NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 D 4.5887 8.3493 120.1913 53.6915 43.5696 174.9822 20 P 4.4815 0.0000 0.0000 62.3065 32.9530 173.3401 21 K 5.1769 9.0380 122.6250 54.4114 37.0279 176.0417 22 R 5.0638 8.9780 117.1007 53.4573 32.8754 174.6885 23 L 5.0622 8.6997 122.2633 53.5501 43.3650 174.5063 24 Y 4.6902 9.2201 127.0794 56.8668 40.2797 173.5918 25 C 4.2998 8.7139 128.3107 57.6887 32.5594 174.2846 26 K 3.7851 8.3478 128.0390 59.2603 32.4309 176.8254 27 N 4.3944 7.7367 118.7931 51.9629 37.1312 174.0879 28 G 3.8967 8.1657 111.5994 43.6974 0.0000 171.0275 29 G 2.8596 7.2039 106.7227 46.1844 0.0000 173.3676 30 F 4.5268 7.4406 116.8717 55.7222 41.4946 175.4600 31 F 5.2896 9.0986 121.8522 56.1423 40.7733 175.0862 32 L 4.5756 8.8771 126.2644 55.2424 42.6766 175.9647 33 R 4.8426 9.7062 127.2819 54.5388 33.1379 174.3115 34 I 4.5805 8.3055 126.4913 59.8482 39.3545 175.3662 35 H 4.3849 9.2071 125.4013 54.3693 29.4199 175.3172 36 P 4.3285 0.0000 0.0000 65.1769 31.4403 177.6033 37 D 4.3210 8.0141 117.4598 56.3765 41.3760 176.8292 38 G 4.1248 8.2243 105.8156 45.2756 0.0000 173.7143 39 R 4.3364 7.8919 119.5175 55.8743 30.8445 175.4772 40 V 4.9289 8.1166 121.0463 61.2317 34.2419 174.3299 41 D 4.7022 8.5105 124.9293 52.9774 42.5395 174.0077 42 G 4.7281 8.8819 105.2436 45.0417 0.0000 172.9099 43 V 5.0782 9.1949 120.4262 60.3661 34.7098 176.1593 44 R 4.3534 8.9636 120.6919 57.4056 30.8462 176.5473 45 E 4.3522 8.2326 119.1938 55.2425 29.7868 177.6648 46 K 3.7660 8.8293 124.4225 59.5484 32.8159 178.4672 47 S 4.1508 7.9341 112.9796 60.0849 63.1895 173.9197 48 D 4.3503 7.8328 122.1522 53.8898 41.1197 175.4037 49 P 4.2606 0.0000 0.0000 65.7651 31.8409 176.6370 50 H 4.6621 8.8146 116.0105 55.7378 28.5866 176.1092 51 I 4.4057 7.3306 111.6575 60.5338 38.3610 174.9552 52 K 4.4002 7.7020 122.3743 55.9561 32.9916 175.6161 53 L 5.2101 9.1026 125.7274 52.9238 45.3004 175.8734 54 Q 4.7121 9.0843 121.3204 54.3120 31.1147 175.0483 55 L 4.9041 8.5716 125.5610 53.7703 42.4570 176.0890 56 Q 4.7806 8.7749 123.7579 53.8489 31.1573 175.5557 57 A 4.6692 8.6964 126.6676 52.0568 19.2077 175.4188 58 E 4.4905 8.6584 121.7904 56.8214 31.8413 175.3760 59 E 4.6280 7.5229 117.7845 53.3397 32.9223 174.4404 60 R 4.0064 8.5926 122.9392 58.4067 29.9962 176.2813 61 G 4.0295 9.2076 113.1038 45.4419 0.0000 171.4520 62 V 5.0592 8.2263 119.7274 61.0754 34.5109 174.9589 63 V 5.9303 9.4538 119.2537 59.1753 36.8359 174.0898 64 S 5.3990 8.6486 115.5485 55.7808 66.4515 172.9318 65 I 4.8137 8.4380 122.2163 59.6016 39.9866 174.0059 66 K 4.5660 8.8343 129.2216 54.2567 34.9071 175.2719 67 G 3.9459 8.7031 115.5304 45.5122 0.0000 174.0275 68 V 3.5231 8.2998 127.7933 66.2961 31.2076 177.2615 69 C 4.1694 8.1490 117.9873 62.1140 31.7388 174.4196 70 A 4.0115 7.9423 120.8323 53.0913 18.3370 176.3893 71 N 4.1185 8.5241 113.0392 54.6626 37.6917 173.6288 72 R 4.8024 7.2452 113.5011 54.6914 35.6289 174.2755 73 Y 5.0378 9.1626 119.6604 55.9265 40.5462 175.2412 74 L 4.5342 9.1775 126.7403 55.3910 43.4414 175.6037 75 A 5.3168 9.5353 127.1451 50.4361 23.0394 174.1123 76 M 5.2397 8.6925 119.9949 53.8446 34.5066 176.0236 77 K 4.6623 8.9335 125.7920 55.1811 33.5976 177.1861 78 E 3.0933 8.5307 119.8670 57.4105 29.4487 176.5807 79 D 4.7450 8.1414 115.7564 53.6253 40.2555 177.0314 80 G 3.5580 8.1987 109.6545 44.9401 0.0000 173.9338 81 R 4.5072 7.7478 118.9554 55.7309 31.4313 175.2309 82 L 4.9525 7.3269 123.7364 53.1211 44.1825 175.1769 83 L 4.6843 8.5726 124.6966 54.9141 44.4142 173.6543 84 A 5.1992 8.9469 120.9184 50.2082 21.6021 175.2561 85 S 4.6091 9.3034 118.4754 57.1362 63.5756 175.6359 86 K 3.7416 8.9492 126.1558 58.6156 32.2066 