NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4141 8.3049 118.1855 54.9016 32.1290 176.0375 2 S 4.2938 8.7496 112.8259 59.4911 65.0556 173.0581 3 K 4.4125 8.7143 120.7311 56.7853 33.6553 175.9668 4 K 4.9349 9.3958 124.0378 55.7229 34.7613 175.9500 5 V 4.7838 8.4359 121.1517 61.6927 35.3856 173.0147 6 L 4.9409 8.8680 130.5797 53.7979 43.9850 174.6356 7 L 5.0616 9.1064 128.9527 53.3196 44.7282 175.0526 8 V 4.6554 8.8015 127.5388 61.5410 33.6932 173.9171 9 D 5.0865 8.7570 126.9128 53.7094 44.3365 175.1298 10 D 4.9933 8.9411 122.9698 53.8325 39.6199 175.4379 11 S 4.5988 8.4301 116.3783 56.6541 64.0120 174.2724 12 A 3.9390 8.6753 130.0275 55.3860 18.0132 179.0391 13 V 3.5249 7.8760 116.1988 66.4799 31.4115 177.8755 14 L 4.0343 7.9414 119.5478 57.9040 41.9342 179.0750 15 R 3.8987 8.0683 118.2373 59.0008 30.0047 178.4916 16 K 3.8222 8.4719 119.8055 60.0108 32.0232 178.5807 17 I 3.8039 7.5421 118.1061 63.8906 37.8955 178.0869 18 V 3.6398 8.0514 119.4445 65.7476 31.3170 177.8945 19 S 4.1363 8.6973 113.3036 61.4860 62.3393 175.5820 20 F 3.9980 8.9077 123.6292 61.8486 38.7969 177.0252 21 N 4.5889 8.1117 114.6135 56.1455 38.6217 177.1574 22 L 4.3858 8.2291 120.4752 58.1330 41.7864 179.8656 23 K 4.4803 8.2532 119.4424 58.5721 31.7332 179.1457 24 K 3.7718 7.5446 118.4651 58.1982 32.0317 176.8923 25 E 4.2384 7.8974 117.0053 55.9843 30.1040 175.2039 26 G 4.1124 8.4865 111.3050 46.0205 0.0000 174.3523 27 Y 5.1757 6.6377 116.5453 57.5098 39.2655 175.8168 28 E 4.8216 8.8862 122.5146 55.0964 32.6230 174.7115 29 V 5.0996 8.1007 114.7132 59.7595 36.0628 174.8592 30 I 4.5354 8.7692 124.7945 59.5626 39.9196 175.1987 31 E 4.8021 8.9143 126.1721 56.2404 31.1379 176.9082 32 A 4.3929 8.5758 123.5456 50.7286 21.2286 176.7173 33 E 4.0544 8.9906 123.6934 59.7732 30.1546 175.9559 34 N 5.0589 7.5531 113.8970 51.0286 40.0854 174.9391 35 G 3.5379 8.2503 103.0579 48.5318 0.0000 175.3847 36 Q 3.9958 8.2010 120.3579 58.9178 28.6971 178.8382 37 I 3.6768 8.7206 120.4192 64.5446 37.0415 178.0829 38 A 3.9466 7.9304 120.7233 55.5207 18.4057 179.4640 39 L 3.9269 7.7295 116.6067 57.5523 41.3838 179.2941 40 E 4.0131 8.2515 118.6397 59.6089 29.3426 179.5549 41 K 3.9890 8.3315 116.2582 58.2658 32.4500 177.9923 42 L 4.2369 8.0431 121.2056 56.4756 42.5941 178.1111 43 S 4.4656 7.5971 113.0906 61.0663 62.7499 176.0354 44 E 4.3765 8.2009 121.6786 58.2744 29.9188 175.5569 45 F 4.9355 7.8825 110.1037 55.6144 41.1479 173.2824 46 T 4.0153 8.1947 109.8502 58.8843 69.7149 172.0934 47 P 4.5500 0.0000 0.0000 62.7691 31.9153 176.3473 48 D 4.6865 7.9586 119.8584 55.7298 41.8467 176.5755 49 L 4.6303 7.6233 119.2103 53.5293 46.0219 174.2242 50 I 4.9892 8.3691 124.7290 59.4244 40.8429 174.5712 51 V 4.7664 8.9796 126.6966 61.1371 33.7015 173.9124 52 L 5.0596 9.0623 130.8636 53.2311 44.6388 175.5415 53 D 5.0216 8.3064 125.2266 51.7957 42.1084 176.2734 54 I 3.7534 8.0849 118.0285 63.4435 37.8852 176.0982 55 M 4.4180 7.6957 126.6236 55.4369 31.8482 175.7646 56 M 4.8113 7.9664 119.8574 53.3803 34.3317 173.4918 57 P 4.3424 0.0000 0.0000 65.9361 31.9474 178.5346 58 V 3.7515 7.8209 115.9346 65.4694 32.0590 175.6686 59 M 4.7474 7.5918 118.1273 52.9639 35.3248 173.7716 60 D 4.8813 8.0658 123.4780 52.1518 42.7545 177.9012 61 G 3.5806 8.5403 107.5199 46.9785 0.0000 176.1770 62 F 4.4241 7.9628 119.9002 60.8293 39.1517 177.3882 63 T 3.9290 8.4516 109.4670 64.9627 68.3894 176.2080 64 V 3.5080 7.6231 120.5319 65.8586 31.6786 177.8266 65 L 3.9952 7.9646 118.5022 57.7781 41.1570 179.5662 66 K 3.9503 7.5836 118.7344 59.6576 32.3502 178.8238 67 K 4.2096 7.9348 117.5676 59.4438 31.8035 178.8823 68 L 4.3810 7.9856 119.3696 58.1856 41.4359 178.6814 69 Q 4.4025 8.1010 116.7977 56.5598 30.2746 175.7350 70 E 4.7405 7.2152 114.6123 54.2016 29.5808 176.0012 71 K 4.1098 7.1494 116.1319 56.3570 35.5902 175.0570 72 E 3.9827 8.9409 126.0913 59.6335 29.6852 178.3702 73 E 4.1569 7.8887 116.8174 58.8879 30.1981 178.2384 74 W 4.5699 8.2812 118.4137 59.5658 29.7802 178.4996 75 K 4.0943 8.5965 119.1521 59.4877 31.6646 177.1286 76 R 4.1221 7.8809 116.2695 57.3204 30.4607 175.8097 77 I 3.9844 7.6602 111.9815 59.7092 38.0232 174.0792 78 P 4.4561 0.0000 0.0000 62.4159 32.8508 175.5051 79 V 4.7993 8.2092 121.7129 61.2261 34.9526 173.9624 80 I 4.7227 8.5026 128.8581 60.0429 38.9481 174.8447 81 V 4.4517 8.6599 128.1678 