NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0837 8.0549 120.3911 62.5208 32.6938 175.0260 2 L 4.0671 8.2991 127.0768 52.4357 42.4615 175.9103 3 S 4.5812 9.0001 118.3419 57.4045 66.4947 174.8712 4 E 4.2486 8.7670 121.9193 59.5112 29.3236 178.8040 5 G 3.6972 8.1184 105.2748 47.8382 0.0000 175.4106 6 E 3.9355 7.9382 120.4455 58.9722 29.4661 179.3474 7 W 4.3751 8.1906 119.0882 59.9473 29.1210 178.3894 8 Q 4.2116 8.6979 119.9571 58.9775 28.5510 178.0849 9 L 4.0666 8.1732 120.3126 57.7630 41.6612 179.6681 10 V 3.7238 7.9201 117.9969 66.2209 31.7319 178.0106 11 L 4.3480 8.6614 118.4667 57.1309 41.3192 178.9143 12 H 4.2375 8.2492 118.1746 59.3876 30.1759 177.1624 13 V 3.6612 7.8511 119.6096 65.6068 31.2953 177.6866 14 W 3.9422 8.5666 128.0764 60.2732 30.2162 177.7794 15 A 3.9996 7.7843 119.7069 54.8783 18.0148 179.4686 16 K 3.9463 7.7657 117.2968 59.4005 32.1039 179.6456 17 V 2.7218 7.0294 118.0054 65.7297 31.0607 177.6603 18 E 3.9096 7.5539 116.3761 58.4642 29.2989 178.5613 19 A 4.2542 7.5231 120.1053 53.5706 20.0172 177.6701 20 D 4.6376 7.6185 115.7380 52.4370 43.2766 175.6622 21 V 3.5198 7.9267 123.1793 65.4995 32.0043 176.8421 22 A 4.0541 7.9803 120.2393 55.0010 18.2038 179.7029 23 G 3.4681 8.4809 104.3348 48.2870 0.0000 175.7527 24 H 4.1606 8.3384 118.9350 58.3374 28.6773 178.2611 25 G 3.4885 8.3687 107.9534 47.6489 0.0000 175.4707 26 Q 3.8652 8.2916 122.6464 59.1530 29.0279 178.3042 27 D 4.3181 8.1844 119.8403 57.3247 40.6846 178.9803 28 I 3.6443 7.9196 120.5762 64.3513 37.0426 178.5294 29 L 3.4849 7.7510 119.8138 57.5439 41.3061 179.6724 30 I 3.6369 7.5657 119.8664 64.1952 36.9651 178.4566 31 R 3.7843 8.0493 119.7867 59.0452 29.8356 178.2171 32 L 3.8874 7.9410 120.4753 58.4336 42.1315 179.1835 33 F 4.5445 7.8670 117.7053 60.2673 38.5193 177.7589 34 K 3.9403 8.0737 118.9600 59.6067 32.1331 178.7550 35 S 4.2946 8.0005 114.0830 59.9804 64.4344 174.4274 36 H 4.6364 8.0749 118.1892 52.1309 29.2213 171.9813 37 P 5.0394 0.0000 0.0000 64.5900 31.4427 177.6337 38 E 4.1387 8.1978 116.2313 59.1997 29.4771 179.0541 39 T 3.8233 7.9914 111.2176 64.5042 68.7102 176.2531 40 L 3.6906 8.0495 123.3589 57.7739 41.7472 178.3888 41 E 4.0140 7.8021 118.0453 58.4833 29.6300 178.2409 42 K 4.4115 8.0398 117.0852 57.1961 33.2107 177.7099 43 F 4.6839 8.2007 119.7002 55.4019 38.4844 175.4185 44 D 4.4209 8.4688 123.4596 57.2315 40.8989 177.9563 45 R 3.8888 7.9080 117.9088 58.1280 30.2821 176.6541 46 F 4.9575 7.9096 115.0404 56.7346 40.1934 176.7327 47 K 4.0769 8.0833 120.0877 58.7998 32.5820 177.7014 48 H 4.3210 8.1328 114.7265 57.6533 28.6134 175.9785 49 L 4.3646 7.5409 121.5468 53.8877 39.7615 176.4125 50 K 4.2976 9.4021 121.1489 56.7611 33.0645 177.3411 51 T 4.7426 7.4341 109.1139 58.8101 73.1973 174.1120 52 E 3.9034 8.6555 121.3747 59.4658 29.7302 178.7146 53 A 3.9688 7.9773 120.2702 55.2432 18.2266 179.2973 54 E 3.9353 8.1741 116.2636 59.7208 29.9081 179.1691 55 M 4.1686 8.1338 118.6845 58.4610 31.8498 178.9785 56 K 3.9447 8.1042 117.2164 59.0889 32.2984 178.4347 57 A 4.4858 7.5920 118.2917 51.8482 19.1078 177.6737 58 S 4.3604 7.5928 113.1646 57.3632 62.9203 174.3518 59 E 4.0385 8.7503 130.2707 59.2519 29.2859 178.7774 60 D 4.3992 8.1228 117.9913 57.2272 41.3448 177.7973 61 L 3.3371 8.2263 121.1330 57.8367 41.9992 178.8169 62 K 3.8277 7.9670 119.5415 59.3148 32.1152 178.5602 63 K 3.9301 8.3881 120.2370 59.9214 32.0237 178.2883 64 H 4.4488 8.4122 118.6630 59.0191 29.7415 177.3434 65 G 3.5997 8.2643 108.0549 47.7767 0.0000 175.8445 66 V 3.6004 7.8046 120.5113 66.0422 31.5918 178.1346 67 T 3.8916 7.9844 115.5042 66.6473 68.2353 