NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3765 8.4401 118.7983 55.4652 33.0959 176.0931 2 A 3.8747 8.5191 120.9104 53.3016 17.0143 176.8318 3 E 4.7322 9.1980 116.8106 56.6522 34.2275 173.2248 4 A 4.3949 7.7177 122.9376 53.2977 24.3918 177.3570 5 H 4.5915 7.2519 112.7578 55.0389 26.6226 176.5552 6 K 4.2451 8.0370 125.0447 57.2935 31.4994 177.6500 7 C 3.8385 8.4674 117.6108 57.4529 35.5580 173.6075 8 D 4.4627 8.5963 124.9103 53.6903 40.7201 176.4765 9 I 3.8557 8.3460 127.5937 63.6544 37.9187 177.6732 10 T 3.9214 7.7272 116.0130 66.9329 68.4875 176.5676 11 L 4.1271 7.7609 120.5606 57.4530 41.5146 178.8946 12 Q 3.9907 7.9798 120.2237 58.5567 29.3715 177.1818 13 E 4.0392 8.2836 118.3532 59.4110 29.3521 179.3609 14 I 3.7117 7.8009 121.0501 64.2980 37.3654 177.8466 15 I 3.6376 7.4919 120.0204 64.7531 37.0807 178.5671 16 K 3.9519 7.9598 118.8039 59.6899 31.9007 179.5087 17 T 3.8908 7.7675 115.8146 66.6444 68.4279 176.4568 18 L 3.9606 8.0495 120.8632 57.9773 41.7503 179.3380 19 N 4.3431 7.8201 117.0159 55.9326 38.2651 177.5086 20 S 4.0109 7.6247 115.1239 61.5004 63.0121 176.6489 21 L 3.8223 7.3985 121.3245 57.8302 41.4684 179.2949 22 T 3.8062 7.8044 109.7345 65.2539 68.1422 176.0960 23 E 4.0020 7.8162 119.6304 57.7082 29.8372 177.3580 24 Q 4.3776 7.5397 117.7386 54.5980 29.9435 175.7536 25 K 4.3704 8.3994 121.0887 55.3797 35.0596 175.4820 26 T 4.6825 8.1578 114.1429 59.0696 71.6810 174.7827 27 L 4.2276 8.2622 120.6382 57.9019 40.2111 178.8145 28 C 4.5121 7.9389 118.8883 58.7600 40.4755 174.5851 29 T 4.0637 7.9258 110.9884 64.9969 68.5011 176.2862 30 E 4.1146 8.0133 119.8244 58.1184 29.4680 177.2055 31 L 4.3902 7.7117 120.3850 54.7646 43.0768 175.9750 32 T 4.8618 8.4551 112.8768 60.5724 70.4863 174.8540 33 V 4.2752 8.5740 120.4541 60.0930 34.6340 174.6964 34 T 4.5639 8.0496 118.2128 62.9855 68.9470 175.0792 35 D 4.8845 8.8124 126.4228 54.2792 41.5668 175.6539 36 I 4.3085 8.2377 114.7434 61.3667 39.6478 176.9889 37 F 4.2265 7.9757 117.9109 58.4615 38.9792 176.2318 38 A 4.5914 7.6313 122.8131 52.3451 18.3793 178.3151 39 A 4.4978 7.4266 118.7139 50.9169 19.5302 177.3042 40 S 4.6103 8.1604 116.1730 57.7671 62.9105 171.8466 41 K 4.4370 7.5610 127.0207 56.6922 34.7301 176.2853 42 D 4.6302 8.1191 123.6147 53.9222 40.8019 177.2740 43 T 3.9436 7.6511 111.8966 61.8873 69.3496 175.2025 44 T 4.3521 8.1812 117.0484 60.6905 72.2374 174.9349 45 E 3.9675 8.5159 120.2663 59.5297 29.3349 178.5618 46 K 4.0105 8.2982 117.6629 60.0642 32.0531 178.4613 47 E 4.0780 8.1358 118.9120 59.5774 29.4471 179.8756 48 T 3.7122 7.3511 116.3300 66.6408 68.5347 176.8075 49 F 4.4121 7.6337 119.6872 60.6084 38.7916 176.7895 50 C 4.5542 8.2775 117.9227 59.7168 41.4985 175.4399 51 R 3.9031 8.1536 119.2815 59.4739 29.9108 178.6391 52 A 4.1148 7.9715 119.7402 55.3521 18.3952 179.5500 53 A 4.0899 8.2151 118.9913 55.6759 18.6498 179.6241 54 T 3.8023 8.3312 114.7731 67.2862 68.6867 176.3889 55 V 3.5080 7.8362 119.6902 65.9406 31.6519 177.7137 56 L 4.0395 8.0295 118.3942 58.6281 41.5301 178.9956 57 R 3.5619 8.5461 119.3501 59.1555 29.9812 177.7172 58 Q 4.0158 8.1408 115.7979 58.2207 28.6679 177.5937 59 F 4.2263 7.7866 123.8401 60.7917 39.1428 175.7715 60 Y 4.4285 8.2982 115.8436 58.5441 38.1275 177.5668 61 S 4.1433 7.0112 116.7267 61.1645 63.3342 175.3479 62 H 4.3577 7.5143 116.9451 58.2217 28.8836 177.5562 63 H 4.1607 7.7696 117.9509 58.9939 28.3958 177.2488 64 E 4.0860 7.3514 119.3129 59.4189 29.3320 178.5618 65 K 4.2100 7.4942 115.5010 56.7901 32.9090 176.6566 66 D 4.5558 7.9643 119.4567 53.7067 42.2110 176.8270 67 T 4.2904 8.2583 117.5951 61.6787 68.1554 174.6617 68 R 4.2914 7.5673 121.4769 59.2305 31.6984 178.7632 69 C 4.6804 7.8908 112.1124 57.2469 40.6980 174.8829 70 L 3.9353 7.9182 120.9921 57.1176 