NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3840 8.3344 115.4124 58.4184 63.9076 171.7439 2 Q 4.6750 7.5780 122.5739 53.3176 33.2477 172.4739 3 E 4.3956 8.8245 123.5805 54.9840 32.3115 178.1487 4 V 3.2514 8.0171 104.5301 63.0418 28.1364 172.9641 5 M 4.5265 7.4778 119.3896 54.6709 34.4798 174.9926 6 K 3.7885 8.0410 116.8006 56.4643 32.7805 175.5240 7 N 4.2573 8.3350 116.8972 56.7045 37.2165 174.3042 8 L 4.7162 8.5298 131.3536 56.2855 39.8826 175.2845 9 S 4.2269 8.3797 113.4691 60.6776 63.0117 173.8432 10 L 4.2969 7.4262 121.1296 54.0372 42.2564 175.8857 11 N 4.7125 8.6578 121.7132 52.6471 39.0364 175.6711 12 F 4.7790 8.8701 121.5964 57.8145 40.4234 177.4252 13 G 3.9918 8.4551 105.1443 48.5661 0.0000 175.1227 14 K 3.8530 8.1445 119.6555 58.9932 32.2550 178.8428 15 A 3.9804 8.0628 119.8999 55.4567 18.2245 179.5997 16 L 3.8389 8.2108 117.3567 58.0665 41.2905 179.2904 17 D 4.4221 8.0033 117.5194 57.1659 41.1977 177.8556 18 E 3.9524 8.3882 120.0727 59.4481 29.5756 178.2247 19 C 4.2992 8.5553 117.0366 59.7108 41.1711 175.8282 20 K 3.8229 8.4165 120.6579 59.6753 31.5802 179.0363 21 K 3.9011 7.6601 117.4115 59.7124 31.8308 179.2114 22 E 4.0057 7.8823 116.8927 59.3553 29.4689 178.6635 23 M 4.3887 7.9086 115.9223 53.9471 33.7038 176.9319 24 T 3.5084 7.1247 107.5792 62.6937 68.1040 171.7734 25 L 4.6644 7.9195 121.6167 53.4839 44.5262 177.5022 26 T 4.2478 8.7314 113.1241 61.1239 69.8005 175.0297 27 D 4.5783 8.5726 120.0163 56.4373 40.6288 178.4571 28 A 4.1295 7.6994 120.9807 54.8997 17.8377 178.9738 29 I 3.9913 7.4684 109.0526 62.8641 37.4725 177.5186 30 N 4.6958 8.2236 118.0830 55.2255 38.8296 175.9095 31 E 4.7348 8.1062 119.0023 57.8564 31.2115 177.7053 32 D 4.5815 8.2787 118.9904 57.2752 40.5976 178.6265 33 F 4.1098 7.7908 119.8086 61.3140 39.6257 176.6776 34 Y 3.8831 7.9271 115.8240 61.1105 37.9841 177.6438 35 N 4.3262 8.7846 117.0562 55.4030 38.3414 177.0582 36 F 4.0024 7.8642 121.8072 60.1124 39.4618 175.9688 37 W 4.5053 7.3984 115.7103 55.5811 29.6829 176.4113 38 K 4.0570 7.0177 121.4732 55.3768 32.3073 175.9153 39 E 3.9505 8.4891 124.0812 57.7406 29.7798 177.3022 40 G 3.8859 8.8584 110.7700 46.3320 0.0000 172.1966 41 Y 4.4829 7.6670 117.2340 55.7471 39.4049 175.2474 42 E 4.3440 8.6382 124.1379 54.6442 31.0988 175.1656 43 I 4.4212 8.1112 125.0132 59.7131 38.7196 176.0677 44 K 4.4806 8.5136 123.0036 56.0088 33.1684 175.9006 45 N 4.5355 8.0262 118.6847 52.9165 39.2118 175.5953 46 R 3.8914 8.9964 123.2840 59.6972 30.1370 178.0366 47 E 3.8821 8.3475 118.0929 60.1012 29.3973 179.0660 48 T 3.9516 7.9501 115.1446 66.2151 68.4239 176.8654 49 G 3.5742 7.8917 107.3468 48.0910 0.0000 176.2149 50 C 4.3035 8.3436 119.2378 59.4525 38.2878 175.8476 51 A 3.8834 8.0893 122.4428 55.3256 17.9431 179.7399 52 I 3.6486 7.6317 117.9561 64.8388 37.0258 178.2505 53 M 4.0445 7.8247 117.4726 58.8214 32.3017 177.2290 54 C 4.3749 8.6086 118.8394 59.7607 42.5620 175.2636 55 L 3.9175 8.1881 121.2572 58.0224 40.9380 179.6189 56 S 4.3427 8.0530 113.4268 61.2013 62.6360 175.6849 57 T 4.4971 7.8595 111.8642 61.0805 69.7245 175.0234 58 K 4.7026 8.3245 120.8424 55.3700 33.2815 178.4272 59 L 3.9963 7.9640 120.9696 57.5506 41.7091 178.2845 60 N 4.6078 7.9731 116.4657 54.6001 37.3908 175.9869 61 M 4.2615 7.5539 120.0625 56.8930 32.9879 177.7601 62 L 4.8558 7.8015 121.0482 55.3047 41.7498 175.8398 63 D 4.9667 7.6456 119.8737 51.1995 39.4297 175.0879 64 P 4.3394 0.0000 0.0000 64.9169 31.5111 176.9123 65 E 4.3261 8.2014 117.8854 55.3246 30.2239 175.2542 66 G 3.8301 7.8670 105.6649 47.8264 0.0000 174.1521 67 N 4.5757 8.2259 115.9436 52.5757 39.9290 175.1988 68 L 3.9898 7.2775 119.9244 53.9864 41.0923 175.0402 69 H 4.9865 7.7620 121.1390 53.4463 30.6463 173.6272 70 H 4.2476 8.6369 121.2000 57.3010 29.9185 176.0000 71 G 3.7444 9.5250 114.7589 45.9727 0.0000 174.1414 72 N 4.9950 7.3893 116.5596 52.6616 40.4704 174.1918 73 A 4.8733 7.7557 123.4508 51.0413 20.7705 178.6156 74 M 4.1632 8.3427 