NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4425 8.1844 120.6401 54.9649 43.1225 175.5368 8 H 4.7933 8.4975 119.4108 53.8693 32.8548 171.3923 9 K 4.6092 9.1273 126.6379 56.0107 34.2482 175.5324 10 E 4.8322 9.0373 121.9775 53.9071 33.9332 173.6533 11 P 4.9760 0.0000 0.0000 62.9099 32.2609 175.4011 12 A 4.9603 8.4804 122.5781 51.0863 23.0383 175.5430 13 T 4.6239 8.7277 115.7380 61.2111 71.6773 173.8949 14 L 4.2094 8.7132 128.3327 55.9828 42.4102 175.4842 15 I 4.3645 8.4861 126.0709 61.7957 38.8005 175.8258 16 K 4.4336 7.5105 119.1063 55.4953 35.5046 173.5960 17 A 4.5028 8.7714 130.5689 52.0621 19.4753 176.8112 18 I 4.2209 8.4356 123.6978 62.8192 37.7931 175.0235 19 D 4.5941 7.8964 117.6322 52.6418 41.5618 175.4052 20 G 3.8476 8.9306 107.0905 48.1779 0.0000 173.8370 21 D 5.0516 7.9673 113.9133 52.9276 41.2616 175.6869 22 T 5.1559 8.0294 114.6820 62.4484 72.7394 173.3809 23 V 4.8729 8.8206 118.1322 59.7348 36.7939 174.1482 24 K 5.0845 9.4066 123.5326 55.2883 33.8666 175.7999 25 L 5.3036 9.5767 124.0127 53.1920 46.6396 174.9753 26 M 4.9312 9.2282 121.6265 54.5845 33.9770 174.2270 27 Y 4.8991 8.9383 127.5655 55.9768 42.1986 175.3531 28 K 3.7041 9.2908 126.9889 57.6032 29.5860 176.2549 29 G 3.9259 8.4830 103.1016 45.8608 0.0000 173.5326 30 Q 4.7479 8.0062 120.4681 53.0244 32.6198 172.6439 31 P 5.0364 0.0000 0.0000 63.3918 32.2346 175.3725 32 M 4.8797 9.4505 122.1029 54.3360 37.3730 173.3162 33 T 4.9021 8.4001 115.8480 60.7772 69.7253 173.1268 34 F 4.9901 9.4229 127.5690 55.6882 41.9795 174.4422 35 R 5.0689 9.2625 123.4787 54.0945 32.5798 174.8900 36 L 4.2632 8.7277 127.3081 54.9306 42.3122 177.4057 37 L 3.9469 8.8169 124.5766 55.3322 42.9854 177.5963 38 L 3.9148 8.6786 118.5096 54.7376 39.4707 174.0056 39 V 5.0233 7.3287 109.7109 60.0973 36.5536 174.6070 40 D 4.8746 8.7942 120.8738 53.7078 43.9015 174.2440 41 T 4.7489 8.8624 116.9672 59.4151 71.0401 173.2422 42 P 4.4441 0.0000 0.0000 62.4040 32.2983 175.7892 43 E 4.1818 10.0049 124.6684 56.6078 30.0115 177.2087 44 T 4.6261 8.4119 112.9047 60.9387 70.0526 173.5800 45 K 4.3270 8.3251 119.5510 58.0341 34.5806 175.8075 46 H 4.1054 8.2685 116.8225 55.9585 30.0203 174.6857 47 P 3.9426 0.0000 0.0000 65.4498 31.4157 178.1547 48 K 4.1849 8.6204 117.3214 57.9323 32.4054 176.7638 49 K 4.3263 8.0019 115.3278 57.4377 34.5879 176.3126 50 G 3.8389 8.9908 105.1320 44.3587 0.0000 173.9865 51 V 4.3313 7.7410 116.0430 60.3406 31.3029 176.0575 52 E 4.1019 8.5811 124.8294 55.2282 30.2551 176.7911 53 K 3.9062 8.2192 122.1020 58.1122 32.8018 176.9309 54 Y 4.2602 7.6106 121.2709 59.1341 36.1105 171.0775 55 G 3.7655 7.9380 107.5994 47.6083 0.0000 174.0120 56 P 4.3047 0.0000 0.0000 64.9121 31.4579 178.6874 57 E 3.9990 8.1718 116.7070 59.3599 29.5075 179.0325 58 A 4.0364 8.5599 121.1844 55.3293 18.3895 179.8726 59 S 4.1690 8.2277 113.4364 61.7352 62.8326 176.8464 60 A 4.0043 8.1110 123.5263 54.9543 18.0683 179.3203 61 F 3.9168 8.5106 119.2823 61.7872 39.1296 177.2879 62 T 3.9206 8.1051 115.1886 66.5925 68.3552 176.0877 63 K 3.8389 8.1795 121.4422 59.5697 32.1321 178.2568 64 K 3.7428 8.1354 119.6333 59.7792 31.8637 178.0645 65 M 3.8394 7.6344 116.7175 58.9949 32.1726 178.3405 66 V 3.8161 8.0654 112.3769 64.0111 31.5533 178.4306 67 E 3.8983 8.5170 118.1936 58.7968 29.4781 178.0183 68 N 4.5708 8.0615 113.8405 52.8124 39.3591 175.3981 69 A 4.4382 6.8627 123.9781 51.7969 19.3165 178.0484 70 K 4.1500 9.6997 122.6168 58.9160 32.5168 177.9111 71 K 4.7418 8.6228 117.7473 54.4750 35.9896 175.2796 72 I 5.0232 8.3395 123.8842 59.6601 40.5208 174.3550 73 E 5.1346 9.3288 124.4365 54.7312 34.1156 174.8330 74 V 4.6453 8.8620 115.8224 59.4490 35.1472 174.5228 75 E 4.9586 9.3011 125.1239 54.4445 32.1517 175.0957 76 F 4.6711 8.9034 125.7195 57.5326 40.2680 175.6573 77 D 4.9970 8.5867 120.6077 53.3963 43.2220 175.6496 78 K 4.4261 8.6343 116.6706 57.5427 34.0366 177.8067 79 G 4.1997 