42.2511 178.1516 71 G 3.8843 8.2317 105.4663 45.5928 0.0000 173.1478 72 A 4.5399 8.4750 118.2419 52.8228 22.1939 176.7305 73 T 4.0261 7.9136 105.0864 62.0824 69.2601 174.5072 74 A 4.4036 8.4423 122.8498 54.3766 19.2436 179.7155 75 Q 4.0242 8.0369 115.9939 59.3294 28.7548 178.1807 76 Q 4.0900 8.0990 121.0229 58.4255 29.3050 177.3077 77 F 4.0797 7.9262 120.7218 61.5305 39.4331 176.6659 78 H 4.1343 8.2138 117.6017 59.4416 29.6077 176.8565 79 R 3.8810 7.6412 118.6684 59.9665 30.0129 177.5704 80 H 4.2598 8.5409 117.8827 59.1265 29.9480 177.1216 81 K 3.7130 7.6128 119.8398 59.7825 31.9277 178.7575 82 Q 3.9240 8.1284 119.4127 59.2199 28.7944 178.3715 83 L 4.0781 7.8557 121.0742 58.4016 42.2138 178.6971 84 I 3.7105 7.7753 119.1290 64.7256 37.0092 178.3863 85 R 3.7361 7.8713 118.3602 59.2913 29.9760 178.8449 86 F 4.0283 7.9509 117.5042 60.7128 38.8426 177.9429 87 L 4.0086 8.0072 118.2068 57.8726 41.3516 179.6808 88 K 3.4641 7.7587 116.9524 59.4003 32.0359 178.1793 89 R 4.1058 7.9642 120.3368 57.9876 29.8978 177.7474 90 L 4.5180 8.1889 120.6716 58.4729 39.9393 178.8917 91 D 4.4418 8.5428 119.0742 57.4176 41.0460 178.6677 92 R 4.1443 8.3765 118.7093 59.0685 30.1635 178.3319 93 N 4.3463 8.2686 115.8064 56.8243 38.3135 176.8515 94 L 3.9781 8.0973 119.2172 57.3924 41.6260 179.0007 95 W 4.3953 8.3914 127.2317 59.8886 30.8128 177.8702 96 G 3.7860 8.2517 106.3691 47.7052 0.0000 175.2740 97 L 4.0456 7.7341 121.9487 56.3860 40.4174 178.3374 98 A 3.9184 7.3128 122.8223 53.4782 18.8159 179.2438 99 G 3.5981 6.9933 101.4369 46.4137 0.0000 173.2759 100 L 4.3512 6.6649 118.6054 52.8505 42.7799 176.0363 101 N 4.7016 8.3139 122.8008 55.3672 39.7122 174.4645 102 S 4.6397 7.7265 114.0148 58.0138 64.5544 176.1804 103 C 5.0201 8.3359 123.2847 55.3178 44.5405 171.6227 104 P 4.5343 0.0000 0.0000 62.4396 32.1700 177.0562 105 V 4.2086 8.0732 120.7851 60.9030 33.7704 176.6026 106 K 4.5442 7.9475 121.3943 56.6164 30.9417 177.2155 107 E 4.7056 8.3067 115.7019 54.5032 32.9766 173.5208 108 A 4.5042 7.7750 121.1863 52.1082 23.4530 175.8302 109 D 4.4116 9.0548 123.4405 55.3513 38.7847 178.7713 110 Q 4.8567 8.9538 121.5497 56.7576 32.4653 172.0749 111 S 4.8783 8.4072 115.9946 57.4689 66.8819 173.9346 112 T 4.4528 8.4813 111.9324 61.0620 69.7327 175.1978 113 L 4.0048 8.1379 124.8260 59.3603 42.2309 178.3079 114 E 4.0420 8.3798 119.3280 57.9877 29.5059 177.7181 115 N 4.2671 8.2802 115.0291 56.6338 39.1543 177.0889 116 F 4.0868 8.8594 122.0089 61.5341 39.5533 177.3050 117 L 4.1189 8.2195 118.0819 57.4429 41.2735 178.7168 118 E 3.9205 7.9890 119.9355 58.8446 29.7084 178.3934 119 R 3.7002 8.1554 116.0308 59.3937 29.2046 178.3195 120 L 3.5374 7.4490 120.5583 57.5328 42.1858 178.4773 121 K 3.7455 8.0035 119.3323 60.0417 31.8438 178.7507 122 T 3.7607 7.6708 114.3377 66.6912 68.6137 176.1091 123 I 3.7287 7.7665 121.9642 64.7406 37.1159 177.9824 124 M 4.1292 8.1612 119.3848 58.9272 31.7196 179.2334 125 R 4.2330 7.6887 115.7646 58.6507 30.1841 178.4707 126 E 4.1295 8.1019 119.2917 58.9584 30.1014 178.2098 127 K 4.2956 8.0011 116.8852 58.0766 32.2432 177.7629 128 Y 4.3772 8.0889 117.8328 57.5934 38.5034 175.3507 129 S 4.4645 7.8178 114.4226 58.4792 63.3455 172.7029 130 K 4.3384 7.4739 134.0934 56.3882 36.7478 178.7791 131 C 4.4395 8.9956 113.3649 57.2140 41.7256 174.1094 132 S 4.4933 6.9823 117.3213 57.0340 61.2797 174.0425 133 S 4.3296 7.8826 117.5330 58.2073 62.1547 173.6373 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 E 8.44 4.38 0.00 2.10 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 0.00 2.18 2.32 0.00 2 A 8.52 3.87 1.16 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 3 E 9.20 4.73 0.00 1.86 1.69 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 1.92 2.07 0.00 4 A 7.72 4.39 