122.0871 59.9536 31.9429 178.1044 75 E 4.1154 8.1474 118.4094 58.9748 29.7014 178.6257 76 F 4.2418 8.2425 119.3949 60.9109 39.7198 176.7119 77 A 3.9608 8.3321 120.6293 55.0164 18.0388 179.5038 78 K 4.4319 7.7176 118.0283 59.0999 32.4215 178.6514 79 K 4.2036 7.9531 115.9940 57.7886 32.0106 177.0965 80 H 4.5273 7.8912 117.1252 55.4294 29.1931 175.1184 81 G 3.8161 8.4713 105.1191 45.5893 0.0000 173.7021 82 A 4.3259 7.4827 122.3836 49.3412 21.5872 176.9864 83 D 4.9460 7.9990 123.6273 53.0018 42.9136 176.4434 84 E 4.0044 8.5548 117.0948 59.8616 29.3240 179.2239 85 T 3.8896 7.7626 114.8483 66.6739 68.9207 176.1872 86 M 4.0267 9.3464 121.5037 58.3350 31.8160 178.4104 87 A 4.1251 8.1440 121.0453 55.6385 18.4718 179.5686 88 Q 3.9770 8.1249 117.4887 59.2527 29.1614 178.4841 89 Q 4.0976 8.1960 119.5252 58.8086 28.7621 178.4684 90 L 4.2250 8.0532 119.6896 57.8201 41.7714 179.3297 91 I 3.6938 8.2464 120.1768 64.6432 37.0737 178.3043 92 D 4.4455 8.5260 119.7014 57.0720 40.5522 178.9875 93 I 3.8023 7.7061 120.4113 64.2449 37.0732 178.4745 94 V 3.6661 7.9695 119.1346 66.5104 30.8484 177.8391 95 H 4.6084 8.4329 116.0989 58.8843 28.4700 177.9690 96 G 3.7750 8.2433 107.3952 47.4644 0.0000 175.1654 97 C 4.7478 8.2544 120.1454 59.0571 38.8795 175.7897 98 E 3.7114 8.5012 120.3300 58.9555 28.7280 179.4866 99 K 4.1986 7.5524 117.2802 59.2202 32.8617 179.1561 100 S 4.3380 8.3747 114.5323 60.3013 63.1187 174.7378 101 T 4.2267 7.3764 119.8018 62.2795 68.6748 172.4763 102 P 4.3735 0.0000 0.0000 62.6488 31.8269 176.1262 103 A 4.3181 8.4993 123.2707 52.4888 19.0565 176.5768 104 N 4.3010 8.0201 112.5942 53.0196 41.7429 174.3608 105 D 4.3373 9.0952 126.4632 57.2318 41.4359 176.9133 106 D 4.4956 8.8291 120.1286 53.7441 41.9330 176.7557 107 K 4.2039 8.6610 128.2199 59.1111 32.4042 179.3919 108 C 4.3715 8.4531 117.3554 59.9931 35.6667 175.9152 109 I 3.6875 7.9500 120.9056 64.1340 36.8233 178.0939 110 W 4.1300 8.1454 128.6711 60.8525 30.5788 178.0667 111 T 3.6907 8.7038 116.1201 66.4230 67.8984 176.2493 112 L 3.8359 7.9907 122.3420 58.1905 42.0286 179.3497 113 G 3.6613 7.9323 105.4636 47.6193 0.0000 175.8553 114 V 3.3385 7.4564 120.2448 65.6418 31.3843 178.1127 115 A 4.1373 8.0054 120.4953 55.4260 18.3860 179.4038 116 T 3.8428 8.4907 114.8159 67.2420 68.6018 175.8397 117 C 4.2764 8.4777 120.2459 59.5706 43.8003 175.1587 118 F 4.1837 8.9039 122.6472 61.2195 38.8196 177.0146 119 K 3.8787 8.6076 119.1268 59.6534 31.8737 178.7744 120 A 4.0215 7.5655 119.0555 54.8539 18.5217 178.9008 121 E 3.9955 8.1691 118.4125 59.1703 29.8755 178.9318 122 I 3.4633 7.4312 112.9619 63.7532 37.2488 177.5982 123 H 4.0008 7.4311 117.8700 58.3935 29.7286 176.4268 124 K 4.1444 7.6624 118.1885 56.3072 32.5058 176.7836 125 L 4.3118 6.7594 119.6969 53.5241 42.6357 176.6217 126 N 4.4396 8.7391 121.5537 56.0880 39.3010 175.7329 127 W 4.3387 8.2678 113.4082 56.0592 29.0582 175.5427 128 A 4.2744 8.3828 123.3921 49.5842 18.8500 174.8079 129 P 4.5819 0.0000 0.0000 62.8293 32.1674 177.9485 130 S 4.3248 8.6773 117.8213 58.6187 64.8826 175.2793 131 M 3.9134 8.5948 122.9339 58.7220 31.1983 178.5453 132 D 4.4910 8.2017 118.4120 57.6095 41.0868 179.0942 133 V 3.6865 7.7770 117.9208 66.0265 31.5984 177.8786 134 A 4.2683 8.2356 120.6228 55.2205 18.1488 179.8764 135 V 3.2028 8.2058 117.2891 65.9719 31.6367 178.4608 136 G 3.5715 8.2713 105.4909 47.9135 0.0000 175.5147 137 E 4.0227 8.4540 120.8318 59.0640 29.5070 179.1913 138 I 3.2331 7.5418 118.6833 63.9755 37.7375 177.9655 139 L 3.9973 7.8574 118.6082 57.6489 41.7440 178.9544 140 A 4.1516 8.0810 119.9634 53.6338 18.2898 178.2735 141 E 4.4386 7.5664 114.5743 56.1164 30.8137 176.1970 142 V 4.4454 7.5816 123.2233 62.2417 31.5984 175.2588 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 4.38 0.00 3.99 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 2 Q 7.58 4.67 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 3 E 8.82 4.40 0.00 2.05 1.14 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 2.18 2.27 0.00 4 V 8.02 3.