62.0022 33.1268 174.7304 82 L 5.0667 8.9028 128.6307 53.4142 43.0945 175.1268 83 T 4.7197 8.3566 117.8786 59.9322 70.3543 174.6689 84 A 4.2478 8.6627 128.2180 53.8786 19.0282 177.9698 85 K 4.2200 8.0877 116.1180 56.0016 31.7346 177.1007 86 G 3.6544 9.0539 114.3129 47.8763 0.0000 172.6419 87 G 3.9791 7.6043 109.5788 44.4257 0.0000 174.0294 88 E 4.1525 8.9029 126.7463 57.6460 29.4316 179.0843 89 E 4.0416 8.0647 119.4625 59.6760 29.7781 178.2274 90 D 4.5776 8.1520 118.8991 57.8143 40.8309 179.1209 91 E 4.0805 8.1735 118.9097 59.3738 29.7375 178.9835 92 S 4.1060 7.6505 113.9352 61.4946 62.5944 176.2307 93 L 4.0974 8.5122 122.6556 57.1262 41.6546 178.2195 94 A 4.5829 7.4472 118.5088 54.4638 19.9064 179.0831 95 L 4.1350 8.1020 117.8887 58.0414 41.5457 179.9828 96 S 4.1805 8.4125 112.5352 60.6929 63.1373 174.4351 97 L 4.4124 7.0686 122.5109 55.2189 41.6248 175.8966 98 G 4.1369 8.3332 108.5881 45.7305 0.0000 175.2125 99 A 4.0674 7.6757 121.3134 52.8385 18.7304 176.9702 100 R 4.5776 7.9264 118.2927 55.8182 31.7531 175.7495 101 K 4.3108 7.5335 115.9660 56.3172 35.6092 173.3759 102 V 4.7335 8.6221 127.1954 61.3039 33.9155 174.1916 103 M 4.7682 9.1133 127.3841 53.5039 34.7712 174.8840 104 R 4.5078 8.8739 125.4240 56.4580 31.0965 176.1415 105 K 4.9627 8.7161 122.2873 53.8671 34.2483 174.9189 106 P 4.4464 0.0000 0.0000 62.8234 31.9339 175.5577 107 F 5.0078 7.6452 114.3339 54.3291 41.2211 174.5820 108 S 4.4280 8.6133 115.8388 56.9960 63.3770 173.1119 109 P 4.7252 0.0000 0.0000 65.7052 31.0847 178.8641 110 S 4.2100 8.1095 112.6950 61.6262 63.0451 176.2615 111 Q 4.0248 7.9084 122.2020 58.4902 28.4470 178.6765 112 F 4.1877 8.8476 121.8707 61.5519 39.4771 177.1619 113 I 3.4475 8.2588 119.5219 64.3918 36.6327 177.9098 114 E 4.0680 8.4330 120.3125 59.2248 29.3893 178.6371 115 E 3.9691 8.2368 119.5484 59.0961 29.5980 178.8068 116 V 3.3922 7.4316 117.3659 65.4679 31.6706 178.0675 117 K 4.1414 8.5265 118.8378 59.7131 32.0185 178.5275 118 H 4.1303 7.7726 117.0986 59.5445 29.5467 177.1371 119 L 4.0633 7.6960 118.5180 56.7387 41.5037 178.3824 120 L 4.4425 7.4968 117.1537 54.7838 42.0817 176.6089 121 N 5.0262 7.5566 116.0817 52.7329 39.5189 174.3383 122 E 4.0444 8.2676 123.4226 56.7756 29.5016 176.9605 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 4.41 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 2 S 8.75 4.29 0.00 4.01 3.94 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 3 K 8.71 4.41 0.00 1.85 1.67 0.00 1.67 0.00 0.00 1.94 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.47 7.81 4 K 9.40 4.93 0.00 1.84 1.91 0.00 1.79 0.00 0.00 1.39 0.00 0.00 2.59 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.42 7.81 5 V 8.44 4.78 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 1.04 0.00 0.00 0.74 0.00 0.00 6 L 8.87 4.94 0.00 1.93 1.48 1.04 -0.01 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 7 L 9.11 5.06 0.00 1.70 1.51 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.80 4.66 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 0.90 0.00 0.00 0.87 0.00 0.00 9 D 8.76 5.09 0.00 2.67 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 10 D 8.94 4.99 0.00 2.81 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 11 S 8.43 4.60 0.00 3.78 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 12 A 8.68 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.52 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 1.00 0.00 0.00 0.92 0.00 0.00 14 L 7.94 4.03 0.00 1.84 1.64 0.98 1.05 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 15 R 8.07 3.90 0.00 2.09 2.05 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 16 K 8.47 3.82 0.00 1.79 2.00 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 17 I 7.54 3.80 1.84 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 1.34 1.07 1.02 0.00 0.00 18 V 8.05 3.64 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 0.81 0.00 0.00 0.79 0.00 0.00 19 S 8.70 4.14 0.00 3.