NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3660 8.0333 117.3316 63.4328 70.7160 172.5703 2 E 4.6433 8.7793 125.3869 55.0828 29.9581 174.7843 3 L 4.5856 9.0253 126.3680 54.1182 43.9538 176.1890 4 T 4.4821 8.0535 109.9925 60.3952 71.0765 175.7495 5 K 3.1464 8.8271 122.8392 60.0665 31.9867 179.5442 6 C 4.2491 8.0018 115.9840 59.5918 39.1224 175.9525 7 K 3.8288 8.3118 120.5743 59.4239 31.7023 179.2248 8 V 3.4205 7.5504 118.3221 66.2500 31.1353 178.0508 9 S 4.1097 8.0241 113.4706 62.0447 62.8519 176.3082 10 H 4.4027 8.3210 118.6293 58.9307 28.2699 177.8236 11 A 4.0677 8.2749 121.8997 54.0431 18.3014 178.6911 12 I 4.2617 7.4773 110.0134 60.8213 38.0274 177.1908 13 K 3.7779 7.6823 124.5366 60.3893 31.5788 177.9601 14 D 4.3316 8.0436 116.9716 56.9418 41.3819 176.7053 15 I 3.8098 7.9317 118.5835 61.8544 38.3133 174.8797 16 D 4.5530 7.6644 120.2861 56.3307 41.3671 176.7288 17 G 4.0429 9.3942 114.8573 45.6383 0.0000 172.6498 18 Y 4.1745 8.2015 122.5316 58.7849 39.0552 175.6667 19 Q 2.9425 8.9540 126.2487 56.8352 27.5770 173.6091 20 G 3.8742 8.2979 101.9316 45.4501 0.0000 173.5600 21 I 4.3962 7.6198 121.3718 59.3079 38.6371 176.1290 22 S 5.0241 9.0705 121.3493 57.6259 65.3395 175.1364 23 L 4.2310 8.4046 123.2018 58.1074 41.7067 179.1004 24 L 4.1717 7.9715 118.8432 57.8430 41.6929 179.0591 25 E 3.9128 8.1796 118.3555 59.0569 29.2836 179.5076 26 W 3.9300 8.1357 118.7845 59.6628 29.2805 178.2569 27 A 4.0809 8.4936 121.1730 55.3930 17.6474 178.8599 28 C 2.0000 7.5400 116.5900 58.8345 43.2583 175.7486 29 V 3.4954 7.8536 119.9849 66.2321 31.0376 178.0363 30 L 4.0153 8.7089 119.0460 57.5203 41.4027 179.2747 31 F 2.9525 7.8171 120.3218 61.3165 39.0949 176.8071 32 H 4.1526 7.5346 113.6130 58.0189 28.6312 177.6350 33 T 4.2308 7.5366 117.7547 65.7342 68.3847 175.5793 34 S 4.4308 7.8117 111.0876 56.7706 64.6880 174.7248 35 G 3.1598 8.1241 108.4330 46.5267 0.0000 173.6852 36 Y 3.7416 7.6315 113.9114 58.5803 35.4267 168.6291 37 D 5.0609 7.7763 121.0999 52.9899 41.0628 177.2043 38 T 4.1280 8.9852 118.5899 63.6156 68.8661 175.5594 39 Q 4.4500 8.3632 120.1711 55.4061 29.5507 175.2897 40 A 4.1290 8.0341 121.7552 52.4629 19.5082 177.4383 41 V 4.5964 8.2814 121.1802 61.0846 34.2776 174.7491 42 V 4.4583 8.5685 127.4435 61.0549 34.9385 173.7743 43 N 5.1191 8.6218 124.7265 52.7095 40.8512 174.5738 44 D 4.2045 9.3601 124.8759 53.8462 42.6275 173.8985 45 N 4.0515 9.4622 119.0701 54.1750 35.3974 174.7138 46 G 3.9070 8.1827 114.1047 46.3316 0.0000 171.0242 47 S 4.8209 8.2514 115.4698 56.8519 65.9818 172.7453 48 T 5.0573 9.1636 117.9757 61.9234 72.0525 172.9818 49 E 5.2898 9.1663 125.3504 54.8446 32.6601 174.4925 50 Y 4.9590 9.3790 121.7521 57.3899 41.3599 177.6382 51 G 4.3812 9.2131 112.5824 44.6534 0.0000 173.1253 52 L 3.9351 8.7980 118.9953 57.4472 41.7032 178.9340 53 F 4.6491 8.4579 113.0015 57.3330 40.0020 175.2272 54 Q 3.6182 8.0021 119.3895 57.0650 26.5924 174.0327 55 I 4.2573 8.1751 119.0569 61.1255 39.2163 177.2766 56 S 5.3572 9.3050 122.6642 57.8461 63.5258 174.2083 57 D 5.0177 9.2730 125.3135 54.1870 39.3158 177.4711 58 R 4.1492 8.3806 120.4740 59.0657 30.3527 177.1734 59 F 4.8286 7.9097 112.8616 57.2114 41.9936 176.5498 60 W 4.5160 8.3059 119.9832 57.9804 29.6560 173.4413 61 C 5.4321 7.8708 110.8395 53.3437 43.7763 172.9430 62 K 4.5607 8.9196 122.0568 55.3537 32.9697 175.7664 63 S 5.0940 8.5196 121.6555 56.3577 65.5555 174.2905 64 S 4.3532 8.7013 114.0748 60.8127 63.2242 175.3452 65 E 4.2525 8.2195 118.8466 58.1715 29.9777 177.0251 66 F 5.3278 7.8615 121.0062 56.5891 39.9049 172.7987 67 P 4.3220 0.0000 0.0000 64.2406 31.8703 177.0425 68 E 4.1627 7.5920 117.4192 55.5004 29.6571 175.7218 69 S 3.3815 6.2087 112.0315 58.4091 62.7489 174.3218 70 E 3.8584 8.6336 124.4038 57.5969 29.3523 176.6130 71 N 4.2334 7.9639 116.3048 53.8834 37.8994 175.5213 72 I 3.6683 7.7337 119.2872 64.8097 37.5922 177.4572 73 C 4.4308 8.5290 115.9175 57.3197 40.6032 173.3995 74 G 3.8264 8.4008 108.0446 46.6796 0.0000 173.2846 75 I 4.5414 6.9964 116.3623 58.9605 41.8384 173.4035 76 S 4.6557 8.3815 119.9073 57.9820 63.1372 175.9571 77 C 4.0643 8.8363 124.9557 59.9660 35.0635 176.2209 78 D 4.1997 7.9486 119.9684 56.9913 40.1756 178.2183 79 K 4.2607 7.7976 117.3035 57.8772 32.1685 177.3914 80 L 4.8185 7.8992 118.9866 53.8680 41.7570 177.1720 