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 5 H 7.25 4.59 0.00 3.38 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.04 4.25 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 C 8.47 3.84 0.00 2.92 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 8 D 8.60 4.46 0.00 2.72 2.57 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 9 I 8.35 3.86 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 1.66 1.21 0.92 0.00 0.00 10 T 7.73 3.92 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 1.20 0.00 0.00 11 L 7.76 4.13 0.00 1.97 1.96 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.98 3.99 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 13 E 8.28 4.04 0.00 2.28 2.23 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 2.43 2.58 0.00 14 I 7.80 3.71 2.09 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.66 0.94 0.00 0.00 15 I 7.49 3.64 1.85 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.77 0.00 0.00 16 K 7.96 3.95 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 T 7.77 3.89 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 1.39 0.00 0.00 18 L 8.05 3.96 0.00 1.80 1.70 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.82 4.34 0.00 2.87 2.81 0.00 0.00 6.52 7.18 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 20 S 7.62 4.01 0.00 3.73 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.40 3.82 0.00 1.77 1.61 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.80 3.81 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 1.23 0.00 0.00 23 E 7.82 4.00 0.00 2.07 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 2.30 2.48 0.00 24 Q 7.54 4.38 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 25 K 8.40 4.37 0.00 1.68 1.70 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.40 7.81 26 T 8.16 4.68 4.29 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 1.25 0.00 0.00 27 L 8.26 4.23 0.00 1.95 1.98 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.94 4.51 0.00 3.12 3.32 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 29 T 7.93 4.06 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 1.32 0.00 0.00 30 E 8.01 4.11 0.00 2.14 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 0.00 2.37 2.31 0.00 31 L 7.71 4.39 0.00 1.85 1.60 0.48 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.46 4.86 4.36 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 1.24 0.00 0.00 33 V 8.57 4.28 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 0.66 0.00 0.00 0.54 0.00 0.00 34 T 8.05 4.56 4.19 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 1.19 0.00 0.00 35 D 8.81 4.88 0.00 2.83 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 36 I 8.24 4.31 1.51 0.00 0.00 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 0.96 -0.36 0.85 0.00 0.00 37 F 7.98 4.23 0.00 3.17 3.08 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 0.00 0.00 0.00 38 A 7.63 4.59 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 39 A 7.43 4.50 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 40 S 8.16 4.61 0.00 3.86 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 41 K 7.56 4.44 0.00 1.79 1.59 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.34 7.81 42 D 8.12 4.63 0.00 2.78 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 43 T 7.65 3.94 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 1.20 0.00 0.00 44 T 8.18 4.35 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 45 E 8.52 3.97 0.00 2.15 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 0.00 2.40 2.27 0.00 46 K 8.30 4.01 0.00 1.78 1.80 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.51 7.81 47 E 8.14 4.08 0.00 1.98 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 2.41 2.41 0.00 48 T 7.35 3.71 3.73 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 