176.7303 87 C 4.9655 7.5455 111.3293 55.7888 32.4855 173.4481 88 V 3.5228 7.9418 120.7380 62.3525 31.7928 175.1566 89 T 4.7842 7.8609 116.0587 59.4112 71.8553 173.9358 90 D 4.5626 8.6570 119.7602 55.6906 39.6176 176.7201 91 E 4.2512 8.1366 118.9033 57.0582 29.9055 176.4896 92 C 4.9470 7.7786 116.4595 58.5592 29.6392 172.6674 93 F 4.8901 7.3553 118.4122 55.6207 41.2666 174.5536 94 F 5.2239 9.2724 121.5349 55.5714 43.3817 174.1422 95 F 4.9817 9.9406 122.7596 57.1428 40.0023 174.1983 96 E 4.7100 9.1058 126.3148 54.8220 30.5667 175.1446 97 R 4.6262 8.6021 127.1906 54.3891 33.7429 174.1286 98 L 4.8672 8.5110 127.9977 53.7351 42.4449 175.9241 99 E 4.3769 9.1262 127.2316 55.4461 30.4584 178.3954 100 S 4.1326 8.7656 116.1032 62.0029 62.7348 175.6751 101 N 4.6466 8.1494 114.0152 52.8030 37.4722 174.7940 102 N 4.3798 8.3078 115.1446 54.5063 36.5544 173.2563 103 Y 4.6855 8.1590 115.4294 56.4851 40.9910 174.7009 104 N 6.0999 9.9851 119.8456 51.5818 41.3744 174.2332 105 T 5.3597 8.0730 110.4305 59.1663 72.8393 172.4462 106 Y 5.2012 8.9651 120.0484 56.6087 41.1925 174.0310 107 R 4.9715 8.9371 125.7415 53.9459 32.7112 175.0996 108 S 4.4403 9.3000 121.9895 59.0757 62.7429 175.0640 109 R 3.5298 8.3959 128.3448 59.1042 29.9061 177.7565 110 K 3.7527 7.7893 119.0292 58.5983 32.7970 176.8257 111 Y 4.3323 7.5286 118.8982 55.4990 36.5519 176.3084 112 T 4.0823 7.6042 111.2657 63.1151 69.0849 175.8502 113 S 4.5722 7.6072 115.8645 58.3957 64.0748 173.5710 114 W 5.2872 8.1993 121.5228 55.3552 31.0557 174.9104 115 Y 5.4853 8.7529 121.1158 56.0406 40.4492 175.8032 116 V 4.0526 9.0106 122.6688 63.2652 32.3387 175.1790 117 A 5.1545 8.5540 126.7670 51.1677 22.5832 174.7238 118 L 5.1089 8.2770 118.9322 52.8907 45.0844 177.1091 119 K 4.4139 8.9852 122.4775 55.3155 33.1736 178.0305 120 R 4.4018 8.3295 115.3352 57.7589 29.3922 177.1070 121 T 4.0816 7.5465 112.9806 62.5561 68.0988 175.3046 122 G 2.6822 7.5307 109.3138 44.3119 0.0000 172.8126 123 Q 4.7670 7.0371 118.4194 54.2124 30.6308 175.1253 124 Y 4.6693 8.3751 120.3014 57.0599 39.6873 174.1967 125 K 4.6443 8.7826 122.7394 54.4029 33.9603 176.2964 126 L 4.2643 8.6448 127.0495 55.0782 42.5178 178.1609 127 G 3.6506 8.7195 113.1240 48.7746 0.0000 175.4218 128 S 3.3142 6.8055 111.8675 59.1792 63.0026 174.5564 129 K 4.3676 7.6350 119.6998 56.3318 32.6516 176.2232 130 T 4.4316 7.4751 109.7400 60.1987 70.3153 173.9822 131 G 4.1953 7.9125 110.4906 44.6141 0.0000 170.8262 132 P 4.0671 0.0000 0.0000 63.9432 31.6926 176.9814 133 G 4.0301 8.8433 110.2887 45.4943 0.0000 173.9039 134 Q 4.2482 7.5416 119.3608 55.1604 29.8334 177.3851 135 K 3.7037 8.4730 120.6585 58.9304 32.7382 179.2709 136 A 3.9984 7.9547 121.8341 54.4714 18.5683 178.4526 137 I 4.5422 7.1895 107.4649 61.1487 38.6017 174.9633 138 L 4.6207 7.4229 123.0625 54.2191 42.7502 175.8622 139 F 5.5730 9.7392 122.1386 55.6659 43.9945 173.9665 140 L 4.9266 9.6951 123.5954 52.6713 44.3016 173.6828 141 P 5.1034 0.0000 0.0000 62.9040 31.9098 176.0040 142 M 5.0521 9.4449 124.2600 52.9352 36.0210 175.4330 143 S 4.4802 8.6881 114.9973 58.0104 63.9558 174.6818 144 A 4.4368 7.7215 125.7276 50.6250 16.3923 177.1136 145 K 4.3389 7.4666 116.9633 56.5082 33.7264 175.8159 146 S 3.9890 8.1550 117.1509 58.2715 64.5504 171.3743 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 19 D 8.35 4.59 0.00 2.66 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 20 P 0.00 4.48 0.00 2.20 2.14 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 21 K 9.04 5.18 0.00 1.72 1.74 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.69 7.81 22 R 8.98 5.06 0.00 1.82 1.87 0.00 2.42 0.00 0.00 3.04 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 