81 L 5.7024 8.1545 117.6676 53.5614 42.2102 175.3443 82 D 5.0754 7.9042 118.0034 51.7314 42.1786 174.9187 83 D 4.5907 8.6077 116.7910 54.5460 40.8049 176.5343 84 E 4.4391 8.2387 120.3446 55.1594 29.3019 176.4831 85 L 4.5251 8.2422 123.8644 55.3415 42.1084 178.3959 86 D 4.3184 7.9885 120.2241 57.5401 40.8629 178.2514 87 D 4.3384 7.9912 118.9431 56.2668 39.3926 178.1107 88 D 4.2590 7.9923 119.8476 57.2447 40.8535 178.4863 89 I 3.0825 7.9020 120.3183 64.2421 36.9616 178.3387 90 A 3.7593 7.8067 121.3782 55.1637 18.0674 178.9395 91 C 4.1276 8.0808 116.8385 59.6574 43.8259 175.5864 92 A 3.7774 7.7787 122.7275 54.9985 17.6862 179.7729 93 K 3.7350 7.9476 117.3076 59.4069 31.9315 179.7357 94 K 4.0430 7.6702 118.7640 59.4551 31.9440 179.4184 95 I 2.7622 7.5805 120.0809 64.0985 36.4640 178.4808 96 L 4.2430 8.3971 119.8142 57.8871 41.2813 179.4135 97 A 4.1521 8.3480 119.7668 54.4469 18.4656 179.2138 98 I 4.0827 7.9390 117.8842 63.5159 37.8272 177.0079 99 K 4.1495 7.9422 118.8864 57.3467 33.1466 176.5327 100 G 4.0219 8.5491 104.3521 45.0293 0.0000 174.0444 101 I 3.9618 8.3733 117.7967 63.9874 37.8848 176.9055 102 D 4.7400 8.1220 117.4976 55.5346 40.8542 176.4059 103 Y 3.9252 7.9746 121.2336 60.0241 38.9784 176.0775 104 W 4.2842 8.4309 121.8465 55.3215 27.9623 177.0415 105 K 4.0825 8.3957 123.6886 58.8223 31.8197 178.4812 106 A 4.1544 8.1027 120.6092 54.3736 18.3791 178.3634 107 Y 4.0946 7.9826 118.6989 60.9852 38.5339 178.5920 108 K 3.6559 7.9794 117.3883 58.9156 32.4750 176.8562 109 P 4.3398 0.0000 0.0000 65.3092 31.4883 176.9585 110 M 4.4056 7.9235 116.6259 55.6472 32.8502 175.5618 111 C 5.0371 7.8326 116.2557 56.8737 41.2249 174.7714 112 S 4.1669 8.0654 114.8221 58.6001 63.2997 173.4306 113 E 4.5335 7.8153 116.7228 55.3276 32.5745 174.5189 114 K 3.8282 8.4517 115.8715 57.6366 29.4701 175.5715 115 L 4.6620 7.5607 119.0880 57.1236 43.1123 179.5888 116 E 4.0068 8.5467 118.3680 59.5317 29.4701 179.2193 117 Q 3.7819 7.9783 114.9399 58.6400 28.3939 177.2310 118 W 4.6085 8.0384 116.7401 56.8768 29.3971 176.4483 119 R 4.1320 7.9749 120.2950 56.1684 30.1013 174.5354 120 C 4.8045 8.6685 124.3661 55.0698 45.0339 172.7719 121 E 4.3024 8.6335 125.7758 55.6202 30.1392 175.1059 122 K 4.2254 7.8231 119.7187 55.6804 32.7514 174.5822 123 P 4.4283 0.0000 0.0000 62.9625 31.1858 176.1593 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 T 8.03 4.37 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 1.23 0.00 0.00 2 E 8.78 4.64 0.00 1.99 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 2.31 2.44 0.00 3 L 9.03 4.59 0.00 1.42 1.54 0.89 1.05 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 4 T 8.05 4.48 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 1.22 0.00 0.00 5 K 8.83 3.15 0.00 2.12 1.92 0.00 2.09 0.00 0.00 2.06 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.58 1.82 7.81 6 C 8.00 4.25 0.00 2.93 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 7 K 8.31 3.83 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 V 7.55 3.42 1.67 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 0.86 0.00 0.00 0.59 0.00 0.00 9 S 8.02 4.11 0.00 3.85 3.93 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 10 H 8.32 4.40 0.00 3.29 3.30 0.00 5.64 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 11 A 8.27 4.07 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 12 I 7.48 4.26 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.23 0.94 0.00 0.00 13 K 7.68 3.78 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 D 8.04 4.33 0.00 2.62 2.61 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 15 I 7.93 3.81 1.55 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.19 0.58 0.00 0.00 16 D 7.66 4.55 0.00 2.74 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 17 G 9.39 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 18 Y 8.20 4.17 0.00 3.10 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 19 Q 8.95 2.94 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 20 G 8.30 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 21 I 7.62 4.40 1.97 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.12 0.00 0.00 22 S 9.07 5.02 0.00 4.10 4.05 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 23 L 8.40 4.23 0.00 1.80 1.80 1.00 0.78 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 24 L 7.97 