176.6482 68 V 3.5694 8.0057 120.1784 66.2361 31.6716 178.2160 69 L 4.2113 8.1631 118.6708 57.8999 41.3989 179.6622 70 T 3.9581 8.4124 116.1237 66.5636 68.4115 176.4415 71 A 3.9677 7.9943 122.5823 55.1305 18.4623 179.4022 72 L 3.7289 8.1741 119.1444 58.1374 42.0139 179.3739 73 G 2.8572 8.5066 105.7300 47.4350 0.0000 175.5014 74 A 3.9146 7.6653 122.1830 54.7830 18.6685 179.5817 75 I 3.7427 7.5478 118.2535 64.6235 37.1613 178.6826 76 L 3.9653 7.9440 120.1024 57.6951 41.1436 179.7523 77 K 3.8036 7.8533 117.6523 58.6955 32.2193 178.4574 78 K 4.0158 7.6898 117.2045 55.2360 33.0442 176.3884 79 K 2.0000 8.1537 118.8814 56.3019 29.5925 175.7455 80 G 3.8301 7.4995 103.9849 45.9878 0.0000 172.9511 81 H 4.7162 7.8432 118.6434 55.0993 27.7463 174.3932 82 H 5.1168 7.6482 111.4713 54.3775 29.6251 176.6495 83 E 3.9594 8.4269 120.7945 60.3107 28.9132 178.8134 84 A 4.0025 7.9290 120.1110 54.6352 18.3452 179.0102 85 E 4.0691 8.0737 116.7788 59.4828 29.6545 179.1072 86 L 4.0976 8.2570 120.5264 57.5093 41.9833 178.6917 87 K 3.8721 7.7899 120.3409 59.1457 32.0864 176.9865 88 P 4.2503 0.0000 0.0000 65.5864 31.0758 178.1208 89 L 3.9931 7.9055 119.5137 58.1101 42.1280 178.6503 90 A 4.0970 8.4658 121.2287 54.9686 18.1944 179.2486 91 Q 3.9295 8.4221 118.6752 59.5988 29.1332 178.9870 92 S 4.0348 8.4426 115.4730 61.7198 63.0646 176.0080 93 H 4.1401 8.8138 119.6997 57.8714 28.1947 177.6933 94 A 2.6935 7.9746 122.6366 54.7410 18.6068 179.2018 95 T 3.9187 7.6441 106.2827 62.8734 69.3731 175.6464 96 K 4.2186 7.4786 118.6116 58.1751 33.5910 177.1596 97 H 4.3306 7.8610 113.8715 55.9942 29.4319 175.5188 98 K 2.9748 7.4042 117.1118 56.8847 28.6139 174.1590 99 I 4.3465 8.0062 118.5664 58.5838 38.5020 174.8106 100 P 4.5278 0.0000 0.0000 62.1878 32.0962 177.4344 101 I 3.7050 8.7474 121.1573 64.5144 36.8327 178.5851 102 K 3.9305 7.8353 121.2599 59.1720 31.8486 178.2290 103 Y 4.1050 7.8949 116.6987 60.7922 37.8196 178.0679 104 L 4.1939 7.9682 119.6476 57.5559 41.4137 179.2060 105 E 4.0267 8.3895 119.1479 59.4583 29.4497 179.2050 106 F 4.6669 8.0147 117.8833 60.9238 38.9231 177.6773 107 I 3.8896 8.3181 118.1739 63.9667 37.7488 178.1080 108 S 4.2039 8.3675 116.3923 61.6260 62.5763 176.4218 109 E 4.0752 8.6632 121.2445 59.3583 29.1109 179.2739 110 A 4.0015 8.2222 120.8656 55.0738 18.3319 179.7128 111 I 3.6490 8.0723 118.4974 64.6494 37.2602 178.7243 112 I 3.8131 7.8552 120.5318 64.6460 36.9247 177.8697 113 H 4.1194 8.5209 119.2817 59.4960 29.6016 177.4977 114 V 3.5876 8.1874 120.2229 65.8692 31.1245 177.9797 115 L 3.8021 8.1286 119.1905 57.7859 41.0056 179.0406 116 H 4.4196 8.0331 117.5765 59.3880 29.9407 177.2391 117 S 4.2312 8.0232 116.0542 61.5985 62.7819 176.4722 118 R 4.0345 8.0253 119.0227 57.4888 31.3813 176.3428 119 H 4.9594 7.7112 115.6450 53.4815 29.3482 172.5959 120 P 4.1590 0.0000 0.0000 65.2277 31.5931 178.0457 121 G 4.1235 8.0138 104.7502 45.2625 0.0000 173.0712 122 D 4.9255 8.1671 117.6743 53.4838 42.5982 176.6139 123 F 4.9990 8.0960 121.4758 56.3792 40.5077 174.1476 124 G 4.0377 7.7008 112.1654 42.8303 0.0000 170.1062 125 A 3.9387 8.2631 120.4677 55.1902 18.3951 179.7949 126 D 4.2115 7.9419 116.7366 57.4184 40.9460 178.7064 127 A 3.9765 7.7256 120.7753 55.1425 18.3962 179.3515 128 Q 3.6405 8.0560 118.6023 58.9338 29.0461 178.3753 129 G 3.6218 8.3511 107.0475 47.9206 0.0000 175.5089 130 A 3.8921 8.0553 123.2804 54.8959 18.3244 179.3825 131 M 4.0272 8.5117 117.2135 58.9410 32.2625 178.1997 132 N 4.3756 8.6148 117.0386 56.2059 38.6874 177.6001 133 K 3.8954 8.1420 119.7379 59.4165 32.1678 179.3061 134 A 3.9019 8.1602 121.3689 55.0516 18.1428 