23 L 8.70 5.06 0.00 1.65 1.69 0.91 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.22 4.69 0.00 3.15 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 25 C 8.71 4.30 0.00 2.60 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 26 K 8.35 3.79 0.00 1.42 1.48 0.00 1.19 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.24 1.16 7.81 27 N 7.74 4.39 0.00 2.69 2.59 0.00 0.00 7.21 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 28 G 8.17 3.90 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 0.00 0.00 0.00 29 G 7.20 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 0.00 0.00 0.00 30 F 7.44 4.53 0.00 2.87 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 31 F 9.10 5.29 0.00 3.13 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 32 L 8.88 4.58 0.00 1.75 1.57 0.91 0.38 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 33 R 9.71 4.84 0.00 1.91 2.06 0.00 3.02 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.61 0.00 34 I 8.31 4.58 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.86 0.00 0.00 35 H 9.21 4.38 0.00 3.10 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.80 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 4.33 0.00 2.03 2.12 0.00 3.59 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 37 D 8.01 4.32 0.00 2.61 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 38 G 8.22 4.12 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 0.00 0.00 0.00 39 R 7.89 4.34 0.00 1.81 1.84 0.00 3.26 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 40 V 8.12 4.93 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 0.82 0.00 0.00 0.87 0.00 0.00 41 D 8.51 4.70 0.00 2.99 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 42 G 8.88 4.73 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 0.00 0.00 0.00 43 V 9.19 5.08 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 0.97 0.00 0.00 1.10 0.00 0.00 44 R 8.96 4.35 0.00 1.75 1.92 0.00 2.90 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.61 0.00 45 E 8.23 4.35 0.00 2.15 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 0.00 2.44 2.40 0.00 46 K 8.83 3.77 0.00 1.75 2.00 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.38 7.81 47 S 7.93 4.15 0.00 3.99 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 48 D 7.83 4.35 0.00 2.70 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 49 P 0.00 4.26 0.00 2.02 2.08 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 50 H 8.81 4.66 0.00 3.32 3.53 0.00 5.78 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 51 I 7.33 4.41 1.88 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 1.46 0.72 1.02 0.00 0.00 52 K 7.70 4.40 0.00 1.67 1.73 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81 53 L 9.10 5.21 0.00 1.71 1.45 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 9.08 4.71 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 55 L 8.57 4.90 0.00 1.56 1.69 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.77 4.78 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 57 A 8.70 4.67 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 58 E 8.66 4.49 0.00 2.13 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 0.00 2.14 2.08 0.00 59 E 7.52 4.63 0.00 1.92 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 2.25 2.20 0.00 60 R 8.59 4.01 0.00 1.83 1.93 0.00 3.35 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 61 G 9.21 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 0.00 0.00 0.00 62 V 8.23 5.06 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 1.01 0.00 0.00 0.84 0.00 0.00 63 V 9.45 5.93 2.32 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 0.86 0.00 0.00 1.22 0.00 0.00 