NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4214 8.3349 115.2890 58.7041 63.4710 172.2177 2 M 4.2328 8.5779 117.0904 54.9801 33.0749 175.1363 3 Q 4.4942 8.2170 117.4011 56.1354 31.9232 174.4999 4 D 4.6433 7.5736 116.7320 50.8093 41.6713 173.1436 5 P 4.4860 0.0000 0.0000 65.0685 31.9083 178.3996 6 I 3.8393 7.7116 119.2229 64.3201 37.3873 177.8047 7 A 3.9826 9.3330 122.7243 55.2360 18.0769 179.2316 8 D 4.2368 7.7969 115.5406 57.4577 41.3173 177.7893 9 M 3.9299 7.7991 118.6710 58.8569 32.0850 178.1910 10 L 3.9318 7.8162 118.1491 58.0781 41.8798 179.4365 11 T 3.8311 7.6676 114.9797 66.9348 68.3445 176.9746 12 R 4.1631 8.5202 119.9428 59.0458 29.9726 179.3814 13 I 3.8019 7.5244 119.6858 64.2691 37.3698 178.5669 14 R 3.9941 8.2422 117.2811 59.3479 28.8943 178.6241 15 N 4.5213 8.9337 117.6572 55.6953 38.4170 177.7817 16 G 3.5947 7.9111 107.5829 47.8317 0.0000 175.4720 17 Q 4.0578 8.1343 120.6201 58.8798 28.5886 178.9039 18 A 4.0419 7.7015 119.6847 55.4283 18.4438 178.8967 19 A 4.2848 7.4463 114.5566 51.5698 18.2926 176.8396 20 N 4.2592 8.4972 114.5802 54.6966 36.9964 175.0189 21 K 4.1380 7.9948 115.9784 56.8835 33.0560 177.2018 22 A 4.5289 8.7145 122.1687 54.2753 19.6147 177.1954 23 A 5.1903 7.8639 114.5343 50.1948 22.6674 175.2760 24 V 4.5103 8.7404 120.2654 60.2888 34.1862 174.9651 25 T 5.2745 8.1281 118.9337 62.3332 72.3265 172.6832 26 M 4.6208 8.6530 121.0882 53.5535 35.1308 171.9843 27 P 4.7661 0.0000 0.0000 63.6627 31.8410 176.6045 28 S 4.5862 8.3534 118.8306 58.2361 64.6725 173.3036 29 S 4.6386 8.3294 111.7686 56.7716 64.6853 177.2333 30 K 3.8613 8.5198 126.7951 60.0011 31.7730 179.2432 31 L 4.0208 7.8582 119.6157 57.7699 42.0055 178.7757 32 K 3.9030 7.8926 118.0799 59.6194 31.9301 179.1636 33 V 3.4919 8.0922 117.3173 65.9408 31.6586 177.6559 34 A 4.1739 7.8510 120.2539 55.3848 18.1669 179.7223 35 I 3.6356 8.1801 118.4398 64.3131 37.0102 178.0060 36 A 4.0942 8.5673 119.3047 53.2520 18.2509 177.7734 37 N 3.8464 7.7061 116.3252 54.7898 39.8206 177.1086 38 V 3.6258 7.3152 119.7909 66.0164 31.6060 177.8676 39 L 4.1302 7.8909 118.2181 57.9953 41.3897 178.8489 40 K 3.9584 7.5078 118.0093 59.6089 31.8416 178.0589 41 E 3.9889 8.0615 118.8627 59.5299 29.6474 178.2948 42 E 4.2143 8.1362 114.4167 56.1753 29.3366 177.4564 43 G 3.8557 8.1301 106.8620 46.1922 0.0000 175.2329 44 F 4.4408 8.3150 119.8778 59.0660 39.2327 175.9383 45 I 4.6654 7.3519 112.1473 58.4722 39.6607 174.0158 46 E 3.7404 7.5789 120.8994 59.6261 29.6023 179.3041 47 D 4.9801 8.7065 119.6794 55.0712 45.5385 173.5775 48 F 4.9677 8.6497 108.9712 56.6914 40.1430 173.0887 49 K 4.4408 8.8038 121.9425 55.7353 36.1253 174.4217 50 V 4.9602 8.0454 118.3626 60.3967 34.2868 173.5050 51 E 4.5415 8.9407 124.1388 55.3941 32.1906 173.7108 52 G 4.3381 8.7196 116.8142 45.4568 0.0000 173.6739 53 D 4.5084 8.5755 120.4404 55.2004 40.8002 177.9622 54 T 4.0194 7.9401 113.2801 63.5751 67.9680 174.6360 55 K 4.5816 7.5270 119.3599 53.7670 32.1653 173.2726 56 P 4.8198 0.0000 0.0000 62.4075 33.1176 176.3361 57 E 4.4477 9.2996 126.5004 53.6809 31.6261 174.5065 58 L 4.5124 8.7973 130.1580 55.3607 43.6443 175.4518 59 E 4.9572 9.7804 125.6331 54.5002 32.5771 174.6231 60 L 5.1911 9.2606 127.1072 53.2686 45.6254 175.1390 61 T 4.7546 8.1089 114.4311 59.6793 70.5981 173.9480 62 L 4.1913 8.4016 126.9070 55.1260 42.9708 176.2982 63 K 4.2985 8.2766 119.2202 55.6898 35.8489 174.3459 64 Y 5.2241 7.4046 121.7535 55.6629 40.5725 173.1689 65 F 4.4693 8.9401 128.4486 58.9552 40.4820 178.0103 66 Q 4.4979 8.0786 120.9813 55.2274 28.3733 177.6849 67 G 3.6580 8.9848 114.0150 49.1990 0.0000 173.1953 68 K 4.2458 7.7538 119.1295 54.6317 