NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9781 8.3393 109.7402 45.0784 0.0000 173.4156 0 S 4.1288 8.3117 114.4911 57.6334 63.7485 172.5670 1 M 4.2921 8.5850 123.8241 54.5613 33.8375 177.1200 2 A 4.2399 8.0200 122.4142 52.1942 19.4234 177.4107 3 V 4.0581 8.8740 121.4790 61.7042 32.1576 175.9864 4 N 4.7214 8.8442 125.5352 52.8830 39.3602 174.4881 5 V 4.2523 8.1404 119.9832 61.2405 33.9709 174.4263 6 Y 4.9757 8.6773 124.2597 55.6275 41.0059 176.8632 7 S 4.2741 8.8629 115.4402 61.2707 63.0423 175.3214 8 T 4.3152 7.8772 108.8657 61.9980 69.3549 175.1429 9 S 4.3193 7.8451 119.4476 58.2171 63.4299 174.0746 10 V 3.7644 8.2493 124.6173 62.9419 31.6715 175.2310 11 T 4.6625 7.9912 115.8567 59.6190 71.9777 173.3607 12 S 4.3124 8.2242 117.9531 57.8019 63.4425 174.3101 13 E 4.1322 8.3027 119.8605 55.9820 29.9357 176.6946 14 N 4.4474 8.4539 117.3151 53.7563 39.2057 174.5957 15 L 4.6634 8.0367 120.8772 53.0646 43.6293 177.6887 16 S 4.5703 8.3776 116.4670 58.2229 64.9908 175.4736 17 R 4.1889 8.8406 121.7817 60.0134 29.7745 178.6316 18 H 4.1642 8.3394 117.1183 59.6400 29.9770 176.9279 19 D 4.4068 8.3086 120.6581 57.3292 40.6243 178.4634 20 M 4.2121 8.5199 119.1056 58.8450 32.2658 178.3638 21 L 4.1372 8.3904 119.0500 57.6335 41.6669 179.2569 22 A 3.9761 8.2764 120.9847 54.9084 18.2665 179.4844 23 W 4.0964 8.3968 126.7738 60.5611 30.8182 178.2875 24 V 3.0092 7.9774 118.1228 65.9689 30.9684 177.7918 25 N 4.0912 8.2771 116.4168 56.3214 38.1444 177.2325 26 D 4.3125 7.9782 119.3944 57.4535 40.9764 178.7746 27 S 4.1591 7.7259 114.6615 60.6351 62.8797 175.7631 28 L 4.3561 7.1864 117.6677 53.1488 43.0520 175.6432 29 H 3.8834 8.0127 117.0456 57.6084 27.7347 172.4561 30 L 4.6886 7.4624 118.0106 53.1689 44.9246 176.2996 31 N 5.0960 8.0705 114.7549 53.1763 39.4833 175.0459 32 Y 4.6672 8.4696 116.0541 58.5072 38.5768 176.5421 33 T 4.6678 9.6084 112.0509 60.9865 70.8148 174.2634 34 K 4.7277 7.9233 121.3863 53.7767 35.9457 177.1395 35 I 3.9053 8.6447 123.4751 64.6423 37.0535 178.4110 36 E 4.1480 8.3011 118.4906 58.8545 29.0129 178.8905 37 Q 3.7969 7.9240 118.2655 58.2283 28.5949 178.1468 38 L 4.1731 7.9392 119.9510 56.6885 41.4349 178.3549 39 C 4.5914 7.6836 114.0965 60.1202 29.6618 175.2762 40 S 3.3949 7.3857 116.0278 59.3722 62.9210 175.8688 41 G 3.1876 7.9355 110.6522 45.4108 0.0000 175.5563 42 A 3.6822 7.4799 121.2497 54.9762 18.1976 179.4773 43 A 3.6510 7.7280 118.7941 55.3908 18.4911 179.1107 44 Y 4.1897 7.4683 114.6784 61.5769 38.0371 178.7165 45 C 4.2658 7.9689 117.0302 63.0275 28.2346 176.2377 46 Q 4.1443 8.1271 119.5917 59.0550 28.1932 178.8539 47 F 4.3589 8.5065 119.1966 60.9046 38.9082 177.6348 48 M 4.4525 8.6702 118.5134 58.5615 31.3970 178.3068 49 D 4.5020 8.2848 118.0791 57.4881 41.1870 177.9932 50 M 3.7865 7.5900 118.0415 58.2758 32.2095 178.0585 51 L 3.8575 7.9067 118.3840 56.3983 43.2390 178.0983 52 F 4.9625 8.1811 118.9052 54.0089 39.5607 170.9030 53 P 4.9331 0.0000 0.0000 63.6014 31.7630 176.9268 54 G 4.1438 8.9291 112.3391 45.4146 0.0000 173.9480 55 C 4.4607 8.4779 114.3367 59.2114 30.3360 173.6994 56 V 4.4971 7.4806 119.2340 60.2682 33.9926 175.7798 57 H 4.7973 8.4111 120.3462 54.7127 27.4787 175.7725 58 L 4.2218 8.2190 124.4524 57.1629 42.0989 179.8203 59 R 4.1005 8.1376 116.6949 58.6705 30.0605 177.5542 60 K 4.2960 7.9613 115.6620 57.1651 32.6204 177.3334 61 V 3.6705 7.5231 119.8255 62.3452 31.7762 175.4751 62 K 4.3495 8.8968 127.6989 55.1860 31.7243 176.6463 63 F 4.3962 8.7662 123.2945 58.6964 39.4260 176.2822 64 Q 4.6739 7.8240 121.3220 55.0692 29.4685 175.1480 65 A 4.3112 8.2017 119.0156 52.1817 18.9645 178.3148 66 K 4.6578 9.3972 119.9643 55.4267 34.7022 176.4562 67 L 4.4912 7.1953 118.0626 51.9161 44.9444 176.5766 68 E 3.7147 8.6164 122.1706 60.0075 29.3685 179.2211 69 H 