NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2826 8.3044 120.3487 55.3430 32.2022 174.2561 2 R 4.0248 8.2872 127.1048 54.4703 30.3756 174.8762 3 L 4.3875 8.3348 126.4669 53.6512 44.0359 176.6683 4 N 4.3943 8.5758 117.0929 56.5587 38.4943 175.4086 5 T 3.9558 7.9109 110.9117 62.7856 67.3765 174.5318 6 L 4.0897 8.0566 118.3742 55.9573 39.8446 173.9964 7 S 4.7052 7.4841 111.7023 55.6432 65.4588 172.4866 8 P 4.2015 0.0000 0.0000 63.8235 31.5322 177.0968 9 A 4.0610 8.4269 126.7347 53.2563 17.5300 180.3506 10 E 4.2815 8.1670 109.0262 56.7333 29.7677 177.7789 11 G 3.9795 7.6298 111.1057 44.6796 0.0000 171.9156 12 S 3.7494 8.8519 127.3051 57.1904 63.3563 172.2161 13 K 3.9828 8.7259 123.1797 57.2222 31.5589 176.9255 14 K 3.7832 7.7857 119.2643 57.3683 32.1030 176.4301 15 A 4.6122 9.3840 124.1729 51.4781 20.4092 174.3388 16 G 3.1666 9.6673 106.7394 44.4773 0.0000 175.7147 17 K 3.9330 8.2407 122.6822 57.6116 31.5156 176.1632 18 R 4.5805 7.5238 112.8934 54.8682 32.4758 175.3418 19 L 4.7176 8.3652 124.7649 54.1415 42.3442 174.7410 20 G 3.9192 8.0680 109.4799 46.6965 0.0000 171.6982 21 R 4.5368 7.6424 116.8859 54.6336 33.3656 174.9727 22 G 3.8663 7.7729 108.6657 44.8627 0.0000 172.1131 23 I 3.5199 7.9643 125.8245 62.6865 37.0104 177.0732 24 G 3.8150 8.4541 116.1628 44.9245 0.0000 171.5285 25 S 4.3315 8.4606 113.1201 58.8992 63.4059 175.1656 26 G 4.0580 8.3734 108.1261 45.3444 0.0000 174.7871 27 L 4.2878 7.5216 121.1694 52.5398 40.0710 176.1840 28 G 3.9691 7.5383 106.6910 43.9916 0.0000 170.6997 29 K 4.0613 8.9284 126.6332 58.5561 32.2405 177.1076 30 T 4.6744 7.6303 105.4201 59.6124 71.7418 171.7696 31 G 4.1563 8.2129 109.2588 44.5837 0.0000 172.4345 32 G 3.8938 8.5940 105.4229 45.1357 0.0000 173.7232 33 R 4.3406 7.9206 120.3242 54.9758 31.0351 176.2177 34 G 3.8791 8.4729 115.1784 47.2788 0.0000 175.3483 35 H 4.7721 8.4656 111.8326 53.1278 28.9933 171.2155 36 K 3.8948 8.0894 118.8663 58.1551 32.5249 177.9694 37 G 3.8164 8.6240 114.1878 44.6421 0.0000 171.8723 38 Q 4.1219 8.3193 118.3526 56.4302 29.7421 177.4020 39 K 3.9207 8.4050 120.6353 55.8569 30.9599 176.0314 40 S 4.4193 7.9006 112.8602 58.8754 61.4440 175.6031 41 R 4.3773 8.1616 120.8192 57.0350 29.6282 178.1207 42 S 4.4906 8.0404 108.7993 59.0765 67.6567 173.3676 43 G 4.3303 7.7379 108.8102 44.6591 0.0000 173.1146 44 G 3.7150 9.2299 108.1482 49.0239 0.0000 172.8732 45 G 3.9666 9.2399 109.4916 44.6996 0.0000 173.0972 46 V 4.3944 8.2406 115.8740 60.9339 33.4102 175.9108 47 R 4.7392 7.6509 114.7100 54.0634 32.1885 175.5688 48 R 4.0031 8.6927 118.1751 57.8879 30.4452 176.7952 49 G 3.9899 7.8658 106.1460 43.9228 0.0000 171.5118 50 F 5.1591 8.1269 127.2882 56.5641 42.4209 173.7714 51 E 3.8068 7.8524 119.2158 57.0400 29.8375 176.8208 52 G 3.8923 8.1836 107.0094 45.5388 0.0000 172.0060 53 G 3.9087 7.9021 105.3968 45.2481 0.0000 174.3062 54 Q 3.5775 7.4676 119.4844 57.9294 26.0964 175.5408 55 M 4.4993 8.8639 117.2414 54.3726 32.6371 175.5710 56 P 3.9030 0.0000 0.0000 67.2180 32.1200 177.7282 57 L 3.7253 7.2486 120.6574 57.9992 41.8512 178.2925 58 Y 4.5996 6.8426 113.6275 58.0017 38.3732 176.3595 59 R 5.3184 7.2960 126.4392 57.2064 29.2149 175.5467 60 R 4.0358 7.7419 119.3348 59.0925 30.3064 177.5572 61 L 4.1312 7.5344 117.2460 58.0109 40.7191 176.0799 62 P 4.4024 0.0000 0.0000 61.8489 31.9229 175.6133 63 K 4.3122 8.2252 121.2959 55.5372 33.2717 175.8286 64 F 4.6717 7.8636 124.9883 55.7384 42.0542 174.6563 65 G 3.3251 6.4816 115.7701 45.5467 0.0000 173.9139 66 F 4.4553 9.6057 123.6065 59.8179 39.6850 178.3053 67 T 3.5622 6.6600 116.4467 65.0712 64.0634 172.0629 68 S 4.8742 7.4385 119.2441 56.4190 65.8264 174.9097 69 R 4.2195 8.2341 121.8490 55.6142 30.5895 177.4051 70 K 3.9724 8.6289 120.0566 59.1724 32.8792 177.1492 71 A 4.5454 7.5770 120.6668 50.1660 20.7484 176.7271 72 A 4.1586 8.4914 122.6577 54.9024 18.6129 177.7731 73 I 4.5775 7.2201 105.8955 60.5435 40.4705 172.8008 74 T 4.4480 8.4294 113.8331 61.5314 69.9401 172.5184 75 A 3.7979 9.1692 122.2880 54.3164 17.8882 177.6971 76 E 4.3171 