33.4504 175.3197 69 A 4.6145 8.1554 125.1637 51.2765 19.2465 177.6364 70 V 3.8630 7.8981 118.9844 65.8023 31.8496 177.9941 71 V 3.9804 7.7109 125.0683 63.5457 29.0148 175.1152 72 E 4.5565 8.1624 121.4106 55.1745 29.9191 176.2626 73 S 4.4388 7.6245 111.3196 57.9840 67.3277 175.1624 74 I 4.6588 8.3177 125.7799 60.6370 39.4280 173.2155 75 Q 4.6443 8.8705 128.2417 54.0602 33.4362 175.1893 76 R 4.2812 8.3131 121.7147 55.9477 31.6316 175.1822 77 V 4.2063 7.7921 117.1648 64.2977 35.8295 175.8905 78 S 4.3189 7.4800 115.7311 56.9564 60.7588 173.3349 79 R 4.3501 7.3859 121.3207 53.6371 31.3123 175.1858 80 P 4.3850 0.0000 0.0000 64.0798 31.6209 177.1579 81 G 3.8970 9.5816 107.2885 45.8730 0.0000 173.5681 82 L 4.4969 7.1775 115.9235 54.5049 44.2238 174.1522 83 R 4.3830 7.8192 119.0917 55.6455 31.8664 176.3999 84 I 4.6422 8.2028 121.6065 59.8150 40.2873 174.5259 85 Y 4.6483 8.6913 122.7909 56.4629 40.1628 174.8899 86 K 4.6163 8.3305 123.4497 54.9583 35.3275 177.4311 87 R 4.6124 8.2083 121.4340 54.8261 31.9105 177.4896 88 K 4.1229 8.6005 117.1369 59.3995 32.6489 177.3380 89 D 4.9954 8.0373 117.6779 52.9216 39.5453 176.4384 90 E 4.5886 7.7800 118.6892 56.5764 31.8671 176.4396 91 L 3.7930 8.0975 117.3444 54.3466 41.9065 175.4413 92 P 4.4720 0.0000 0.0000 62.1138 32.2271 176.0571 93 K 4.2816 7.8835 116.5595 54.5746 33.6238 176.0607 94 V 3.2856 8.0173 124.9178 64.2878 32.7332 175.4883 95 M 3.0097 9.3658 125.0761 57.3487 30.3497 176.5773 96 A 3.5496 8.9235 115.1963 52.7465 17.1499 177.1374 97 G 3.8228 8.1839 109.8346 47.0664 0.0000 176.3812 98 L 4.0466 8.0092 120.2177 57.8134 41.7321 178.1246 99 G 4.0924 7.8588 104.0505 46.1589 0.0000 172.3624 100 I 4.8476 8.7716 114.9016 59.2591 41.2963 174.7001 101 A 5.0624 9.0053 123.4720 50.1619 21.7563 175.7041 102 V 4.2174 8.3130 123.1169 64.0607 32.9366 175.6570 103 V 4.7580 8.9793 120.9835 59.8504 36.2263 174.1554 104 S 4.7753 8.7760 121.2635 58.3365 63.5477 173.0972 105 T 5.0731 9.2092 117.4259 59.4676 71.9712 174.8396 106 S 4.2899 8.8699 115.2293 59.9580 62.4765 174.4271 107 K 4.2766 9.3859 118.1223 56.9094 33.1583 176.9385 108 G 3.8688 7.0522 105.0312 43.9638 0.0000 171.1326 109 V 4.0957 7.8735 121.1272 63.2722 32.1784 175.9487 110 M 4.9546 9.0379 128.3809 54.2441 36.4929 173.7463 111 T 5.1221 8.2725 112.5206 60.2595 71.4396 175.4265 112 D 4.4383 8.6377 124.4125 56.8673 38.9323 179.3743 113 R 3.9432 7.9441 118.9304 59.3185 30.3542 177.4497 114 A 3.8796 8.2082 119.0579 56.0267 18.1476 179.0095 115 A 3.9635 8.4281 117.3009 55.0386 18.3717 179.8493 116 R 3.7687 7.3499 115.0882 59.7957 30.3174 178.0540 117 Q 4.0668 8.4696 117.8816 59.3089 28.9549 178.1558 118 A 4.1931 7.5485 120.6132 54.1966 18.4616 178.5445 119 G 4.0464 8.2610 104.1505 45.1127 0.0000 172.6513 120 L 4.8528 7.6369 117.8620 53.4467 43.5615 174.9050 121 G 4.2472 8.1104 107.0554 44.0989 0.0000 171.1606 122 G 4.6527 7.5780 104.0065 46.5126 0.0000 171.5237 123 E 4.1645 8.5820 121.6599 55.4758 30.3129 177.2777 124 I 3.9797 7.6774 126.9600 62.3358 37.8966 175.0441 125 I 4.3526 8.3503 122.9975 61.8980 39.6189 175.2928 126 C 4.4631 7.3483 113.4551 57.9283 32.7630 171.2306 127 Y 5.1523 8.5312 117.5404 56.2638 40.2358 175.2367 128 V 4.4420 9.0304 124.2473 60.9418 33.8710 175.2205 129 A 4.5027 9.0514 129.6107 52.1157 19.3068 175.3965 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 S 8.33 4.42 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.58 4.23 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 3 Q 8.22 4.49 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.12 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 4 D 7.57 4.64 0.00 2.63 