64 S 8.65 5.40 0.00 3.62 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 65 I 8.44 4.81 1.68 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.68 0.00 0.00 66 K 8.83 4.57 0.00 1.52 1.45 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.91 0.21 7.81 67 G 8.70 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 68 V 8.30 3.52 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 0.68 0.00 0.00 0.89 0.00 0.00 69 C 8.15 4.17 0.00 2.89 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 70 A 7.94 4.01 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 71 N 8.52 4.12 0.00 2.74 2.86 0.00 0.00 6.97 7.59 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 72 R 7.25 4.80 0.00 1.67 1.83 0.00 3.28 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 73 Y 9.16 5.04 0.00 2.80 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 74 L 9.18 4.53 0.00 1.62 1.51 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 A 9.54 5.32 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 76 M 8.69 5.24 0.00 2.39 2.30 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.73 0.00 77 K 8.93 4.66 0.00 2.01 1.73 0.00 1.92 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.53 7.81 78 E 8.53 3.09 0.00 1.84 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 2.37 2.40 0.00 79 D 8.14 4.74 0.00 2.75 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 80 G 8.20 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 81 R 7.75 4.51 0.00 1.81 1.88 0.00 3.14 0.00 0.00 3.23 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.54 0.00 82 L 7.33 4.95 0.00 0.27 0.15 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.57 4.68 0.00 1.92 1.69 0.94 0.42 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 84 A 8.95 5.20 1.20 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 0.00 0.00 0.00 85 S 9.30 4.61 0.00 3.91 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 86 K 8.95 3.74 0.00 1.82 1.90 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81 87 C 7.55 4.97 0.00 3.00 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 88 V 7.94 3.52 1.81 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 0.37 0.00 0.00 -0.32 0.00 0.00 89 T 7.86 4.78 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 1.20 0.00 0.00 90 D 8.66 4.56 0.00 2.72 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 91 E 8.14 4.25 0.00 2.11 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 0.00 2.39 2.30 0.00 92 C 7.78 4.95 0.00 2.28 2.60 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 93 F 7.36 4.89 0.00 2.68 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 94 F 9.27 5.22 0.00 3.07 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 95 F 9.94 4.98 0.00 2.90 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 96 E 9.11 4.71 0.00 2.18 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 2.18 1.78 0.00 97 R 8.60 4.63 0.00 1.95 1.75 0.00 3.20 0.00 0.00 3.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 98 L 8.51 4.87 0.00 1.71 1.62 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.13 4.38 0.00 2.39 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 2.50 2.46 0.00 100 S 8.77 4.13 0.00 3.88 3.98 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 0.00 101 N 8.15 4.65 0.00 3.00 3.00 0.00 0.00 6.10 8.04 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 0.00 102 N 8.31 4.38 0.00 2.90 2.91 0.00 0.00 6.79 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 0.00 103 Y 8.16 4.69 0.00 3.24 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 0.00 104 N 9.99 6.10 0.00 2.94 2.48 0.00 0.00 6.41 7.37 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 0.00 105 T 8.07 5.36 4.51 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 1.24 0.00 0.00 106 Y 8.97 5.20 0.00 2.83 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 0.00 107 R 8.94 4.97 0.00 1.57 1.89 0.00 3.18 0.00 0.00 2.