NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9459 8.3393 109.7361 45.8070 0.0000 173.3665 2 S 4.4758 7.8253 122.0984 54.4681 62.5977 170.4752 3 S 4.4595 8.5920 129.0611 58.8981 69.4297 177.7292 4 G 3.5627 8.5447 106.6636 45.8289 0.0000 172.2715 5 S 4.5180 7.4343 111.6758 56.5528 63.9097 173.3697 6 S 4.1548 8.7642 123.5630 59.5501 62.5198 174.5839 7 G 4.0380 6.8691 104.8074 45.3679 0.0000 172.9478 8 K 4.5283 7.8529 120.4327 56.7648 32.8900 177.4704 9 K 4.0927 8.0587 118.5010 54.8686 30.4543 171.0930 10 A 3.7545 7.9262 127.8534 50.5204 18.3529 177.7646 11 K 4.3173 8.8343 123.5671 55.9904 33.2554 177.0288 12 K 4.7605 8.6871 126.1577 56.5184 33.2756 176.8156 13 V 5.1731 9.5594 118.4903 59.7503 36.3687 174.1576 14 R 4.4169 8.6775 125.5158 54.5447 32.0622 174.6040 15 F 5.3955 8.6736 125.1478 56.0917 41.9098 174.6729 16 Y 5.2368 8.5042 120.7776 56.3507 41.5912 174.0711 17 R 4.7094 8.7387 120.5723 54.7973 31.3543 174.8870 18 N 4.1857 8.2303 125.4358 56.1827 39.3438 174.9133 19 G 3.8143 9.9156 117.9724 45.2141 0.0000 172.9470 20 D 4.4658 7.8911 119.3520 53.3801 42.4405 174.2717 21 R 4.1728 8.6548 124.3702 58.2986 30.4343 177.6158 22 Y 4.0087 8.4003 115.5408 60.5458 38.0925 176.8340 23 F 4.5494 7.8993 121.6297 58.2981 39.8909 175.2897 24 K 3.8550 8.0567 127.3661 57.6412 32.2138 177.6645 25 G 4.0224 6.6509 102.9252 44.5648 0.0000 171.9654 26 I 4.4905 8.2002 118.1990 58.8526 40.8303 175.1257 27 V 4.1590 8.3053 128.8326 63.2740 32.8047 174.6269 28 Y 4.7356 8.9770 121.2985 56.6101 42.7642 173.9337 29 A 5.0654 8.9112 126.0385 50.4357 20.6660 176.6350 30 I 4.4868 8.9000 124.4988 61.9338 36.8331 175.4438 31 S 5.0922 8.5410 122.7486 55.7942 65.6294 173.5812 32 P 4.3287 0.0000 0.0000 65.6427 31.2930 177.0661 33 D 4.9724 7.7988 116.4285 54.3435 41.4809 177.2073 34 R 4.2333 8.1146 116.7549 57.2099 33.7838 176.0069 35 F 4.8469 7.9034 117.4096 55.6467 40.3684 175.7158 36 R 4.0813 8.8226 125.6472 58.5367 30.3190 177.0090 37 S 4.8718 7.5804 109.5498 55.6327 66.5725 174.1288 38 F 4.0351 8.7530 120.3859 61.3899 39.0177 176.7152 39 E 3.9513 8.3501 117.8343 59.3208 29.1022 178.9847 40 A 4.0903 7.8497 121.0413 54.9347 18.4489 179.4493 41 L 3.4578 7.4526 118.4791 57.8428 42.0885 178.9810 42 L 3.6326 7.5081 118.9164 57.1839 41.6113 179.2419 43 A 3.9397 7.7444 120.4565 55.2161 18.0908 179.4974 44 D 4.3986 7.9183 117.3321 57.5765 40.9956 178.9541 45 L 3.9154 7.6860 119.4865 58.1648 41.2943 179.8057 46 T 4.2151 7.6579 114.8227 66.3610 68.4217 176.6206 47 R 4.0431 7.7671 119.9791 58.6475 30.0717 177.2660 48 T 4.5946 7.4585 107.1032 62.4333 71.0378 176.0207 49 L 4.1797 8.0455 128.5479 51.7098 40.3597 174.7250 50 S 4.5513 7.7992 110.3499 57.8599 64.8185 175.2329 51 D 4.6544 8.4861 127.3547 52.8906 45.1491 176.1486 52 N 4.2892 8.5945 118.6191 56.5584 39.1433 176.1594 53 V 3.7257 7.6807 116.9418 64.4088 32.1055 175.1150 54 N 4.7034 7.4545 117.7004 52.2271 40.6835 171.3216 55 L 3.6449 8.5141 127.5584 54.6040 38.3562 173.3498 56 P 4.5548 0.0000 0.0000 65.0413 32.0668 178.9975 57 Q 4.1112 7.9651 117.0899 58.2101 29.7144 175.1845 58 G 3.8914 5.9470 103.4135 43.4713 0.0000 172.9631 59 V 4.4770 7.4593 123.4460 60.1187 33.9144 175.2157 60 R 4.6679 8.4094 117.9153 57.6725 36.0275 175.4405 61 T 4.3328 7.9132 116.1021 61.7090 71.1995 173.3906 62 I 4.7944 8.0608 127.7736 59.8425 39.2349 175.1322 63 Y 5.0203 8.7423 126.1120 57.2129 40.0380 175.3222 64 T 4.4744 8.0837 111.1189 61.0078 70.0603 174.9182 65 I 4.1122 8.2376 120.8873 64.1674 38.2094 176.6517 66 D 4.5093 8.1571 119.2628 55.1945 41.1881 176.2001 67 G 2.8480 7.9440 105.8576 46.4555 0.0000 173.8250 68 L 4.3442 7.8750 118.2919 55.2392 43.4124 176.8032 69 K 4.8635 7.7469 117.8436 54.2172 35.8985 174.2600 70 K 4.8418 8.3760 120.6275 54.9515 35.2034 175.9167 71 I 3.9864 8.3971 124.6081 61.2451 37.3999 175.3509 72 S 3.8738 8.5948 118.8997 58.9972 64.3533 173.2779 73 S 4.6403 7.4144 113.2051 56.4862 65.4922 173.3408 74 L 4.3536 8.3827 119.1263 56.6424 41.7409 177.1846 75 D 4.9383 7.9143 117.6011 54.5053 41.2416 177.0392 76 Q 4.4377 7.9243 119.6619 57.0006 30.9444 176.1860 77 L 4.2098 7.6970 116.0849 54.7743 42.2658 175.8505 78 V 4.5185 8.0093 