7.9191 112.3051 56.8166 31.2261 176.6289 77 I 4.0513 7.3208 125.6171 61.2491 42.5752 175.9189 78 R 4.6831 8.6516 115.5863 54.8657 32.3574 172.6126 79 L 5.1690 7.8809 117.2498 53.1944 44.8928 176.3628 80 S 4.6444 8.5560 110.6126 59.5589 60.6766 173.4769 81 D 4.6329 7.5602 120.6741 53.6835 41.2004 176.1164 82 L 3.9231 7.6276 121.6722 55.4255 41.6834 176.0801 83 A 4.7449 8.4566 129.0898 51.5652 19.5334 177.2745 84 K 3.7921 8.2312 123.7603 61.1072 32.2597 179.1371 85 V 3.4622 7.6386 116.6495 65.0474 31.7294 176.4087 86 E 4.1140 8.1344 117.3636 57.0849 29.7055 177.0576 87 G 3.7543 7.3373 106.7496 45.8562 0.0000 174.8051 88 G 3.9894 8.4939 109.3005 44.9820 0.0000 176.5992 89 V 3.6547 7.6343 111.6884 61.6083 31.0105 176.9074 90 V 3.3800 7.9749 117.7626 63.6677 30.0190 173.6005 91 D 4.1027 7.5991 115.4072 54.4119 40.6073 177.7472 92 L 3.7698 6.6132 120.0455 55.7205 41.5033 173.4309 93 N 3.9254 7.6391 113.7344 52.2854 38.4600 175.6078 94 T 3.6981 8.6198 116.9715 64.2145 67.8117 175.9194 95 L 3.7997 7.5594 120.5126 58.0702 41.8346 177.5752 96 K 4.1864 6.8866 115.5864 54.9339 32.5017 174.8854 97 A 4.6144 8.2138 124.4960 50.4021 21.6765 174.9789 98 A 3.8105 8.2269 119.8744 54.1040 18.0597 178.2202 99 N 4.3771 8.0218 112.9948 55.0388 40.8002 177.7937 100 I 3.1725 8.0312 118.6620 61.0673 35.8703 174.4285 101 I 3.1222 8.7616 124.0970 62.3207 36.9686 174.8460 102 G 3.8412 7.8632 110.9264 44.7255 0.0000 172.7899 103 I 4.5525 7.9446 119.2322 58.5434 39.7936 176.1425 104 Q 4.1403 8.7166 123.4124 57.7623 29.1406 176.3566 105 I 4.0440 7.6909 120.4695 60.4837 37.7386 176.6341 106 E 4.0525 8.9495 123.9850 59.3416 29.5063 177.9225 107 F 3.9094 8.4240 118.9302 58.7177 39.4222 173.6618 108 A 3.6720 7.1400 121.7868 53.0290 17.7256 177.4940 109 K 4.1426 8.0842 122.9644 54.9799 32.7642 176.7134 110 V 3.5882 8.1823 124.3610 61.9741 31.5020 175.4348 111 I 4.6937 7.9241 115.7728 59.2907 40.7444 173.2778 112 L 4.4907 8.0487 118.7983 55.0717 42.8548 174.6859 113 A 4.5276 8.4131 120.7868 52.2912 20.6538 177.8047 114 G 4.3510 7.8118 113.7813 46.5992 0.0000 172.8434 115 E 4.0132 8.0677 122.1776 55.0132 28.6273 176.3296 116 V 3.8422 8.0186 127.3806 61.4863 30.5955 174.1422 117 T 3.9742 8.3584 125.4300 63.2045 67.7286 174.5972 118 T 3.8903 8.5129 116.8535 64.4102 68.5396 173.8717 119 P 4.3571 0.0000 0.0000 62.7160 31.3315 176.1382 120 V 3.6494 7.8429 119.6290 64.0021 31.5491 176.5813 121 T 4.2071 8.4527 119.1288 59.0753 67.3598 171.2194 122 V 3.4581 7.6246 126.5628 63.9567 31.2815 175.4287 123 R 4.4507 9.7485 126.3370 54.3724 32.5023 174.6602 124 G 3.0187 8.5390 106.3177 44.4388 0.0000 173.9684 125 L 4.0981 8.0084 125.1106 56.8272 40.5918 177.8670 126 R 4.6709 8.1676 115.2721 54.7816 31.9893 173.2358 127 V 4.0165 7.4962 115.3455 62.4969 35.1765 182.0511 128 T 2.9914 7.1977 113.8487 63.0768 70.0307 173.3950 129 K 4.3317 8.8098 130.0188 58.3218 34.3807 177.0634 130 G 3.6510 7.9436 106.5064 47.6298 0.0000 175.0341 131 A 3.8496 7.7696 123.6340 55.2279 18.6220 179.9018 132 R 3.9385 7.9724 113.8092 58.7467 30.3116 177.9225 133 A 4.2577 7.3844 118.7598 52.9859 19.2990 177.0055 134 A 4.5342 7.7865 116.7060 52.4033 21.1627 177.2124 135 I 3.9064 7.9914 112.7132 61.7173 38.0811 177.7235 136 E 3.9132 8.2232 120.7407 59.5950 29.4245 178.0101 137 A 4.1330 7.9096 119.2985 54.0382 18.5602 177.8135 138 A 4.5968 8.5630 116.5333 51.0884 20.5441 177.3588 139 G 5.0438 8.8692 117.0306 45.2588 0.0000 173.9452 140 G 3.9880 8.4286 106.2700 46.7718 0.0000 174.1791 141 K 3.9953 7.8804 117.1645 57.3349 32.7037 176.2211 142 I 4.2500 8.1502 111.9685 59.5640 39.8633 176.6904 143 E 3.6139 8.0034 117.8990 56.4509 29.5660 174.1140 144 E 4.2584 8.6759 115.0171 56.9638 29.8239 175.5315 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 4.28 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 R 8.29 4.02 0.00 1.89 1.84 0.00 3.28 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 3 L 8.33 4.39 0.00 1.75 1.61 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.58 4.39 0.00 2.66 2.85 0.00 