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.94 0.00 0.00 5 M 7.48 4.53 0.00 1.93 2.02 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 2.43 2.46 0.00 6 K 8.04 3.79 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.44 7.81 7 N 8.33 4.26 0.00 2.70 2.85 0.00 0.00 7.18 7.78 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 8 L 8.53 4.72 0.00 1.88 2.15 1.54 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.38 4.23 0.00 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.43 4.30 0.00 1.83 0.85 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.66 4.71 0.00 2.68 2.75 0.00 0.00 6.52 7.69 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 12 F 8.87 4.78 0.00 3.23 2.88 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 13 G 8.46 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 0.00 0.00 0.00 14 K 8.14 3.85 0.00 1.78 1.88 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.48 7.81 15 A 8.06 3.98 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 16 L 8.21 3.84 0.00 1.98 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.00 4.42 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 18 E 8.39 3.95 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 19 C 8.56 4.30 0.00 3.15 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.42 3.82 0.00 1.93 1.89 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.67 7.81 21 K 7.66 3.90 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.62 7.81 22 E 7.88 4.01 0.00 2.09 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 2.34 2.53 0.00 23 M 7.91 4.39 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 24 T 7.12 3.51 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 1.25 0.00 0.00 25 L 7.92 4.66 0.00 1.64 1.61 0.91 0.79 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 26 T 8.73 4.25 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 27 D 8.57 4.58 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.70 4.13 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 29 I 7.47 3.99 1.90 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 1.67 0.84 0.96 0.00 0.00 30 N 8.22 4.70 0.00 2.92 3.04 0.00 0.00 6.81 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.11 4.73 0.00 2.08 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 2.36 2.43 0.00 32 D 8.28 4.58 0.00 2.87 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.79 4.11 0.00 2.88 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 34 Y 7.93 3.88 0.00 3.26 2.94 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 35 N 8.78 4.33 0.00 2.80 2.90 0.00 0.00 6.73 8.02 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 36 F 7.86 4.00 0.00 2.89 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.40 4.51 0.00 3.18 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 38 K 7.02 4.06 0.00 1.30 0.74 0.00 1.08 0.00 0.00 1.53 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.02 1.19 7.81 39 E 8.49 3.95 0.00 1.99 1.89 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 2.33 2.39 0.00 40 G 8.86 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 41 Y 7.67 4.48 0.00 2.73 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 42 E 8.64 4.34 0.00 1.83 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 2.07 2.15 0.00 43 I 8.11 4.42 2.16 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 1.00 0.00 0.00 44 K 8.51 4.48 0.00 1.70 1.82 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.49 7.81 45 N 8.03 4.54 0.00 2.77 2.76 0.00 0.00 7.04 7.66 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 46 R 9.00 3.89 0.00 1.85 2.03 0.00 3.16 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 1.74 1.74 0.00 47 E 8.35 3.88 0.00 2.07 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 2.40 2.50 0.00 48 T 7.95 3.95 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 49 G 7.89 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 0.00 0.00 0.00 50 C 8.34 4.30 0.00 3.16 3.13 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 0.00 51 A 8.09 3.88 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 52 I 7.63 3.65 1.97 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.08 0.98 0.00 0.00 53 M 7.82 4.04 0.00 2.22 2.16 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 2.67 2.58 0.00 54 C 8.61 4.37 0.00 3.01 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.19 3.92 0.00 1.63 1.71 -0.