118.2306 60.7324 34.5762 174.5046 79 E 3.9343 8.7470 125.3208 57.1551 30.1019 176.1644 80 G 3.3327 9.2580 116.0719 45.3883 0.0000 170.9311 81 E 4.8755 7.6658 119.2726 55.6376 35.2235 175.2209 82 S 5.1421 8.2252 115.6233 57.3082 66.4687 173.4537 83 Y 5.0410 9.0387 118.9923 56.7209 43.0509 173.9282 84 V 4.7799 9.5346 122.3147 61.5506 34.0639 174.4057 85 C 4.5805 8.8976 125.9614 59.2706 29.0852 173.2484 86 G 4.0961 9.1810 112.0943 45.3517 0.0000 171.3321 87 S 4.9516 8.7168 113.8742 58.0267 70.0800 174.5410 88 I 4.3914 7.8057 121.0463 62.5725 39.4532 176.8451 89 E 4.1520 8.0416 116.4881 55.3478 29.9515 174.8450 90 P 4.5166 0.0000 0.0000 62.0905 32.2632 175.9206 91 F 4.1327 8.5599 121.5959 58.3271 39.8303 174.4749 92 K 4.4393 7.4567 125.5231 54.3474 34.5358 176.1821 93 K 4.4130 8.6024 123.4513 55.5873 31.5381 176.1407 94 L 4.5609 7.9520 122.8013 52.5533 45.2932 177.1053 95 E 4.1955 8.1306 122.5067 55.6120 28.6280 176.0431 96 Y 4.0354 8.1863 124.0454 60.5650 38.2847 177.4849 97 T 3.9715 7.9740 110.1091 64.5231 68.5033 176.0104 98 K 3.7947 8.0891 121.4299 58.4210 32.1166 176.5134 99 N 5.0175 7.8450 115.5041 52.4822 39.3704 175.0239 100 V 4.3619 7.6422 116.3119 63.9407 36.9644 171.5316 101 N 4.2848 8.6850 122.6837 51.6313 38.7809 173.3127 102 P 4.7876 0.0000 0.0000 62.8608 29.7976 176.2663 103 N 4.8627 8.5369 126.5381 53.3397 39.4061 175.0073 104 W 4.7331 8.3170 115.3200 56.6766 30.1008 176.0938 105 S 4.4700 6.5858 113.1887 57.8671 62.8142 174.9790 106 V 4.2484 7.6026 111.9752 62.4442 36.2416 175.4130 107 N 4.6673 7.7618 117.8554 50.7651 39.8224 173.7915 108 V 3.6858 8.3073 122.7553 63.4314 30.6704 175.3449 109 K 4.6068 7.9809 129.6401 55.4828 32.6398 175.7538 110 T 4.1461 7.2982 102.9714 61.0604 70.4013 171.4120 111 S 4.4734 8.3564 117.6516 57.9409 63.1686 174.6154 112 G 4.0650 6.8547 116.4346 46.1756 0.0000 172.2862 113 P 4.3532 0.0000 0.0000 64.0659 32.1386 177.5504 114 S 4.1126 7.8794 113.9366 58.6673 63.0263 173.1819 115 S 4.4699 7.8153 117.4857 56.9592 65.2457 174.1126 116 G 3.4950 8.6835 110.4011 45.5021 0.0000 172.7460 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 G 8.34 3.95 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 0.00 0.00 0.00 2 S 7.83 4.48 0.00 4.03 3.87 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 3 S 8.59 4.46 0.00 3.82 3.87 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 4 G 8.54 3.56 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 0.00 0.00 0.00 5 S 7.43 4.52 0.00 3.79 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 6 S 8.76 4.15 0.00 3.86 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 7 G 6.87 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 8 K 7.85 4.53 0.00 1.69 1.73 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.48 7.81 9 K 8.06 4.09 0.00 1.79 1.76 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.43 7.81 10 A 7.93 3.75 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 11 K 8.83 4.32 0.00 1.81 1.84 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.50 7.81 12 K 8.69 4.76 0.00 1.65 1.97 0.00 1.77 0.00 0.00 2.09 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.41 7.81 13 V 9.56 5.17 1.76 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 0.90 0.00 0.00 0.86 0.00 0.00 14 R 8.68 4.42 0.00 0.90 1.03 0.00 2.21 0.00 0.00 2.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.12 0.00 15 F 8.67 5.40 0.00 2.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 5.24 0.00 2.55 2.69 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 17 R 8.74 4.71 0.00 1.67 1.85 0.00 3.10 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 18 N 8.23 4.19 0.00 3.16 2.79 0.00 0.00 7.56 7.96 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 19 G 9.92 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 0.00 0.00 0.00 20 D 7.89 4.47 0.00 2.66 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 21 R 8.65 4.17 0.00 1.72 1.79 0.00 3.19 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.36 0.00 22 Y 8.40 4.01 0.00 2.99 3.16 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 23 F 7.90 4.55 0.00 3.00 3.15 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 0.00 0.00 0.00 0.00 