0.00 6.84 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 5 T 7.91 3.96 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 1.21 0.00 0.00 6 L 8.06 4.09 0.00 1.87 1.76 0.92 0.76 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 7 S 7.48 4.71 0.00 3.68 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 8 P 0.00 4.20 0.00 2.21 2.17 0.00 3.94 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 1.98 1.96 0.00 9 A 8.43 4.06 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 10 E 8.17 4.28 0.00 2.09 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 2.44 2.31 0.00 11 G 7.63 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 0.00 0.00 0.00 12 S 8.85 3.75 0.00 4.03 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 13 K 8.73 3.98 0.00 1.78 1.83 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.41 7.81 14 K 7.79 3.78 0.00 1.76 1.79 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.41 7.81 15 A 9.38 4.61 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 16 G 9.67 3.17 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 0.00 0.00 0.00 17 K 8.24 3.93 0.00 1.87 1.92 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.46 7.81 18 R 7.52 4.58 0.00 2.01 1.86 0.00 3.16 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 19 L 8.37 4.72 0.00 1.56 1.56 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.07 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 21 R 7.64 4.54 0.00 1.71 1.78 0.00 3.27 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 22 G 7.77 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 0.00 0.00 0.00 23 I 7.96 3.52 1.87 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 1.35 0.85 0.91 0.00 0.00 24 G 8.45 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 25 S 8.46 4.33 0.00 3.87 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 26 G 8.37 4.06 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 0.00 27 L 7.52 4.29 0.00 1.64 1.64 0.91 0.85 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 28 G 7.54 3.97 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 0.00 0.00 0.00 29 K 8.93 4.06 0.00 1.75 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 30 T 7.63 4.67 4.21 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 1.18 0.00 0.00 31 G 8.21 4.16 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 0.00 0.00 0.00 32 G 8.59 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 33 R 7.92 4.34 0.00 1.88 1.90 0.00 3.29 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 34 G 8.47 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 0.00 0.00 0.00 35 H 8.47 4.77 0.00 3.05 3.19 0.00 5.91 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 36 K 8.09 3.89 0.00 1.57 1.79 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.55 7.81 37 G 8.62 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 0.00 0.00 0.00 38 Q 8.32 4.12 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 5.78 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 39 K 8.41 3.92 0.00 1.93 2.11 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.45 7.81 40 S 7.90 4.42 0.00 4.06 3.85 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 41 R 8.16 4.38 0.00 1.96 2.12 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 42 S 8.04 4.49 0.00 3.79 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 43 G 7.74 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 44 G 9.23 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 45 G 9.24 3.97 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 0.00 0.00 0.00 46 V 8.24 4.39 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 47 R 7.65 4.74 0.00 1.86 1.87 0.00 3.14 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 48 R 8.69 4.00 0.00 1.82 2.04 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 49 G 7.87 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 0.00 0.00 0.00 50 F 8.13 5.16 0.00 2.77 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 51 E 7.85 3.81 0.00 1.88 1.57 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 