4.2497 8.0422 114.2012 58.7569 28.4383 177.2277 70 E 3.9740 7.7461 121.2802 59.1202 29.2969 178.7337 71 Y 4.6278 7.5049 117.7177 60.8121 38.0668 178.3388 72 I 3.8683 8.3284 121.1563 64.6494 37.2655 177.6445 73 H 4.0689 8.4353 119.0057 59.7270 29.6721 177.0015 74 N 4.2978 8.2518 117.9369 56.3307 38.2546 177.5326 75 F 4.1166 8.3545 119.0818 60.0568 38.9040 177.9191 76 K 3.9545 8.2782 118.6161 59.4150 31.8965 179.2993 77 V 3.5796 7.5267 118.0002 65.9738 31.3030 177.8661 78 L 3.9454 7.8818 119.9743 58.1379 41.8792 178.6515 79 Q 3.7558 8.4100 119.7449 59.0670 28.9513 178.1086 80 A 4.0043 8.1856 121.6021 55.1133 18.3996 179.5044 81 A 4.3094 7.9351 120.5632 54.7592 18.4044 179.8167 82 F 4.2459 8.7850 116.5824 60.6974 39.1111 177.6339 83 K 3.9248 8.4180 119.2799 59.5980 31.7676 178.5164 84 K 3.9582 8.0550 118.3872 59.5004 32.4444 177.6719 85 M 4.2427 8.1699 116.6508 54.3730 31.8841 176.9641 86 G 3.7236 7.6384 106.6730 46.3130 0.0000 173.9167 87 V 3.9742 7.9500 120.5351 62.1669 31.6041 175.4998 88 D 4.7430 8.8110 126.1765 52.8021 40.0239 176.5991 89 K 3.7769 7.6467 122.2652 56.4324 32.5199 175.9877 90 I 3.9092 8.0561 127.5434 60.9152 37.6427 175.3769 91 I 3.8123 8.0909 127.0697 59.8508 38.0535 175.9320 92 P 4.3896 0.0000 0.0000 61.2833 27.9761 176.5486 93 V 2.8004 7.1380 124.3179 66.7485 31.7915 176.4974 94 E 3.8883 7.9647 116.0905 59.6380 29.6278 179.2659 95 K 4.0933 7.7534 117.6947 59.2086 32.1373 179.3424 96 L 3.9107 7.6515 119.2667 57.8705 41.3286 179.9024 97 V 3.8366 7.4748 110.2700 63.4844 31.6054 178.1019 98 K 4.2936 7.5398 116.6598 56.7261 31.9038 177.3585 99 G 3.9199 8.1031 107.4248 46.6230 0.0000 174.4819 100 K 4.2272 7.8750 119.3708 55.3948 33.6453 176.9917 101 F 4.1171 8.9092 126.3304 61.5296 39.4840 176.9530 102 Q 3.9925 8.2935 118.4961 59.5523 28.9015 178.0644 103 D 4.3818 8.0536 119.2206 57.4890 40.9134 178.4116 104 N 4.5337 8.1132 116.6870 56.0998 38.5422 177.3943 105 F 4.3041 8.4503 122.6421 61.2721 39.4437 177.1180 106 E 3.8920 8.3849 118.3490 59.3467 29.2070 179.1189 107 F 4.2796 8.3808 120.6842 61.4869 39.4251 177.0838 108 I 4.0963 8.1514 118.2213 64.0028 37.6288 177.9093 109 Q 3.8142 7.9698 119.2485 58.4908 28.4533 178.4924 110 W 3.9432 8.0964 129.3221 60.3957 30.8076 177.8130 111 F 3.0171 8.4823 121.0377 60.6928 38.7019 176.8513 112 K 3.1700 8.1871 119.5888 59.1938 31.8436 178.9016 113 K 3.6279 7.2778 118.6326 59.1663 31.8271 178.9279 114 F 3.4923 7.3051 121.2073 60.9710 39.0075 176.8439 115 F 3.4087 7.8402 120.2141 61.3358 38.9508 176.7736 116 D 4.2820 7.8045 116.8777 57.2712 40.6554 178.3899 117 A 3.9884 7.4652 119.6473 53.7864 18.4152 177.6298 118 N 4.5738 6.7688 111.8953 53.0204 41.0115 174.3809 119 Y 3.9461 7.4689 120.1100 57.0564 39.1128 174.6029 120 D 4.3021 8.0253 125.1316 52.7922 40.0092 177.1411 121 G 3.5441 5.3800 107.7551 44.9685 0.0000 174.0793 122 K 4.1691 7.3398 118.6537 56.2966 33.1949 176.8734 123 D 4.6062 8.5402 120.7689 54.7382 41.3993 175.4189 124 Y 4.6099 8.3646 122.4832 55.8750 41.0680 174.2740 125 N 4.4604 8.0556 126.6368 51.3006 38.5253 173.4188 126 P 4.1121 0.0000 0.0000 64.5058 32.1384 177.7500 127 L 4.0078 7.9819 119.8435 57.2713 41.8845 179.2304 128 L 3.8770 7.2822 117.9045 57.5883 41.5498 178.4009 129 A 4.1784 7.7699 119.5227 53.8357 18.8563 177.3274 130 R 3.8970 7.2599 119.1363 56.1658 30.1968 176.1583 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 G 8.34 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 0 S 8.31 4.13 0.00 4.07 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 1 M 8.59 4.29 0.00 1.85 1.99 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 2.57 2.44 0.00 2 A 8.02 4.24 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 0.00 0.00 3 V 8.87 4.06 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 0.73 0.00 