179.6388 135 L 4.1359 8.3049 117.7407 57.5683 41.7659 179.1247 136 E 3.9537 8.5340 119.8605 59.0576 29.4621 178.6717 137 L 3.9499 8.1333 120.4221 58.0239 42.1948 178.2737 138 F 4.1495 8.3935 120.6866 61.8851 39.1382 177.4908 139 R 3.5564 8.4195 117.5167 58.8016 29.8276 178.9775 140 K 3.8253 8.5389 119.8079 59.7474 32.2316 178.6756 141 D 4.3395 8.3732 119.4428 57.2081 40.6512 178.7996 142 I 3.3466 7.5215 120.2092 64.1813 37.0225 178.3188 143 A 3.7422 7.9192 121.5355 54.9340 18.1340 179.5168 144 A 3.9543 7.9448 119.3329 55.2471 18.4135 180.0667 145 K 3.9718 8.0748 117.0214 59.7160 32.0363 178.9801 146 Y 4.4763 8.4317 117.5547 61.3071 37.8242 178.9422 147 K 3.9898 8.3001 120.2746 59.6080 32.1189 178.7505 148 E 4.0500 8.0706 117.8261 58.9941 29.4570 178.4314 149 L 4.4241 7.9517 116.5289 54.6047 42.0775 177.6758 150 G 3.8874 7.9548 107.5830 45.4101 0.0000 172.4316 151 Y 4.6269 8.1382 121.9936 55.4670 39.8261 176.1666 152 Q 3.6673 8.5752 128.6802 57.2481 29.6746 176.2677 153 G 3.7804 5.3800 107.8304 45.7211 0.0000 172.9160 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 V 8.05 4.08 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 1.04 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.07 0.00 0.93 0.63 0.56 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.00 4.58 0.00 4.05 3.99 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 4 E 8.77 4.25 0.00 2.19 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 0.00 2.43 2.52 0.00 5 G 8.12 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 0.00 0.00 0.00 6 E 7.94 3.94 0.00 2.01 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 0.00 2.22 2.27 0.00 7 W 8.19 4.38 0.00 3.52 3.17 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 0.00 0.00 0.00 8 Q 8.70 4.21 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 9 L 8.17 4.07 0.00 1.91 1.75 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.92 3.72 2.46 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 1.24 0.00 0.00 0.92 0.00 0.00 11 L 8.66 4.35 0.00 1.81 1.81 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.25 4.24 0.00 3.29 3.43 0.00 5.78 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 13 V 7.85 3.66 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 0.84 0.00 0.00 1.15 0.00 0.00 14 W 8.57 3.94 0.00 3.55 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 15 A 7.78 4.00 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 16 K 7.77 3.95 0.00 1.76 1.60 0.00 1.55 0.00 0.00 1.35 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.46 7.81 17 V 7.03 2.72 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 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 18 E 7.55 3.91 0.00 2.02 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 2.32 2.21 0.00 19 A 7.52 4.25 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 20 D 7.62 4.64 0.00 2.71 2.50 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 0.00 0.00 0.00 0.00 21 V 7.93 3.52 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 1.07 0.00 0.00 0.88 0.00 0.00 22 A 7.98 4.05 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 23 G 8.48 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.34 4.16 0.00 3.23 3.22 0.00 5.82 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 25 G 8.37 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.29 3.87 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 8.18 4.32 0.00 2.77 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 28 I 7.92 3.64 1.97 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 1.50 0.74 0.87 0.00 0.00 29 L 7.75 3.48 0.00 1.37 1.03 0.73 