0.00 1.47 2.01 0.00 52 G 8.18 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 53 G 7.90 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 54 Q 7.47 3.58 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 55 M 8.86 4.50 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 56 P 0.00 3.90 0.00 2.05 1.92 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 2.17 2.08 0.00 57 L 7.25 3.73 0.00 0.51 1.41 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 6.84 4.60 0.00 3.03 2.99 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 59 R 7.30 5.32 0.00 1.97 2.10 0.00 3.05 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 60 R 7.74 4.04 0.00 1.81 1.99 0.00 3.24 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 61 L 7.53 4.13 0.00 1.73 1.74 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.40 0.00 2.06 2.02 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 63 K 8.23 4.31 0.00 1.72 1.68 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.42 7.81 64 F 7.86 4.67 0.00 2.83 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 65 G 6.48 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 66 F 9.61 4.46 0.00 2.79 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 67 T 6.66 3.56 4.28 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 1.22 0.00 0.00 68 S 7.44 4.87 0.00 3.84 3.78 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 0.00 0.00 0.00 69 R 8.23 4.22 0.00 1.80 1.83 0.00 3.22 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 70 K 8.63 3.97 0.00 1.84 1.92 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 71 A 7.58 4.55 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 72 A 8.49 4.16 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 73 I 7.22 4.58 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.93 0.00 0.00 74 T 8.43 4.45 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 1.26 0.00 0.00 75 A 9.17 3.80 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 76 E 7.92 4.32 0.00 2.00 1.91 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 2.47 2.26 0.00 77 I 7.32 4.05 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.36 0.88 0.00 0.00 78 R 8.65 4.68 0.00 1.89 1.85 0.00 3.02 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 79 L 7.88 5.17 0.00 1.73 1.61 0.92 0.74 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 80 S 8.56 4.64 0.00 4.09 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 81 D 7.56 4.63 0.00 2.82 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 82 L 7.63 3.92 0.00 1.72 1.71 0.91 1.09 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 83 A 8.46 4.74 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 84 K 8.23 3.79 0.00 1.87 1.86 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 85 V 7.64 3.46 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 0.85 0.00 0.00 1.00 0.00 0.00 86 E 8.13 4.11 0.00 2.13 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 2.29 2.36 0.00 87 G 7.34 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 0.00 0.00 0.00 88 G 8.49 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 0.00 0.00 0.00 89 V 7.63 3.65 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 1.01 0.00 0.00 0.97 0.00 0.00 90 V 7.97 3.38 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 0.95 0.00 0.00 1.06 0.00 0.00 91 D 7.60 4.10 0.00 2.94 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 92 L 6.61 3.77 0.00 1.92 1.77 0.89 0.94 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 93 N 7.64 3.93 0.00 2.87 2.68 0.00 0.00 6.59 8.13 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 94 T 8.62 3.70 4.25 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 1.21 0.00 0.00 95 L 7.56 3.80 0.00 1.50 1.73 0.92 0.86 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 96 K 6.89 4.19 0.00 1.64 1.76 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.64 7.81 97 A 8.21 4.61 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 98 A 8.23 3.81 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 99 N 8.02 4.38 0.00 2.67 2.86 0.00 