24 K 8.06 3.86 0.00 1.48 1.68 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 25 G 6.65 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 0.00 0.00 0.00 26 I 8.20 4.49 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.69 1.36 0.00 0.00 27 V 8.31 4.16 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 1.07 0.00 0.00 0.66 0.00 0.00 28 Y 8.98 4.74 0.00 3.02 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 29 A 8.91 5.07 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 30 I 8.90 4.49 1.97 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 1.49 0.94 1.01 0.00 0.00 31 S 8.54 5.09 0.00 3.79 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 32 P 0.00 4.33 0.00 2.06 2.16 0.00 3.69 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 2.06 2.16 0.00 33 D 7.80 4.97 0.00 2.65 2.65 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 34 R 8.11 4.23 0.00 1.84 1.50 0.00 3.21 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.45 0.00 35 F 7.90 4.85 0.00 3.07 2.92 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 36 R 8.82 4.08 0.00 1.85 2.03 0.00 3.16 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 37 S 7.58 4.87 0.00 4.01 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 38 F 8.75 4.04 0.00 3.07 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 39 E 8.35 3.95 0.00 2.08 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 2.43 2.42 0.00 40 A 7.85 4.09 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 41 L 7.45 3.46 0.00 1.05 0.96 -0.24 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.51 3.63 0.00 1.68 1.50 1.03 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.74 3.94 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 44 D 7.92 4.40 0.00 3.15 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 45 L 7.69 3.92 0.00 1.44 1.40 -0.04 -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 0.00 0.00 0.00 0.00 46 T 7.66 4.22 4.32 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 1.18 0.00 0.00 47 R 7.77 4.04 0.00 2.10 2.05 0.00 3.43 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 1.66 1.80 0.00 48 T 7.46 4.59 4.38 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 1.31 0.00 0.00 49 L 8.05 4.18 0.00 1.67 1.63 1.02 1.03 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 50 S 7.80 4.55 0.00 3.78 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 51 D 8.49 4.65 0.00 2.69 2.46 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 52 N 8.59 4.29 0.00 2.64 2.83 0.00 0.00 6.90 7.70 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 53 V 7.68 3.73 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 0.78 0.00 0.00 0.90 0.00 0.00 54 N 7.45 4.70 0.00 2.62 2.53 0.00 0.00 7.16 6.65 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 55 L 8.51 3.64 0.00 1.87 1.87 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.55 0.00 2.16 2.16 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 57 Q 7.97 4.11 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 58 G 5.95 3.89 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 0.00 0.00 0.00 59 V 7.46 4.48 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 0.57 0.00 0.00 0.70 0.00 0.00 60 R 8.41 4.67 0.00 1.69 1.93 0.00 3.12 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 61 T 7.91 4.33 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 0.79 0.00 0.00 62 I 8.06 4.79 1.80 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.56 1.01 0.00 0.00 63 Y 8.74 5.02 0.00 3.29 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 64 T 8.08 4.47 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 1.47 0.00 0.00 65 I 8.24 4.11 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.09 0.94 0.00 0.00 66 D 8.16 4.51 0.00 2.71 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 67 G 7.94 2.85 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.87 4.34 0.00 1.61 1.67 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.75 4.86 0.00 1.85 1.71 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 70 K 8.38 4.84 0.00 1.45 1.91 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.42 7.81 71 I 8.40 3.99 1.85 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 