0.00 0.88 0.00 0.00 4 N 8.84 4.72 0.00 2.77 2.16 0.00 0.00 6.88 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.14 4.25 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 0.81 0.00 0.00 0.79 0.00 0.00 6 Y 8.68 4.98 0.00 3.07 2.85 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 7 S 8.86 4.27 0.00 4.03 4.08 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 8 T 7.88 4.32 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 1.22 0.00 0.00 9 S 7.85 4.32 0.00 4.02 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 10 V 8.25 3.76 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 0.79 0.00 0.00 0.93 0.00 0.00 11 T 7.99 4.66 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 1.21 0.00 0.00 12 S 8.22 4.31 0.00 3.76 3.76 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 13 E 8.30 4.13 0.00 2.05 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 2.24 2.27 0.00 14 N 8.45 4.45 0.00 2.69 2.77 0.00 0.00 6.89 7.85 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 15 L 8.04 4.66 0.00 1.63 1.62 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.38 4.57 0.00 4.16 4.10 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 17 R 8.84 4.19 0.00 1.95 2.15 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 18 H 8.34 4.16 0.00 3.31 3.38 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 19 D 8.31 4.41 0.00 2.83 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 20 M 8.52 4.21 0.00 2.46 2.30 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.83 0.00 21 L 8.39 4.14 0.00 1.81 1.79 1.05 1.08 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 22 A 8.28 3.98 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 23 W 8.40 4.10 0.00 3.37 3.44 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 0.00 24 V 7.98 3.01 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 0.57 0.00 0.00 1.13 0.00 0.00 25 N 8.28 4.09 0.00 2.86 2.82 0.00 0.00 7.09 7.93 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 26 D 7.98 4.31 0.00 2.64 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 27 S 7.73 4.16 0.00 3.39 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 28 L 7.19 4.36 0.00 1.20 1.32 -0.27 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.01 3.88 0.00 3.16 3.22 0.00 5.68 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 30 L 7.46 4.69 0.00 1.26 1.01 0.17 0.52 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 31 N 8.07 5.10 0.00 2.67 2.77 0.00 0.00 6.91 7.46 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 32 Y 8.47 4.67 0.00 2.92 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 33 T 9.61 4.67 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 1.25 0.00 0.00 34 K 7.92 4.73 0.00 1.76 1.71 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.42 7.81 35 I 8.64 3.91 2.11 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.44 1.03 0.00 0.00 36 E 8.30 4.15 0.00 2.05 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 2.69 2.59 0.00 37 Q 7.92 3.80 0.00 1.41 0.88 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 2.09 2.18 0.00 38 L 7.94 4.17 0.00 1.96 1.75 1.16 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 C 7.68 4.59 0.00 3.32 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 40 S 7.39 3.39 0.00 4.07 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 41 G 7.94 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 0.00 0.00 0.00 42 A 7.48 3.68 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 43 A 7.73 3.65 1.03 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 0.00 0.00 0.00 0.00 0.00 44 Y 7.47 4.19 0.00 3.03 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 45 C 7.97 4.27 0.00 3.10 2.98 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 46 Q 8.13 4.14 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 