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.91 4.00 0.00 3.27 3.25 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 21 N 8.11 4.59 0.00 3.10 3.13 0.00 0.00 7.12 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 22 L 8.23 4.39 0.00 2.20 1.90 1.18 0.91 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 23 K 8.25 4.48 0.00 1.66 1.77 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.45 7.81 24 K 7.54 3.77 0.00 1.64 1.90 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.27 7.81 25 E 7.90 4.24 0.00 1.49 1.38 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 2.18 2.37 0.00 26 G 8.49 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 6.64 5.18 0.00 2.95 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 28 E 8.89 4.82 0.00 2.10 1.80 0.00 0.00 0.00 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 2.36 0.00 29 V 8.10 5.10 2.14 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 0.85 0.00 0.00 0.97 0.00 0.00 30 I 8.77 4.54 1.98 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.54 0.94 0.00 0.00 31 E 8.91 4.80 0.00 1.86 1.88 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 2.32 2.33 0.00 32 A 8.58 4.39 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 33 E 8.99 4.05 0.00 2.01 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 2.37 2.31 0.00 34 N 7.55 5.06 0.00 2.92 2.88 0.00 0.00 6.17 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 35 G 8.25 3.54 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 0.00 36 Q 8.20 4.00 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 37 I 8.72 3.68 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 1.74 0.91 0.92 0.00 0.00 38 A 7.93 3.95 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 39 L 7.73 3.93 0.00 1.75 1.75 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.25 4.01 0.00 2.19 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 0.00 2.37 2.40 0.00 41 K 8.33 3.99 0.00 1.96 2.02 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.56 1.63 7.81 42 L 8.04 4.24 0.00 1.67 1.47 -0.12 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.60 4.47 0.00 4.01 4.15 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 44 E 8.20 4.38 0.00 2.34 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 0.00 2.37 2.60 0.00 45 F 7.88 4.94 0.00 3.27 2.97 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 46 T 8.19 4.02 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 1.28 0.00 0.00 47 P 0.00 4.55 0.00 1.91 2.11 0.00 3.17 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 48 D 7.96 4.69 0.00 2.35 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 49 L 7.62 4.63 0.00 1.57 1.29 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.37 4.99 1.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.49 0.82 0.00 0.00 51 V 8.98 4.77 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 0.92 0.00 0.00 1.12 0.00 0.00 52 L 9.06 5.06 0.00 1.65 1.39 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.31 5.02 0.00 2.88 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 54 I 8.08 3.75 1.63 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.12 0.00 0.00 55 M 7.70 4.42 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 56 M 7.97 4.81 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 57 P 0.00 4.34 0.00 2.06 2.14 0.00 3.66 0.00 0.00 3.57 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 58 V 7.82 3.75 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 0.78 0.00 0.00 0.93 0.00 0.00 59 M 7.59 4.75 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 60 D 8.07 4.88 0.00 3.04 2.82 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 61 G 8.54 3.58 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 0.00 62 F 7.96 4.42 0.00 3.47 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 63 T 8.45 3.93 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 1.31 0.00 0.00 64 V 7.62 3.51 2.16 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 0.93 0.00 0.00 0.93 0.00 0.00 65 L 7.96 4.00 0.00 2.00 2.00 1.03 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.58 3.95 0.00 1.98 2.00 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.52 7.81 67 K 7.93 4.21 0.00 1.91 2.12 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.56 7.81 68 L 7.99 4.38 0.00 1.90 1.76 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.10 4.40 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.32 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 70 E 7.22 4.74 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 71 K 7.15 4.11 0.00 1.62 1.52 0.00 1.32 0.00 0.00 1.35 0.00 0.00 3.01 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 1.04 7.81 72 E 8.94 3.98 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 73 E 7.89 4.16 0.00 1.92 