8.3704 111.6267 44.7956 0.0000 173.6261 80 Q 4.0627 8.7000 122.4277 56.6887 29.3053 176.6786 81 R 4.6090 8.4753 118.8601 56.2980 31.1729 175.9816 82 T 5.0347 7.3927 107.2268 59.7483 71.9090 173.0929 83 D 4.7623 8.4132 123.3912 51.4341 41.3938 177.2718 84 K 3.8445 8.3040 117.4823 59.1471 32.2999 177.0116 85 Y 4.3038 8.0385 115.8919 57.7427 38.2967 176.1215 86 G 3.8863 8.4323 108.6117 45.6076 0.0000 173.5155 87 R 4.3879 8.3061 119.2095 54.7325 31.6739 176.5441 88 G 3.5710 8.7247 111.2292 46.1649 0.0000 172.5573 89 L 5.1902 8.8045 123.5845 53.1084 43.1260 175.5456 90 A 4.5248 8.4352 125.0327 50.8213 23.7822 173.7711 91 Y 4.8063 8.8361 117.1642 57.0261 39.8471 175.3207 92 I 4.8515 8.4931 124.7131 59.6805 40.1785 174.1716 93 Y 5.1036 9.5696 124.2257 56.0424 41.4141 174.6158 94 A 4.8647 9.1212 125.3334 50.1639 21.4534 176.1729 95 D 4.3139 9.7967 124.5543 56.1760 39.0582 175.4510 96 G 3.9069 8.4665 103.5338 45.5644 0.0000 173.3056 97 K 4.5038 7.9634 121.7435 54.3119 33.8704 175.0350 98 M 3.9173 8.5229 125.7252 55.1538 32.9963 176.8758 99 V 3.6282 8.7127 127.5066 66.0988 31.4222 177.5078 100 N 4.2981 8.0574 115.7923 56.5314 38.4404 176.7996 101 E 3.9295 8.0827 119.7517 58.9621 29.7726 178.2118 102 A 4.0646 8.1384 120.9172 55.2444 18.4207 179.5677 103 L 3.5139 7.9292 117.2573 57.8180 41.6536 179.9546 104 V 3.7964 7.3251 118.9452 65.6279 31.3097 177.9213 105 R 3.8482 8.2748 117.2476 59.2992 29.9229 177.5035 106 Q 4.2840 7.6123 114.8096 55.2544 29.1735 176.2352 107 G 3.8626 8.1586 109.0561 46.5172 0.0000 174.6268 108 L 4.4157 7.8481 117.1194 53.9655 42.5227 176.1346 109 A 4.6267 7.3902 119.3141 51.1072 22.7324 175.6615 110 K 4.9898 8.3790 118.8365 54.4096 35.5393 176.0052 111 V 4.3227 9.5611 123.8896 63.0403 31.9859 175.1053 112 A 4.3814 8.5915 128.3193 50.2771 23.4464 174.6418 113 Y 3.1617 7.5577 113.3331 58.9370 35.2208 172.5983 114 V 3.6259 7.3370 118.7072 62.4970 31.7131 174.6541 115 Y 4.9498 8.0923 125.8350 55.8128 39.5407 175.7915 116 K 4.4907 8.7009 124.8586 56.0459 32.7433 175.1704 117 P 4.7209 0.0000 0.0000 63.2967 31.8255 177.2163 118 N 4.8918 8.5358 118.6018 52.4461 37.0436 175.1268 119 N 5.2081 7.6244 113.1330 52.4536 38.6222 177.7359 120 T 3.8553 8.7182 118.3754 67.9333 68.7145 175.1722 121 H 4.8862 7.9243 116.2131 55.6849 29.3256 176.5281 122 E 3.9716 8.4261 123.2524 59.7094 29.2392 178.8774 123 Q 3.9828 8.0347 117.4019 59.0901 28.8798 177.8340 124 H 4.1082 8.2429 118.7015 59.5365 29.9378 177.0665 125 L 3.9406 8.2056 120.7951 57.9020 41.5144 179.8423 126 R 3.9677 8.4651 118.7104 58.8543 29.8745 179.2436 127 K 3.9684 8.3498 119.2406 60.0520 32.6799 179.5292 128 S 4.0678 7.9378 116.3873 61.1919 62.6708 176.2647 129 E 3.9205 8.2383 121.8741 59.1527 29.3850 178.7248 130 A 3.7110 7.7882 120.6826 54.9410 18.3552 179.4420 131 Q 3.7686 7.8378 117.4841 59.2943 29.1991 178.2439 132 A 3.9879 7.9146 121.8081 54.9319 18.3691 179.5906 133 K 3.3914 7.7436 118.3188 59.3206 32.0554 179.2776 134 K 4.0261 8.2157 117.4434 58.9796 32.5900 177.8021 135 E 4.3632 7.9722 117.9866 54.7699 30.4317 175.6038 136 K 4.1119 8.0150 118.4466 57.2924 30.5712 174.9533 137 L 4.4596 8.1773 117.9016 55.4497 44.0535 178.0827 138 N 3.7047 9.2450 118.8818 53.9841 38.4773 175.9489 139 I 3.0589 5.4200 124.6642 64.9363 37.3233 176.7662 140 W 4.5912 7.5810 116.6121 56.9355 29.1916 176.6740 141 S 4.8852 8.9661 119.1352 57.9439 62.5983 173.9624 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 7 L 8.18 4.44 0.00 1.73 1.80 0.99 0.83 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 8 H 8.50 4.79 0.00 3.15 3.18 0.00 5.72 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 9 K 9.13 4.61 0.00 1.52 1.58 0.00 1.66 0.00 0.00 0.95 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.20 7.81 10 E 9.04 4.83 0.00 2.09 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 2.34 2.41 0.00 11 P 0.00 4.98 0.00 1.96 1.99 