1.11 0.00 0.00 49 F 7.63 4.41 0.00 3.19 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 50 C 8.28 4.55 0.00 3.13 3.31 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 51 R 8.15 3.90 0.00 1.83 1.94 0.00 3.16 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 52 A 7.97 4.11 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.22 4.09 1.62 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 0.00 0.00 54 T 8.33 3.80 4.39 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 1.19 0.00 0.00 55 V 7.84 3.51 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 0.76 0.00 0.00 1.02 0.00 0.00 56 L 8.03 4.04 0.00 2.06 1.98 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.55 3.56 0.00 1.98 1.80 0.00 2.95 0.00 0.00 3.10 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 58 Q 8.14 4.02 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.51 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 59 F 7.79 4.23 0.00 3.28 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 60 Y 8.30 4.43 0.00 3.41 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.01 4.14 0.00 3.67 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 62 H 7.51 4.36 0.00 3.19 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.77 4.16 0.00 3.01 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.35 4.09 0.00 2.01 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 2.39 2.48 0.00 65 K 7.49 4.21 0.00 1.89 1.81 0.00 1.87 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.42 7.81 66 D 7.96 4.56 0.00 2.70 2.55 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 67 T 8.26 4.29 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 68 R 7.57 4.29 0.00 1.77 1.96 0.00 3.34 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 69 C 7.89 4.68 0.00 3.06 3.20 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 70 L 7.92 3.94 0.00 1.63 1.78 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.23 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 72 A 8.47 4.54 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 73 T 7.91 4.03 4.29 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 1.23 0.00 0.00 74 A 8.44 4.40 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 75 Q 8.04 4.02 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 76 Q 8.10 4.09 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 77 F 7.93 4.08 0.00 3.40 3.29 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 H 8.21 4.13 0.00 3.35 3.31 0.00 5.69 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 79 R 7.64 3.88 0.00 2.11 2.01 0.00 3.34 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 80 H 8.54 4.26 0.00 3.39 3.42 0.00 5.86 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 81 K 7.61 3.71 0.00 1.90 1.77 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.06 1.07 7.81 82 Q 8.13 3.92 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 83 L 7.86 4.08 0.00 1.80 1.69 0.99 1.19 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 84 I 7.78 3.71 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.68 0.96 0.00 0.00 85 R 7.87 3.74 0.00 1.80 1.67 0.00 3.04 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 86 F 7.95 4.03 0.00 3.31 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.01 4.01 0.00 1.75 1.78 1.22 1.05 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 88 K 7.76 3.46 0.00 1.64 1.70 0.00 1.56 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.14 0.63 7.81 89 R 7.96 4.11 0.00 1.81 1.99 0.00 3.04 0.00 0.00 3.24 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 90 L 8.19 4.52 0.00 2.04 2.01 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.54 4.44 0.00 2.91 2.75 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 92 R 8.38 4.14 0.00 2.00 2.02 0.00 