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 5 P 0.00 4.49 0.00 2.26 2.16 0.00 3.81 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 1.98 2.05 0.00 6 I 7.71 3.84 1.84 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 1.25 0.86 0.00 0.00 7 A 9.33 3.98 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 8 D 7.80 4.24 0.00 2.85 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 9 M 7.80 3.93 0.00 2.32 2.05 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 2.59 2.57 0.00 10 L 7.82 3.93 0.00 1.79 1.65 0.84 0.66 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 11 T 7.67 3.83 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 1.20 0.00 0.00 12 R 8.52 4.16 0.00 1.80 1.99 0.00 3.60 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 13 I 7.52 3.80 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 0.89 0.00 0.00 14 R 8.24 3.99 0.00 2.02 2.16 0.00 2.76 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 15 N 8.93 4.52 0.00 2.79 2.91 0.00 0.00 6.86 7.74 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 16 G 7.91 3.59 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 0.00 17 Q 8.13 4.06 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 18 A 7.70 4.04 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 0.00 0.00 0.00 0.00 0.00 19 A 7.45 4.28 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 20 N 8.50 4.26 0.00 2.74 2.81 0.00 0.00 6.90 7.47 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 21 K 7.99 4.14 0.00 1.88 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 22 A 8.71 4.53 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.86 5.19 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 24 V 8.74 4.51 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 0.97 0.00 0.00 0.96 0.00 0.00 25 T 8.13 5.27 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 1.33 0.00 0.00 26 M 8.65 4.62 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 27 P 0.00 4.77 0.00 2.10 2.11 0.00 3.76 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 1.99 2.02 0.00 28 S 8.35 4.59 0.00 3.83 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 29 S 8.33 4.64 0.00 3.81 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 30 K 8.52 3.86 0.00 1.81 1.89 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.48 7.81 31 L 7.86 4.02 0.00 1.75 1.65 0.91 0.65 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 32 K 7.89 3.90 0.00 2.09 1.86 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.50 7.81 33 V 8.09 3.49 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 1.03 0.00 0.00 1.05 0.00 0.00 34 A 7.85 4.17 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 0.00 0.00 0.00 0.00 0.00 35 I 8.18 3.64 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.85 0.00 0.00 36 A 8.57 4.09 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 37 N 7.71 3.85 0.00 3.07 2.89 0.00 0.00 6.78 7.87 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 38 V 7.32 3.63 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 0.99 0.00 0.00 0.94 0.00 0.00 39 L 7.89 4.13 0.00 1.66 1.78 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.51 3.96 0.00 1.54 1.85 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.46 1.49 7.81 41 E 8.06 3.99 0.00 1.97 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 2.47 0.00 42 E 8.14 4.21 0.00 2.33 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 2.69 2.60 0.00 43 G 8.13 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 44 F 8.31 4.44 0.00 3.22 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 45 I 7.35 4.67 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.93 0.00 0.00 46 E 7.58 3.74 0.00 2.11 1.92 