4.17 0.00 1.83 1.88 1.01 1.16 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 25 E 8.18 3.91 0.00 2.08 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 2.40 2.39 0.00 26 W 8.14 3.93 0.00 3.51 3.12 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 27 A 8.49 4.08 1.58 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 0.00 0.00 28 C 7.54 2.00 0.00 1.33 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 29 V 7.85 3.50 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 0.84 0.00 0.00 0.76 0.00 0.00 30 L 8.71 4.02 0.00 1.97 1.76 0.46 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.82 2.95 0.00 2.72 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 32 H 7.53 4.15 0.00 3.11 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.54 4.23 4.31 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 1.44 0.00 0.00 34 S 7.81 4.43 0.00 3.93 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.12 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 0.00 0.00 0.00 36 Y 7.63 3.74 0.00 3.31 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 37 D 7.78 5.06 0.00 2.72 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 38 T 8.99 4.13 4.48 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 1.24 0.00 0.00 39 Q 8.36 4.45 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 40 A 8.03 4.13 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 41 V 8.28 4.60 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 0.59 0.00 0.00 0.95 0.00 0.00 42 V 8.57 4.46 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 0.86 0.00 0.00 0.95 0.00 0.00 43 N 8.62 5.12 0.00 2.72 2.64 0.00 0.00 6.75 8.47 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 44 D 9.36 4.20 0.00 2.61 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 0.00 0.00 0.00 0.00 45 N 9.46 4.05 0.00 2.90 3.00 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.18 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 47 S 8.25 4.82 0.00 3.92 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 48 T 9.16 5.06 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 0.76 0.00 0.00 49 E 9.17 5.29 0.00 1.94 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 2.37 2.32 0.00 50 Y 9.38 4.96 0.00 2.94 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 51 G 9.21 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 0.00 0.00 0.00 0.00 52 L 8.80 3.94 0.00 1.60 1.74 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.46 4.65 0.00 3.28 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.62 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 55 I 8.18 4.26 2.06 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 1.11 0.80 1.02 0.00 0.00 56 S 9.31 5.36 0.00 4.20 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 57 D 9.27 5.02 0.00 2.89 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 58 R 8.38 4.15 0.00 1.66 1.82 0.00 3.00 0.00 0.00 2.92 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 59 F 7.91 4.83 0.00 2.01 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 0.00 0.00 0.00 60 W 8.31 4.52 0.00 3.60 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 61 C 7.87 5.43 0.00 3.06 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 62 K 8.92 4.56 0.00 1.92 1.65 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.31 1.27 7.81 63 S 8.52 5.09 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 64 S 8.70 4.35 0.00 4.03 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 65 E 8.22 4.25 0.00 2.09 2.11 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 2.36 2.36 0.00 66 F 7.86 5.33 0.00 2.91 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 67 P 0.00 4.32 0.00 2.06 2.07 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 68 E 7.59 4.16 0.00 1.88 1.85 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 2.13 2.23 0.00 69 S 6.21 3.38 0.00 3.33 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 3.86 0.00 1.96 1.87 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 2.20 2.28 0.00 71 N 7.96 4.23 0.00 2.81 2.71 0.00 0.00 7.05 7.10 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 72 I 7.73 3.67 1.67 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 0.97 0.00 0.00 73 C 8.53 4.43 0.00 3.27 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 74 G 8.40 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.00 