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 108 S 9.30 4.44 0.00 4.20 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 3.53 0.00 1.02 1.62 0.00 3.09 0.00 0.00 2.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.22 0.00 110 K 7.79 3.75 0.00 1.46 0.77 0.00 1.51 0.00 0.00 1.13 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.46 1.04 7.81 111 Y 7.53 4.33 0.00 2.93 1.77 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 0.00 112 T 7.60 4.08 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 1.26 0.00 0.00 113 S 7.61 4.57 0.00 3.70 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 0.00 114 W 8.20 5.29 0.00 3.52 3.04 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 0.00 115 Y 8.75 5.49 0.00 3.00 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 0.00 116 V 9.01 4.05 1.83 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 0.47 0.00 0.00 0.51 0.00 0.00 117 A 8.55 5.15 1.33 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 0.00 118 L 8.28 5.11 0.00 1.47 1.49 1.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.99 4.41 0.00 1.63 1.64 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.44 7.81 120 R 8.33 4.40 0.00 1.96 2.04 0.00 3.15 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 121 T 7.55 4.08 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 122 G 7.53 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 0.00 0.00 0.00 123 Q 7.04 4.77 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 124 Y 8.38 4.67 0.00 3.24 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 0.00 125 K 8.78 4.64 0.00 1.76 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 126 L 8.64 4.26 0.00 1.66 1.44 0.83 1.00 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 0.00 127 G 8.72 3.65 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 0.00 0.00 0.00 128 S 6.81 3.31 0.00 3.73 2.93 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 0.00 129 K 7.64 4.37 0.00 1.78 1.82 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.33 7.81 130 T 7.48 4.43 4.44 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 1.32 0.00 0.00 131 G 7.91 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 0.00 0.00 0.00 0.00 132 P 0.00 4.07 0.00 2.07 2.01 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 133 G 8.84 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 0.00 0.00 0.00 134 Q 7.54 4.25 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 135 K 8.47 3.70 0.00 1.71 1.70 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.30 7.81 136 A 7.95 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 0.00 137 I 7.19 4.54 1.74 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.87 0.00 0.00 138 L 7.42 4.62 0.00 1.46 1.30 0.64 0.77 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 0.00 139 F 9.74 5.57 0.00 3.33 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 0.00 140 L 9.70 4.93 0.00 1.95 1.74 0.30 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 5.10 0.00 2.08 2.11 0.00 3.76 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 142 M 9.44 5.05 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.47 0.00 143 S 8.69 4.48 0.00 3.87 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 0.00 144 A 7.72 4.44 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 0.00 145 K 7.47 4.34 0.00 1.66 1.72 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.31 7.81 146 S 8.16 3.99 0.00 4.05 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