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.05 4.34 0.00 4.24 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 57 T 7.86 4.50 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 58 K 8.32 4.70 0.00 1.71 1.71 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.36 7.81 59 L 7.96 4.00 0.00 1.65 1.85 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.97 4.61 0.00 2.84 2.95 0.00 0.00 6.36 7.66 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 61 M 7.55 4.26 0.00 1.99 2.09 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 2.65 2.53 0.00 62 L 7.80 4.86 0.00 1.37 1.18 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.65 4.97 0.00 2.92 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 64 P 0.00 4.34 0.00 2.21 2.23 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 65 E 8.20 4.33 0.00 1.94 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 2.24 2.45 0.00 66 G 7.87 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 67 N 8.23 4.58 0.00 2.84 3.02 0.00 0.00 7.06 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 68 L 7.28 3.99 0.00 1.03 1.47 -0.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.76 4.99 0.00 3.31 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.64 4.25 0.00 3.23 3.21 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.53 3.74 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 0.00 0.00 0.00 72 N 7.39 4.99 0.00 2.84 2.71 0.00 0.00 6.83 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.76 4.87 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 74 M 8.34 4.16 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 75 E 8.15 4.12 0.00 2.03 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 2.41 2.33 0.00 76 F 8.24 4.24 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.33 3.96 1.53 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 0.00 0.00 78 K 7.72 4.43 0.00 1.92 1.99 0.00 1.49 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.35 7.81 79 K 7.95 4.20 0.00 1.74 1.75 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 80 H 7.89 4.53 0.00 2.80 3.08 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.47 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 82 A 7.48 4.33 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 83 D 8.00 4.95 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.55 4.00 0.00 2.02 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 2.39 2.38 0.00 85 T 7.76 3.89 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 1.20 0.00 0.00 86 M 9.35 4.03 0.00 0.51 1.78 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.30 0.00 87 A 8.14 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.12 3.98 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 89 Q 8.20 4.10 0.00 2.62 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 90 L 8.05 4.23 0.00 2.07 2.03 1.24 0.88 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 91 I 8.25 3.69 2.09 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 1.53 0.84 0.83 0.00 0.00 92 D 8.53 4.45 0.00 2.87 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 93 I 7.71 3.80 2.26 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.02 1.01 0.00 0.00 94 V 7.97 3.67 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 1.02 0.00 0.00 0.69 0.00 0.00 95 H 8.43 4.61 0.00 3.30 3.38 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 96 G 8.24 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 97 C 8.25 4.75 0.00 3.29 3.12 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 98 E 8.50 