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 12 A 8.48 4.96 1.22 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 0.00 0.00 0.00 0.00 0.00 13 T 8.73 4.62 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 1.23 0.00 0.00 14 L 8.71 4.21 0.00 1.66 1.58 0.92 1.06 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 15 I 8.49 4.36 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.94 0.00 0.00 16 K 7.51 4.43 0.00 1.80 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.40 7.81 17 A 8.77 4.50 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 18 I 8.44 4.22 2.03 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 1.48 0.79 0.91 0.00 0.00 19 D 7.90 4.59 0.00 2.84 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 20 G 8.93 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 0.00 0.00 0.00 21 D 7.97 5.05 0.00 2.75 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 22 T 8.03 5.16 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 1.26 0.00 0.00 23 V 8.82 4.87 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 0.71 0.00 0.00 0.97 0.00 0.00 24 K 9.41 5.08 0.00 1.71 1.78 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.57 7.81 25 L 9.58 5.30 0.00 1.73 1.57 0.39 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.23 4.93 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 27 Y 8.94 4.90 0.00 3.30 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 28 K 9.29 3.70 0.00 1.52 1.65 0.00 0.92 0.00 0.00 1.24 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.17 7.81 29 G 8.48 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 0.00 0.00 0.00 30 Q 8.01 4.75 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 31 P 0.00 5.04 0.00 2.16 2.09 0.00 3.85 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 2.02 2.03 0.00 32 M 9.45 4.88 0.00 1.71 2.07 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.52 0.00 33 T 8.40 4.90 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 1.21 0.00 0.00 34 F 9.42 4.99 0.00 3.12 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 35 R 9.26 5.07 0.00 1.85 1.74 0.00 3.33 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 36 L 8.73 4.26 0.00 1.57 1.61 0.93 1.22 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 37 L 8.82 3.95 0.00 0.76 1.21 0.38 0.27 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 38 L 8.68 3.91 0.00 2.00 1.81 1.14 1.13 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 39 V 7.33 5.02 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 0.77 0.00 0.00 0.96 0.00 0.00 40 D 8.79 4.87 0.00 2.85 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 41 T 8.86 4.75 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 42 P 0.00 4.44 0.00 2.31 2.01 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.04 0.00 43 E 10.00 4.18 0.00 2.02 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 2.32 2.48 0.00 44 T 8.41 4.63 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 45 K 8.33 4.33 0.00 1.79 1.78 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 46 H 8.27 4.11 0.00 3.14 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 3.94 0.00 2.24 2.08 0.00 3.34 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 48 K 8.62 4.18 0.00 1.56 1.59 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.51 7.81 49 K 8.00 4.33 0.00 1.91 1.78 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.28 7.81 50 G 8.99 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 51 V 7.74 4.33 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 0.85 0.00 0.00 0.99 0.00 0.00 52 E 8.58 4.10 0.00 2.09 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 2.32 2.25 0.00 53 K 8.22 3.91 0.00 1.61 1.74 0.00 1.25 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.22 0.60 7.81 54 Y 7.61 4.26 0.00 3.24 3.09 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 55 G 7.94 3.77 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 0.00 