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.57 3.64 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 0.88 0.00 0.00 31 R 8.05 3.78 0.00 1.89 2.06 0.00 3.00 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 32 L 7.94 3.89 0.00 1.71 1.39 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.87 4.54 0.00 3.03 2.90 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 34 K 8.07 3.94 0.00 1.73 2.05 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 35 S 8.00 4.29 0.00 3.76 3.55 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 36 H 8.07 4.64 0.00 3.01 2.67 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 5.04 0.00 2.15 2.10 0.00 3.82 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 2.08 1.98 0.00 38 E 8.20 4.14 0.00 2.28 2.28 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 2.22 2.51 0.00 39 T 7.99 3.82 4.48 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 0.95 0.00 0.00 40 L 8.05 3.69 0.00 1.06 1.65 0.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.80 4.01 0.00 2.03 2.20 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 2.38 2.45 0.00 42 K 8.04 4.41 0.00 1.98 1.73 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.98 7.81 43 F 8.20 4.68 0.00 3.22 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 44 D 8.47 4.42 0.00 2.62 2.73 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 0.00 45 R 7.91 3.89 0.00 1.50 1.33 0.00 2.92 0.00 0.00 2.63 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 46 F 7.91 4.96 0.00 2.97 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 47 K 8.08 4.08 0.00 1.85 1.94 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.45 7.81 48 H 8.13 4.32 0.00 3.27 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.54 4.36 0.00 1.59 1.61 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.40 4.30 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.53 7.81 51 T 7.43 4.74 4.23 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 0.00 0.00 1.21 0.00 0.00 52 E 8.66 3.90 0.00 2.05 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 2.36 2.37 0.00 53 A 7.98 3.97 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 54 E 8.17 3.94 0.00 2.10 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 2.36 2.35 0.00 55 M 8.13 4.17 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 56 K 8.10 3.94 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 57 A 7.59 4.49 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 58 S 7.59 4.36 0.00 3.96 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 59 E 8.75 4.04 0.00 2.05 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 2.32 0.00 60 D 8.12 4.40 0.00 2.91 2.92 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 61 L 8.23 3.34 0.00 1.36 1.59 -0.15 0.91 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 62 K 7.97 3.83 0.00 1.97 1.97 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 63 K 8.39 3.93 0.00 1.90 2.09 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.41 4.45 0.00 3.64 3.42 0.00 5.85 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 65 G 8.26 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 66 V 7.80 3.60 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 1.13 0.00 0.00 1.00 0.00 0.00 67 T 7.98 3.89 4.43 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 1.29 0.00 0.00 68 V 8.01 3.57 2.20 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 1.16 0.00 0.00 0.96 0.00 0.00 69 L 8.16 4.21 0.00 1.80 1.90 0.87 0.73 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 70 T 8.41 3.96 4.42 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 1.26 0.00 0.00 71 A 7.99 3.97 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 72 L 8.17 3.73 0.00 1.60 1.63 0.