47 F 8.51 4.36 0.00 3.51 3.56 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 M 8.67 4.45 0.00 2.42 2.58 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.20 3.46 0.00 49 D 8.28 4.50 0.00 3.01 2.98 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 50 M 7.59 3.79 0.00 2.08 0.95 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 2.58 2.58 0.00 51 L 7.91 3.86 0.00 1.18 0.13 0.78 0.12 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 52 F 8.18 4.96 0.00 3.10 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 53 P 0.00 4.93 0.00 2.14 2.16 0.00 3.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 54 G 8.93 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 55 C 8.48 4.46 0.00 3.26 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.48 4.50 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 1.01 0.00 0.00 1.01 0.00 0.00 57 H 8.41 4.80 0.00 3.27 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.22 4.22 0.00 1.85 1.94 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.14 4.10 0.00 1.85 2.06 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 60 K 7.96 4.30 0.00 1.97 1.92 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.42 7.81 61 V 7.52 3.67 1.76 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 -0.25 0.00 0.00 0.82 0.00 0.00 62 K 8.90 4.35 0.00 1.70 1.74 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.46 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.30 7.81 63 F 8.77 4.40 0.00 3.06 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 64 Q 7.82 4.67 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 65 A 8.20 4.31 1.44 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 0.00 0.00 0.00 66 K 9.40 4.66 0.00 1.61 1.77 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.55 7.81 67 L 7.20 4.49 0.00 1.30 1.30 0.89 0.75 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 68 E 8.62 3.71 0.00 1.98 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 2.40 2.45 0.00 69 H 8.04 4.25 0.00 3.36 3.52 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.75 3.97 0.00 1.97 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 2.21 1.95 0.00 71 Y 7.50 4.63 0.00 3.20 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 72 I 8.33 3.87 2.11 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 1.45 0.88 0.95 0.00 0.00 73 H 8.44 4.07 0.00 3.39 3.59 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 74 N 8.25 4.30 0.00 2.90 2.58 0.00 0.00 7.12 8.30 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 75 F 8.35 4.12 0.00 3.07 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 76 K 8.28 3.95 0.00 1.91 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.59 7.81 77 V 7.53 3.58 2.19 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 1.03 0.00 0.00 0.90 0.00 0.00 78 L 7.88 3.95 0.00 1.66 1.70 1.13 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.41 3.76 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 80 A 8.19 4.00 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 81 A 7.94 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.78 4.25 0.00 3.22 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 83 K 8.42 3.92 0.00 1.89 2.03 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 84 K 8.05 3.96 0.00 1.94 2.06 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 85 M 8.17 4.24 0.00 1.63 2.06 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.81 0.00 86 G 7.64 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 0.00 0.00 0.00 87 V 7.95 3.97 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 0.06 0.00 0.00 0.71 0.00 0.00 88 D 8.81 4.74 0.00 2.87 2.81 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 0.00 0.00 0.00 89 K 7.65 3.78 0.00 1.19 1.36 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 0.95 7.81 