1.29 0.33 0.84 0.00 0.00 72 S 8.59 3.87 0.00 3.58 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 4.64 0.00 3.78 3.72 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 74 L 8.38 4.35 0.00 1.68 1.76 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.91 4.94 0.00 2.65 2.67 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 0.00 0.00 0.00 0.00 76 Q 7.92 4.44 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 77 L 7.70 4.21 0.00 1.60 1.59 0.87 -0.20 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 78 V 8.01 4.52 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 0.75 0.00 0.00 1.03 0.00 0.00 79 E 8.75 3.93 0.00 1.98 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 0.00 2.26 2.31 0.00 80 G 9.26 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 0.00 0.00 0.00 81 E 7.67 4.88 0.00 2.16 1.59 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 2.31 2.31 0.00 82 S 8.23 5.14 0.00 3.75 3.75 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 83 Y 9.04 5.04 0.00 3.13 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 84 V 9.53 4.78 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 1.15 0.00 0.00 1.15 0.00 0.00 85 C 8.90 4.58 0.00 3.07 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 86 G 9.18 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 0.00 0.00 0.00 87 S 8.72 4.95 0.00 3.95 3.72 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 88 I 7.81 4.39 1.89 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 1.37 0.69 0.93 0.00 0.00 89 E 8.04 4.15 0.00 2.09 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 2.32 2.27 0.00 90 P 0.00 4.52 0.00 2.23 2.12 0.00 3.79 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 2.00 1.97 0.00 91 F 8.56 4.13 0.00 2.64 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 92 K 7.46 4.44 0.00 1.58 1.58 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.44 7.81 93 K 8.60 4.41 0.00 1.81 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.65 7.81 94 L 7.95 4.56 0.00 0.56 1.00 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.13 4.20 0.00 1.80 1.76 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 2.21 2.29 0.00 96 Y 8.19 4.04 0.00 2.76 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 0.00 0.00 0.00 0.00 97 T 7.97 3.97 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 1.33 0.00 0.00 98 K 8.09 3.79 0.00 1.77 1.80 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.38 1.50 7.81 99 N 7.85 5.02 0.00 2.63 2.68 0.00 0.00 6.64 7.27 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 0.00 100 V 7.64 4.36 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 0.75 0.00 0.00 0.92 0.00 0.00 101 N 8.69 4.28 0.00 2.91 2.86 0.00 0.00 7.18 8.39 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 0.00 102 P 0.00 4.79 0.00 2.20 2.19 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 103 N 8.54 4.86 0.00 2.70 2.84 0.00 0.00 7.12 7.97 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 0.00 104 W 8.32 4.73 0.00 3.60 3.14 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 0.00 105 S 6.59 4.47 0.00 2.82 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 0.00 106 V 7.60 4.25 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 0.57 0.00 0.00 0.85 0.00 0.00 107 N 7.76 4.67 0.00 2.64 2.73 0.00 0.00 6.82 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 0.00 108 V 8.31 3.69 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 0.77 0.00 0.00 0.94 0.00 0.00 109 K 7.98 4.61 0.00 1.75 1.76 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 110 T 7.30 4.15 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 1.22 0.00 0.00 111 S 8.36 4.47 0.00 3.88 3.89 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 0.00 112 G 6.85 4.07 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 0.00 113 P 0.00 4.35 0.00 2.19 2.20 0.00 3.78 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 1.99 1.95 0.00 114 S 7.88 4.11 0.00 4.00 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 0.00 115 S 7.82 4.47 0.00 3.81 3.75 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 0.00 116 G 8.68 3.50 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 0.00 0.00 0.00