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 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 0.00 0.00 0.00 74 A 7.67 3.91 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 75 I 7.55 3.74 1.88 0.00 0.00 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 1.52 0.85 0.91 0.00 0.00 76 L 7.94 3.97 0.00 1.21 1.55 0.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.85 3.80 0.00 1.78 1.77 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.39 7.81 78 K 7.69 4.02 0.00 1.84 1.78 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.55 1.74 7.81 79 K 8.15 2.00 0.00 1.00 0.74 0.00 1.45 0.00 0.00 1.29 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.63 0.98 7.81 80 G 7.50 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 0.00 0.00 0.00 81 H 7.84 4.72 0.00 3.08 3.33 0.00 5.62 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 82 H 7.65 5.12 0.00 3.25 3.52 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.43 3.96 0.00 2.20 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 2.38 2.35 0.00 84 A 7.93 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.07 4.07 0.00 2.22 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 2.37 2.41 0.00 86 L 8.26 4.10 0.00 1.88 1.65 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.79 3.87 0.00 1.94 1.81 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 88 P 0.00 4.25 0.00 2.34 2.32 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.91 3.99 0.00 1.84 1.91 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.47 4.10 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 91 Q 8.42 3.93 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 92 S 8.44 4.03 0.00 3.97 4.12 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 0.00 0.00 0.00 93 H 8.81 4.14 0.00 3.58 3.64 0.00 5.80 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 94 A 7.97 2.69 1.12 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 0.00 0.00 0.00 0.00 0.00 95 T 7.64 3.92 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 1.17 0.00 0.00 96 K 7.48 4.22 0.00 1.83 1.69 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.00 7.81 97 H 7.86 4.33 0.00 2.96 3.12 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.40 2.97 0.00 1.76 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.24 7.81 99 I 8.01 4.35 2.12 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 1.41 0.98 1.16 0.00 0.00 100 P 0.00 4.53 0.00 1.92 1.94 0.00 3.26 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.38 0.00 101 I 8.75 3.71 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 0.89 0.00 0.00 102 K 7.84 3.93 0.00 1.66 1.62 0.00 1.77 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.62 1.17 7.81 103 Y 7.89 4.11 0.00 3.24 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 0.00 104 L 7.97 4.19 0.00 1.87 1.84 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.39 4.03 0.00 2.04 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 2.34 2.47 0.00 106 F 8.01 4.67 0.00 3.20 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 0.00 107 I 8.32 3.89 2.03 0.00 0.00 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 1.58 1.62 1.13 0.00 0.00 108 S 8.37 4.20 0.00 4.18 3.99 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 0.00 109 E 8.66 4.08 0.00 2.32 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 0.00 2.43 2.49 0.00 110 A 8.22 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 0.00 111 I 8.07 3.65 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.88 0.98 0.00 0.00 112 I 7.86 3.81 