4.54 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.48 0.90 0.00 0.00 76 S 8.38 4.66 0.00 3.85 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 77 C 8.84 4.06 0.00 2.14 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 78 D 7.95 4.20 0.00 2.66 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.80 4.26 0.00 1.89 2.06 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.60 7.81 80 L 7.90 4.82 0.00 1.89 1.80 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.15 5.70 0.00 1.83 1.71 1.15 1.18 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 82 D 7.90 5.08 0.00 2.73 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 83 D 8.61 4.59 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.44 0.00 2.10 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 2.26 2.26 0.00 85 L 8.24 4.53 0.00 1.74 1.72 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.99 4.32 0.00 2.73 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 87 D 7.99 4.34 0.00 2.91 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 88 D 7.99 4.26 0.00 2.96 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 89 I 7.90 3.08 1.88 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 1.28 0.78 0.62 0.00 0.00 90 A 7.81 3.76 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 91 C 8.08 4.13 0.00 3.04 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 92 A 7.78 3.78 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.73 0.00 1.60 1.29 0.00 1.22 0.00 0.00 1.22 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.00 7.81 94 K 7.67 4.04 0.00 1.95 2.03 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.62 7.81 95 I 7.58 2.76 1.67 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.33 0.00 0.00 96 L 8.40 4.24 0.00 2.25 2.00 1.36 1.37 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 97 A 8.35 4.15 1.48 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 98 I 7.94 4.08 2.30 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.08 0.00 0.00 99 K 7.94 4.15 0.00 1.99 2.04 0.00 2.12 0.00 0.00 2.02 0.00 0.00 3.35 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.57 7.81 100 G 8.55 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 0.00 101 I 8.37 3.96 1.59 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.57 0.76 0.00 0.00 102 D 8.12 4.74 0.00 2.79 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 0.00 103 Y 7.97 3.93 0.00 2.61 2.24 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 0.00 104 W 8.43 4.28 0.00 3.69 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 0.00 105 K 8.40 4.08 0.00 1.68 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 106 A 8.10 4.15 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 0.00 107 Y 7.98 4.09 0.00 3.01 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 0.00 108 K 7.98 3.66 0.00 1.78 1.82 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 109 P 0.00 4.34 0.00 2.14 2.15 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 110 M 7.92 4.41 0.00 1.80 2.11 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.66 0.00 111 C 7.83 5.04 0.00 2.80 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 0.00 112 S 8.07 4.17 0.00 3.74 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 0.00 113 E 7.82 4.53 0.00 2.03 1.89 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 2.17 2.35 0.00 114 K 8.45 3.83 0.00 1.94 1.86 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.46 7.81 115 L 7.56 4.66 0.00 1.80 1.85 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.55 4.01 0.00 2.00 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 2.43 2.28 0.00 117 Q 7.98 3.78 0.00 1.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.07 0.00 0.00 0.00 0.00 0.00 2.10 1.16 0.00 118 W 8.04 4.61 0.00 3.48 3.37 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 0.00 119 R 7.97 4.13 0.00 1.86 1.94 0.00 3.43 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 120 C 8.67 4.80 0.00 2.94 2.95 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 0.00 121 E 8.63 4.30 0.00 1.93 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 2.20 2.33 0.00 122 K 7.82 4.23 0.00 1.77 1.76 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.48 7.81 123 P 0.00 4.43 0.00 2.07 1.94 0.00 3.77 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 2.03 2.09 0.00