0.00 0.00 56 P 0.00 4.30 0.00 2.14 2.10 0.00 3.49 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 57 E 8.17 4.00 0.00 2.34 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 2.51 2.49 0.00 58 A 8.56 4.04 1.40 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 59 S 8.23 4.17 0.00 4.10 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 60 A 8.11 4.00 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 61 F 8.51 3.92 0.00 3.34 3.22 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 0.00 0.00 0.00 62 T 8.11 3.92 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 1.25 0.00 0.00 63 K 8.18 3.84 0.00 1.92 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.37 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.52 7.81 64 K 8.14 3.74 0.00 2.06 1.60 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 65 M 7.63 3.84 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 66 V 8.07 3.82 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 0.79 0.00 0.00 1.02 0.00 0.00 67 E 8.52 3.90 0.00 1.90 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 2.56 0.00 68 N 8.06 4.57 0.00 2.71 2.82 0.00 0.00 6.99 6.93 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 69 A 6.86 4.44 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 70 K 9.70 4.15 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.40 7.81 71 K 8.62 4.74 0.00 1.65 1.65 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.37 7.81 72 I 8.34 5.02 2.00 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 1.33 1.26 0.85 0.00 0.00 73 E 9.33 5.13 0.00 1.86 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 2.18 2.25 0.00 74 V 8.86 4.65 1.50 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 -0.15 0.00 0.00 0.49 0.00 0.00 75 E 9.30 4.96 0.00 2.12 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 0.00 2.50 2.40 0.00 76 F 8.90 4.67 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 5.00 0.00 2.76 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 78 K 8.63 4.43 0.00 1.95 1.98 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.37 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.42 7.81 79 G 8.37 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 80 Q 8.70 4.06 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 81 R 8.48 4.61 0.00 1.59 1.34 0.00 2.87 0.00 0.00 2.84 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 82 T 7.39 5.03 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 1.15 0.00 0.00 83 D 8.41 4.76 0.00 2.95 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 84 K 8.30 3.84 0.00 1.56 1.76 0.00 0.89 0.00 0.00 1.38 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.01 0.27 7.81 85 Y 8.04 4.30 0.00 3.12 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 86 G 8.43 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 87 R 8.31 4.39 0.00 2.06 1.79 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 88 G 8.72 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.80 5.19 0.00 1.60 1.64 0.97 0.97 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 90 A 8.44 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.84 4.81 0.00 3.00 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 92 I 8.49 4.85 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.48 0.86 0.00 0.00 93 Y 9.57 5.10 0.00 2.76 2.83 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 94 A 9.12 4.86 1.19 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 0.00 0.00 95 D 9.80 4.31 0.00 2.80 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 96 G 8.47 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 97 K 7.96 4.50 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.39 7.81 98 M 8.52 3.92 0.00 1.98 1.67 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 1.61 2.46 0.00 99 V 8.71 3.63 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 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.06 4.30 