3.43 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 93 N 8.27 4.35 0.00 2.92 2.90 0.00 0.00 7.15 6.76 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 94 L 8.10 3.98 0.00 1.78 1.87 1.11 1.28 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 95 W 8.39 4.40 0.00 3.60 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 96 G 8.25 3.79 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 0.00 0.00 0.00 97 L 7.73 4.05 0.00 1.54 1.70 0.49 0.85 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 98 A 7.31 3.92 0.96 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 0.00 0.00 99 G 6.99 3.60 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 0.00 0.00 0.00 100 L 6.66 4.35 0.00 1.14 1.44 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.31 4.70 0.00 2.72 2.83 0.00 0.00 7.23 7.73 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 0.00 102 S 7.73 4.64 0.00 3.94 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 0.00 103 C 8.34 5.02 0.00 3.06 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 0.00 104 P 0.00 4.53 0.00 2.09 1.99 0.00 3.76 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 2.05 2.10 0.00 105 V 8.07 4.21 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 0.77 0.00 0.00 0.92 0.00 0.00 106 K 7.95 4.54 0.00 1.72 1.17 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.43 7.81 107 E 8.31 4.71 0.00 1.94 1.79 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 2.19 2.26 0.00 108 A 7.77 4.50 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 0.00 109 D 9.05 4.41 0.00 2.69 2.25 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 0.00 110 Q 8.95 4.86 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 111 S 8.41 4.88 0.00 4.12 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 0.00 112 T 8.48 4.45 4.29 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 1.25 0.00 0.00 113 L 8.14 4.00 0.00 1.60 1.77 0.19 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.38 4.04 0.00 2.10 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 0.00 2.39 2.41 0.00 115 N 8.28 4.27 0.00 2.90 2.92 0.00 0.00 6.86 8.03 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 0.00 116 F 8.86 4.09 0.00 3.12 3.19 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 0.00 117 L 8.22 4.12 0.00 2.06 1.72 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.99 3.92 0.00 2.01 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 2.32 2.30 0.00 119 R 8.16 3.70 0.00 1.71 2.03 0.00 2.84 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 120 L 7.45 3.54 0.00 1.44 1.52 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.00 3.75 0.00 1.90 1.85 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 122 T 7.67 3.76 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 1.14 0.00 0.00 123 I 7.77 3.73 1.79 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.83 0.00 0.00 124 M 8.16 4.13 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.87 0.00 125 R 7.69 4.23 0.00 1.86 1.99 0.00 3.07 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 126 E 8.10 4.13 0.00 2.07 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 2.32 0.00 127 K 8.00 4.30 0.00 1.98 1.94 0.00 1.89 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.69 7.81 128 Y 8.09 4.38 0.00 3.06 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 0.00 129 S 7.82 4.46 0.00 3.90 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 0.00 130 K 7.47 4.34 0.00 1.80 0.92 0.00 1.36 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.14 1.16 7.81 131 C 9.00 4.44 0.00 3.08 3.24 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 0.00 132 S 6.98 4.49 0.00 3.74 3.96 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 0.00 133 S 7.88 4.33 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00