90 I 8.06 3.91 1.79 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 1.37 0.88 0.83 0.00 0.00 91 I 8.09 3.81 1.58 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.35 0.19 0.00 0.00 92 P 0.00 4.39 0.00 2.07 2.06 0.00 2.99 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 1.68 1.85 0.00 93 V 7.14 2.80 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 0.88 0.00 0.00 0.68 0.00 0.00 94 E 7.96 3.89 0.00 1.88 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 2.27 2.34 0.00 95 K 7.75 4.09 0.00 1.79 1.94 0.00 1.60 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.44 7.81 96 L 7.65 3.91 0.00 1.00 1.42 -0.20 0.70 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 97 V 7.47 3.84 2.34 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 0.87 0.00 0.00 1.02 0.00 0.00 98 K 7.54 4.29 0.00 2.01 1.89 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.64 7.81 99 G 8.10 3.92 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 0.00 0.00 0.00 100 K 7.87 4.23 0.00 1.91 1.80 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.52 7.81 101 F 8.91 4.12 0.00 3.14 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 0.00 102 Q 8.29 3.99 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 103 D 8.05 4.38 0.00 2.71 2.66 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 0.00 104 N 8.11 4.53 0.00 2.93 2.95 0.00 0.00 6.66 7.42 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 0.00 105 F 8.45 4.30 0.00 2.03 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 0.00 106 E 8.38 3.89 0.00 2.11 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 2.35 2.58 0.00 107 F 8.38 4.28 0.00 3.23 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 0.00 108 I 8.15 4.10 2.24 0.00 0.00 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 1.80 1.56 1.17 0.00 0.00 109 Q 7.97 3.81 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 110 W 8.10 3.94 0.00 3.41 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 0.00 111 F 8.48 3.02 0.00 2.99 3.14 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 0.00 112 K 8.19 3.17 0.00 1.34 1.56 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 0.95 7.81 113 K 7.28 3.63 0.00 1.57 1.59 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.37 7.81 114 F 7.31 3.49 0.00 1.51 1.75 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 0.00 115 F 7.84 3.41 0.00 2.70 2.81 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 0.00 0.00 0.00 116 D 7.80 4.28 0.00 2.59 2.58 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 0.00 117 A 7.47 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 6.77 4.57 0.00 2.13 2.31 0.00 0.00 6.93 7.34 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 0.00 119 Y 7.47 3.95 0.00 1.49 2.48 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 0.00 120 D 8.03 4.30 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 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 0.00 122 K 7.34 4.17 0.00 1.95 1.91 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.61 7.81 123 D 8.54 4.61 0.00 2.75 2.70 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 0.00 124 Y 8.36 4.61 0.00 2.88 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 0.00 125 N 8.06 4.46 0.00 2.61 2.46 0.00 0.00 6.94 7.71 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 0.00 126 P 0.00 4.11 0.00 2.09 2.10 0.00 3.63 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 1.84 1.89 0.00 127 L 7.98 4.01 0.00 1.74 1.63 0.83 0.40 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 0.00 128 L 7.28 3.88 0.00 1.47 1.66 0.84 0.65 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 0.00 129 A 7.77 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.26 3.90 0.00 1.70 1.55 0.00 2.91 0.00 0.00 2.94 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00