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 2.27 2.34 0.00 47 D 8.71 4.98 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.65 4.97 0.00 3.19 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 49 K 8.80 4.44 0.00 1.72 1.79 0.00 1.29 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.34 7.81 50 V 8.05 4.96 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 0.64 0.00 0.00 0.97 0.00 0.00 51 E 8.94 4.54 0.00 2.31 1.81 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 2.20 2.22 0.00 52 G 8.72 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.58 4.51 0.00 2.78 2.78 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 54 T 7.94 4.02 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 55 K 7.53 4.58 0.00 1.74 1.71 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.32 7.81 56 P 0.00 4.82 0.00 2.11 2.20 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 57 E 9.30 4.45 0.00 1.99 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 2.19 2.22 0.00 58 L 8.80 4.51 0.00 1.88 1.60 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.78 4.96 0.00 1.97 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 2.21 2.42 0.00 60 L 9.26 5.19 0.00 1.81 1.50 1.02 0.45 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 61 T 8.11 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 1.24 0.00 0.00 62 L 8.40 4.19 0.00 1.74 1.73 0.95 0.76 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 63 K 8.28 4.30 0.00 1.69 1.70 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.29 7.81 64 Y 7.40 5.22 0.00 3.20 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 65 F 8.94 4.47 0.00 2.95 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 66 Q 8.08 4.50 0.00 2.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 67 G 8.98 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 0.00 0.00 0.00 68 K 7.75 4.25 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.69 7.81 69 A 8.16 4.61 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.86 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 0.88 0.00 0.00 1.06 0.00 0.00 71 V 7.71 3.98 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 0.68 0.00 0.00 1.02 0.00 0.00 72 E 8.16 4.56 0.00 1.89 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 2.66 2.46 0.00 73 S 7.62 4.44 0.00 3.72 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 74 I 8.32 4.66 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.41 0.86 0.00 0.00 75 Q 8.87 4.64 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 76 R 8.31 4.28 0.00 1.73 1.75 0.00 3.14 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 77 V 7.79 4.21 1.71 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 0.62 0.00 0.00 -0.00 0.00 0.00 78 S 7.48 4.32 0.00 3.67 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 79 R 7.39 4.35 0.00 1.99 1.98 0.00 3.00 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 1.75 1.58 0.00 80 P 0.00 4.39 0.00 2.20 2.09 0.00 3.83 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 1.97 1.95 0.00 81 G 9.58 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 0.00 0.00 0.00 82 L 7.18 4.50 0.00 1.54 1.53 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.82 4.38 0.00 2.06 1.82 0.00 3.33 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 84 I 8.20 4.64 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.16 0.92 0.00 0.00 85 Y 8.69 4.65 0.00 2.74 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 86 K 8.33 4.62 0.00 1.84 1.74 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.59 7.81 87 R 8.21 4.61 0.00 1.99 1.90 0.00 3.30 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 88 K 8.60 4.12 