0.00 2.91 2.92 0.00 0.00 6.78 7.66 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 0.00 101 E 8.08 3.93 0.00 1.99 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 2.27 2.31 0.00 102 A 8.14 4.06 1.61 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 0.00 103 L 7.93 3.51 0.00 1.87 1.64 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.33 3.80 2.18 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 1.31 0.00 0.00 0.97 0.00 0.00 105 R 8.27 3.85 0.00 1.98 2.13 0.00 3.33 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 106 Q 7.61 4.28 0.00 1.53 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.18 0.00 0.00 0.00 0.00 0.00 2.37 1.96 0.00 107 G 8.16 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 0.00 0.00 0.00 108 L 7.85 4.42 0.00 1.30 1.53 0.47 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.39 4.63 1.19 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 0.00 0.00 110 K 8.38 4.99 0.00 1.70 1.77 0.00 1.56 0.00 0.00 1.33 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.17 7.81 111 V 9.56 4.32 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 0.75 0.00 0.00 0.95 0.00 0.00 112 A 8.59 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.56 3.16 0.00 2.98 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 0.00 114 V 7.34 3.63 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 0.84 0.00 0.00 0.93 0.00 0.00 115 Y 8.09 4.95 0.00 3.11 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 0.00 116 K 8.70 4.49 0.00 1.80 1.80 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.43 7.81 117 P 0.00 4.72 0.00 2.22 2.17 0.00 3.81 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 2.01 2.01 0.00 118 N 8.54 4.89 0.00 3.03 2.91 0.00 0.00 6.63 8.55 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 0.00 119 N 7.62 5.21 0.00 2.87 3.01 0.00 0.00 6.09 7.22 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 0.00 120 T 8.72 3.86 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 1.11 0.00 0.00 121 H 7.92 4.89 0.00 2.93 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.43 3.97 0.00 2.10 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 2.33 2.38 0.00 123 Q 8.03 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 H 8.24 4.11 0.00 3.23 3.48 0.00 5.87 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 0.00 125 L 8.21 3.94 0.00 1.87 1.72 1.06 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.47 3.97 0.00 2.00 1.94 0.00 3.12 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 127 K 8.35 3.97 0.00 1.97 2.03 0.00 1.22 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.73 7.81 128 S 7.94 4.07 0.00 3.96 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 0.00 129 E 8.24 3.92 0.00 2.05 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 2.07 2.51 0.00 130 A 7.79 3.71 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 0.00 131 Q 7.84 3.77 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 7.91 3.99 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.74 3.39 0.00 1.20 1.47 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.30 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.90 0.54 7.81 134 K 8.22 4.03 0.00 1.83 1.83 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.42 7.81 135 E 7.97 4.36 0.00 1.96 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 0.00 2.26 2.53 0.00 136 K 8.01 4.11 0.00 1.98 1.89 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.40 7.81 137 L 8.18 4.46 0.00 1.77 1.69 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.24 3.70 0.00 2.46 1.42 0.00 0.00 7.10 7.32 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 0.00 139 I 5.42 3.06 1.23 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 0.89 -0.19 -0.64 0.00 0.00 140 W 7.58 4.59 0.00 3.30 3.18 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 0.00 141 S 8.97 4.89 0.00 4.02 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