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 2.20 2.30 0.00 74 W 8.28 4.57 0.00 3.46 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 75 K 8.60 4.09 0.00 1.90 2.00 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.46 7.81 76 R 7.88 4.12 0.00 1.83 1.94 0.00 3.45 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 77 I 7.66 3.98 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.98 0.00 0.00 78 P 0.00 4.46 0.00 2.04 1.97 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 79 V 8.21 4.80 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 0.98 0.00 0.00 0.91 0.00 0.00 80 I 8.50 4.72 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.42 0.97 0.00 0.00 81 V 8.66 4.45 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 0.83 0.00 0.00 0.90 0.00 0.00 82 L 8.90 5.07 0.00 1.40 1.37 -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.36 4.72 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 1.26 0.00 0.00 84 A 8.66 4.25 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 85 K 8.09 4.22 0.00 1.79 2.04 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.41 7.81 86 G 9.05 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 87 G 7.60 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 88 E 8.90 4.15 0.00 2.08 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 2.42 2.49 0.00 89 E 8.06 4.04 0.00 2.02 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 2.40 2.40 0.00 90 D 8.15 4.58 0.00 2.92 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 91 E 8.17 4.08 0.00 2.06 2.17 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 2.40 2.43 0.00 92 S 7.65 4.11 0.00 4.11 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 93 L 8.51 4.10 0.00 1.63 1.92 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.45 4.58 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.10 4.13 0.00 1.72 1.74 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.41 4.18 0.00 3.93 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 97 L 7.07 4.41 0.00 2.08 1.88 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.33 4.14 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 0.00 0.00 0.00 99 A 7.68 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 0.00 100 R 7.93 4.58 0.00 1.79 2.03 0.00 3.34 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 101 K 7.53 4.31 0.00 1.77 1.56 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.36 7.81 102 V 8.62 4.73 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 0.85 0.00 0.00 1.00 0.00 0.00 103 M 9.11 4.77 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 104 R 8.87 4.51 0.00 1.78 1.90 0.00 3.26 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 105 K 8.72 4.96 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.44 7.81 106 P 0.00 4.45 0.00 2.01 1.92 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 107 F 7.65 5.01 0.00 3.13 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 0.00 108 S 8.61 4.43 0.00 3.95 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 0.00 109 P 0.00 4.73 0.00 2.30 2.25 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 110 S 8.11 4.21 0.00 4.11 4.18 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 0.00 111 Q 7.91 4.02 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 112 F 8.85 4.19 0.00 3.19 3.54 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 0.00 113 I 8.26 3.45 2.10 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.90 0.98 0.00 0.00 114 E 8.43 4.07 0.00 2.19 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 2.30 2.33 0.00 115 E 8.24 3.97 0.00 2.17 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 2.27 2.29 0.00 116 V 7.43 3.39 1.86 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 0.58 0.00 0.00 -0.12 0.00 0.00 117 K 8.53 4.14 0.00 1.93 1.87 0.00 1.94 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.61 7.81 118 H 7.77 4.13 0.00 3.25 3.30 0.00 5.78 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 0.00 119 L 7.70 4.06 0.00 1.60 1.63 0.86 0.84 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 0.00 120 L 7.50 4.44 0.00 1.70 1.64 0.27 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.56 5.03 0.00 2.68 2.77 0.00 0.00 6.98 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 0.00 122 E 8.27 4.04 0.00 1.91 1.82 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 2.22 2.39 0.00