0.00 7.01 7.94 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 0.00 100 I 8.03 3.17 1.87 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 1.18 0.70 0.91 0.00 0.00 101 I 8.76 3.12 1.87 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 1.35 0.94 0.91 0.00 0.00 102 G 7.86 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 0.00 103 I 7.94 4.55 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 0.93 0.00 0.00 104 Q 8.72 4.14 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 105 I 7.69 4.04 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.98 0.00 0.00 106 E 8.95 4.05 0.00 2.11 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 2.37 2.30 0.00 107 F 8.42 3.91 0.00 3.01 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 0.00 108 A 7.14 3.67 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 0.00 109 K 8.08 4.14 0.00 1.54 1.33 0.00 1.39 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.09 1.44 7.81 110 V 8.18 3.59 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 0.72 0.00 0.00 0.90 0.00 0.00 111 I 7.92 4.69 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.89 0.00 0.00 112 L 8.05 4.49 0.00 1.72 1.63 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.41 4.53 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 0.00 114 G 7.81 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.07 4.01 0.00 1.92 1.91 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 2.28 2.35 0.00 116 V 8.02 3.84 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 0.86 0.00 0.00 0.92 0.00 0.00 117 T 8.36 3.97 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 1.21 0.00 0.00 118 T 8.51 3.89 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 1.23 0.00 0.00 119 P 0.00 4.36 0.00 2.06 2.13 0.00 3.73 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 2.02 2.06 0.00 120 V 7.84 3.65 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 0.76 0.00 0.00 0.96 0.00 0.00 121 T 8.45 4.21 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 0.00 122 V 7.62 3.46 2.07 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 0.81 0.00 0.00 0.89 0.00 0.00 123 R 9.75 4.45 0.00 1.80 1.84 0.00 3.56 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 124 G 8.54 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 0.00 0.00 0.00 125 L 8.01 4.10 0.00 1.74 1.80 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.17 4.67 0.00 1.83 1.85 0.00 2.91 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 127 V 7.50 4.02 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 1.03 0.00 0.00 0.93 0.00 0.00 128 T 7.20 2.99 4.25 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 1.22 0.00 0.00 129 K 8.81 4.33 0.00 1.69 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.40 7.81 130 G 7.94 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 0.00 131 A 7.77 3.85 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 0.00 132 R 7.97 3.94 0.00 1.81 2.03 0.00 3.36 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 133 A 7.38 4.26 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 0.00 134 A 7.79 4.53 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.91 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.90 0.00 0.00 136 E 8.22 3.91 0.00 1.96 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 2.29 2.45 0.00 137 A 7.91 4.13 1.35 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 0.00 0.00 0.00 0.00 0.00 138 A 8.56 4.60 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 0.00 139 G 8.87 5.04 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 0.00 140 G 8.43 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 0.00 0.00 0.00 141 K 7.88 4.00 0.00 1.85 1.86 0.00 1.41 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.51 7.81 142 I 8.15 4.25 1.87 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 1.47 0.72 0.92 0.00 0.00 143 E 8.00 3.61 0.00 2.23 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 2.18 2.27 0.00 144 E 8.68 4.26 0.00 2.07 1.94 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 2.17 2.21 0.00