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.44 7.81 89 D 8.04 5.00 0.00 2.76 2.76 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 0.00 0.00 0.00 0.00 90 E 7.78 4.59 0.00 2.02 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 2.24 2.26 0.00 91 L 8.10 3.79 0.00 1.64 1.68 0.93 1.07 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 92 P 0.00 4.47 0.00 1.96 2.11 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 93 K 7.88 4.28 0.00 1.76 1.78 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.22 1.30 7.81 94 V 8.02 3.29 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 0.90 0.00 0.00 0.64 0.00 0.00 95 M 9.37 3.01 0.00 2.27 1.97 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 2.50 0.00 96 A 8.92 3.55 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 97 G 8.18 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 98 L 8.01 4.05 0.00 1.64 1.74 0.99 0.89 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 99 G 7.86 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 0.00 0.00 0.00 100 I 8.77 4.85 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 1.13 0.00 0.00 101 A 9.01 5.06 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 0.00 0.00 0.00 0.00 0.00 102 V 8.31 4.22 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 1.01 0.00 0.00 0.90 0.00 0.00 103 V 8.98 4.76 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 0.71 0.00 0.00 1.00 0.00 0.00 104 S 8.78 4.78 0.00 3.92 3.70 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 0.00 0.00 0.00 0.00 105 T 9.21 5.07 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 1.25 0.00 0.00 106 S 8.87 4.29 0.00 3.87 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 0.00 107 K 9.39 4.28 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 108 G 7.05 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 0.00 109 V 7.87 4.10 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 0.79 0.00 0.00 0.93 0.00 0.00 110 M 9.04 4.95 0.00 2.01 1.94 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 2.51 2.46 0.00 111 T 8.27 5.12 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 1.23 0.00 0.00 112 D 8.64 4.44 0.00 3.04 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 0.00 113 R 7.94 3.94 0.00 1.88 1.95 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 114 A 8.21 3.88 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 0.00 115 A 8.43 3.96 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 0.00 116 R 7.35 3.77 0.00 2.08 2.18 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 117 Q 8.47 4.07 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 118 A 7.55 4.19 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 0.00 119 G 8.26 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 0.00 0.00 0.00 120 L 7.64 4.85 0.00 1.70 1.63 0.99 0.35 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 0.00 121 G 8.11 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 0.00 0.00 0.00 0.00 122 G 7.58 4.65 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 0.00 123 E 8.58 4.16 0.00 1.43 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 0.00 2.07 1.78 0.00 124 I 7.68 3.98 1.75 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.80 0.00 0.00 125 I 8.35 4.35 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.37 0.83 0.00 0.00 126 C 7.35 4.46 0.00 2.98 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 0.00 127 Y 8.53 5.15 0.00 2.82 2.72 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 0.00 128 V 9.03 4.44 1.66 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 0.02 0.00 0.00 0.75 0.00 0.00 129 A 9.05 4.50 1.20 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