 2.15 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 1.13 0.00 0.00 1.14 0.00 0.00 69 L 7.96 4.29 0.00 1.84 1.85 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.29 4.00 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 1.26 0.00 0.00 71 A 7.96 3.98 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 72 L 8.15 3.73 0.00 1.72 1.76 0.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 3.25 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 0.00 74 A 7.75 4.01 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 75 I 7.37 3.77 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 1.53 0.95 0.84 0.00 0.00 76 L 7.70 3.94 0.00 1.15 1.53 -0.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 4.03 0.00 1.66 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.49 7.81 78 K 7.89 4.00 0.00 1.87 1.81 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.74 7.81 79 K 8.26 2.00 0.00 1.28 0.74 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.36 0.73 7.81 80 G 7.83 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 81 H 7.48 4.55 0.00 3.13 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.09 5.41 0.00 3.30 3.46 0.00 5.66 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 83 E 8.63 3.97 0.00 2.09 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 0.00 2.42 2.48 0.00 84 A 7.94 4.06 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 85 E 8.12 4.14 0.00 2.23 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 2.39 2.43 0.00 86 L 8.27 4.14 0.00 1.87 1.78 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.05 3.84 0.00 2.05 1.83 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 88 P 0.00 4.29 0.00 2.23 2.11 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 89 L 7.46 4.00 0.00 1.86 1.85 1.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.14 1.44 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 0.00 0.00 0.00 91 Q 8.13 3.84 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 92 S 8.11 4.00 0.00 3.96 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 93 H 8.76 4.38 0.00 3.45 3.55 0.00 5.80 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 94 A 7.86 3.02 -0.06 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 0.00 0.00 0.00 0.00 0.00 95 T 6.98 3.62 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 0.97 0.00 0.00 96 K 7.39 4.13 0.00 1.57 1.68 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 1.34 7.81 97 H 8.09 4.31 0.00 3.00 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.54 3.77 0.00 1.85 1.83 0.00 1.91 0.00 0.00 2.51 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.33 7.81 99 I 8.20 4.19 2.04 0.00 0.00 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 1.40 0.94 1.08 0.00 0.00 100 P 0.00 4.50 0.00 1.96 2.13 0.00 2.94 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.34 0.00 101 I 8.34 3.41 1.70 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.69 0.00 0.00 102 K 7.91 3.62 0.00 1.72 1.68 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 0.68 7.81 103 Y 7.99 4.17 0.00 3.21 3.06 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 0.00 0.00 0.00 104 L 7.95 4.16 0.00 1.77 1.72 0.59 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.84 3.96 0.00 1.91 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 2.42 2.40 0.00 106 F 7.78 4.49 0.00 3.26 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 0.00 107 I 8.18 3.86 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 1.10 0.00 0.00 108 S 8.22 4.21 0.00 4.20 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.41 4.09 0.00 2.29 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 0.00 2.69 2.62 0.00 110 A 8.02 4.05 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 0.00 111 I 8.08 3.71 2.11 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 1.60 1.21 1.06 0.00 0.00 112 I 7.96 3.87 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.38 1.15 0.00 0.00 113 H 8.43 4.15 0.00 3.41 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.96 3.58 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 0.89 0.00 0.00 0.99 0.00 0.00 115 L 7.88 3.83 0.00 0.67 0.61 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.79 4.45 0.00 3.52 3.54 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.18 0.00 4.02 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 0.00 118 R 7.60 4.23 0.00 1.56 1.54 0.00 2.63 0.00 0.00 2.85 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 119 H 7.94 4.98 0.00 3.20 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.27 0.00 2.17 2.08 0.00 3.59 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 2.08 2.16 0.00 121 G 8.21 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.01 4.94 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 0.00 123 F 8.08 4.91 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 0.00 124 G 7.60 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 0.00 0.00 0.00 125 A 8.50 3.88 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 0.00 126 D 7.96 4.18 0.00 2.82 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 0.00 127 A 7.69 3.92 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 0.00 128 Q 7.81 3.24 0.00 1.42 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 129 G 8.24 3.47 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 0.00 130 A 7.85 3.85 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 0.00 131 M 8.28 4.00 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.88 0.00 132 N 8.35 4.30 0.00 2.96 2.94 0.00 0.00 7.25 6.36 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 0.00 133 K 8.06 3.88 0.00 1.88 1.67 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 7.96 3.87 1.23 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 0.00 0.00 135 L 8.24 4.11 0.00 1.88 1.83 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.47 4.03 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 137 L 8.01 3.96 0.00 1.91 1.99 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.22 4.20 0.00 3.08 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 0.00 139 R 8.11 3.50 0.00 2.09 1.98 0.00 3.10 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 140 K 8.35 3.85 0.00 1.81 2.02 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 141 D 8.21 4.38 0.00 2.86 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 0.00 142 I 7.57 3.59 1.48 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.15 0.43 0.00 0.00 143 A 8.05 3.69 1.27 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 0.00 144 A 7.85 3.96 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 0.00 145 K 7.88 4.02 0.00 2.10 1.96 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.55 7.81 146 Y 8.48 4.09 0.00 3.13 3.07 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 0.00 147 K 8.37 4.02 0.00 1.97 2.00 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.99 3.96 0.00 2.05 2.22 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 2.35 2.38 0.00 149 L 7.77 4.35 0.00 1.98 1.93 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.96 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 0.00 0.00 0.00 151 Y 8.45 4.39 0.00 2.73 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 0.00 152 Q 8.35 4.34 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 153 G 8.73 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