3.71 0.00 2.33 2.36 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 2.27 2.60 0.00 99 K 7.55 4.20 0.00 2.01 1.93 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.73 7.81 100 S 8.37 4.34 0.00 4.07 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 0.00 101 T 7.38 4.23 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 1.02 0.00 0.00 102 P 0.00 4.37 0.00 2.24 2.11 0.00 3.78 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 2.03 2.00 0.00 103 A 8.50 4.32 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 0.00 104 N 8.02 4.30 0.00 2.76 2.82 0.00 0.00 7.04 8.47 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 0.00 105 D 9.10 4.34 0.00 2.68 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 0.00 106 D 8.83 4.50 0.00 2.70 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 0.00 107 K 8.66 4.20 0.00 1.83 1.80 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.57 7.81 108 C 8.45 4.37 0.00 3.21 3.28 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 0.00 109 I 7.95 3.69 1.94 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 1.55 0.96 0.96 0.00 0.00 110 W 8.15 4.13 0.00 3.41 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 0.00 111 T 8.70 3.69 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 1.28 0.00 0.00 112 L 7.99 3.84 0.00 1.79 1.83 0.88 0.98 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 0.00 113 G 7.93 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 0.00 114 V 7.46 3.34 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.35 0.00 0.00 115 A 8.01 4.14 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 0.00 116 T 8.49 3.84 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 117 C 8.48 4.28 0.00 2.96 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.90 4.18 0.00 3.16 3.38 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 0.00 119 K 8.61 3.88 0.00 2.09 1.84 0.00 1.03 0.00 0.00 1.20 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.61 7.81 120 A 7.57 4.02 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 0.00 121 E 8.17 4.00 0.00 2.32 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 2.31 2.33 0.00 122 I 7.43 3.46 1.40 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 1.24 0.13 -0.10 0.00 0.00 123 H 7.43 4.00 0.00 3.28 3.42 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.66 4.14 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.43 7.81 125 L 6.76 4.31 0.00 1.25 1.03 0.43 0.92 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 0.00 126 N 8.74 4.44 0.00 2.71 2.96 0.00 0.00 7.09 7.95 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 0.00 127 W 8.27 4.34 0.00 3.63 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 0.00 128 A 8.38 4.27 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.58 0.00 1.86 1.88 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 0.00 130 S 8.68 4.32 0.00 4.07 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 0.00 131 M 8.59 3.91 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 132 D 8.20 4.49 0.00 2.81 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 0.00 133 V 7.78 3.69 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.10 0.00 0.00 134 A 8.24 4.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.21 3.20 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 0.98 0.00 0.00 -0.36 0.00 0.00 136 G 8.27 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 0.00 0.00 0.00 137 E 8.45 4.02 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.64 0.00 138 I 7.54 3.23 0.56 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 1.35 0.97 0.86 0.00 0.00 139 L 7.86 4.00 0.00 1.79 1.71 1.13 1.20 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 0.00 140 A 8.08 4.15 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 0.00 141 E 7.57 4.44 0.00 1.81 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 2.29 2.34 0.00 142 V 7.58 4.45 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 1.02 0.00 0.00 0.93 0.00 0.00