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.32 1.12 0.00 0.00 113 H 8.52 4.12 0.00 3.30 3.47 0.00 5.58 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.19 3.59 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 0.98 0.00 0.00 0.94 0.00 0.00 115 L 8.13 3.80 0.00 1.00 0.35 0.61 0.82 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 0.00 116 H 8.03 4.42 0.00 3.38 3.54 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.02 4.23 0.00 3.94 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 0.00 118 R 8.03 4.03 0.00 1.55 1.55 0.00 3.02 0.00 0.00 2.80 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 119 H 7.71 4.96 0.00 3.26 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.16 0.00 2.15 2.15 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 121 G 8.01 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.17 4.93 0.00 2.69 2.67 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 0.00 0.00 0.00 123 F 8.10 5.00 0.00 2.86 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 0.00 124 G 7.70 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.26 3.94 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 0.00 126 D 7.94 4.21 0.00 2.69 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 0.00 127 A 7.73 3.98 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 0.00 128 Q 8.06 3.64 0.00 1.18 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 129 G 8.35 3.62 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 0.00 130 A 8.06 3.89 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 0.00 131 M 8.51 4.03 0.00 2.47 2.41 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.83 0.00 132 N 8.61 4.38 0.00 3.01 2.87 0.00 0.00 7.05 7.82 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 0.00 133 K 8.14 3.90 0.00 1.91 1.64 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 134 A 8.16 3.90 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 0.00 135 L 8.30 4.14 0.00 1.77 1.83 1.00 0.83 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 0.00 136 E 8.53 3.95 0.00 2.09 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 0.00 2.31 2.32 0.00 137 L 8.13 3.95 0.00 1.86 1.96 0.98 0.94 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 0.00 138 F 8.39 4.15 0.00 3.11 3.17 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 0.00 0.00 0.00 139 R 8.42 3.56 0.00 1.99 1.88 0.00 3.21 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 140 K 8.54 3.83 0.00 1.81 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 8.37 4.34 0.00 2.76 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 0.00 142 I 7.52 3.35 1.35 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 0.84 -0.31 -0.10 0.00 0.00 143 A 7.92 3.74 1.25 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 0.00 144 A 7.94 3.95 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 0.00 145 K 8.07 3.97 0.00 2.03 1.92 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.35 7.81 146 Y 8.43 4.48 0.00 3.15 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 0.00 147 K 8.30 3.99 0.00 1.86 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 8.07 4.05 0.00 2.17 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 2.36 2.58 0.00 149 L 7.95 4.42 0.00 1.83 1.73 1.00 0.86 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 0.00 150 G 7.95 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 0.00 151 Y 8.14 4.63 0.00 2.71 2.60 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 0.00 152 Q 8.58 3.67 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 153 G 5.38 3.78 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 0.00 0.00 0.00