NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2692 8.3031 122.0223 56.2137 33.0068 175.2442 3 G 3.7303 8.6384 115.7710 44.3332 0.0000 170.7537 4 D 4.4462 8.6901 120.3509 54.0636 42.3333 175.5807 5 K 3.9287 8.9028 126.3868 59.6584 32.2693 179.0623 6 K 3.9749 8.0648 118.3243 58.9188 32.0159 179.3084 7 V 3.5536 8.3321 119.1041 66.1277 31.4497 178.1064 8 I 3.7022 7.5987 119.2258 64.4776 36.9457 178.1826 9 Q 3.9913 7.9969 120.1864 59.4018 28.7413 178.1808 10 H 4.1613 8.2259 117.2197 58.8196 28.7730 177.6641 11 L 3.9903 8.3306 121.1915 58.0751 41.3904 179.4363 12 N 4.4205 8.6380 116.7170 55.9572 38.5233 177.4555 13 K 3.9084 8.0518 121.1021 59.6321 32.3912 178.9371 14 I 3.7266 7.9683 120.2617 64.2522 36.9557 178.0973 15 L 4.0585 8.4721 121.7489 58.2012 41.7785 179.1948 16 G 3.7083 8.3793 105.8424 47.9879 0.0000 175.4126 17 N 4.3727 8.0257 118.2566 56.0360 38.4837 177.3185 18 E 3.9562 8.2544 119.9847 59.5101 29.2243 179.3392 19 L 3.9397 8.2689 119.2876 57.9310 41.6547 179.8002 20 I 3.6550 7.5638 119.3353 64.2296 36.9667 178.3904 21 A 3.3537 7.8779 121.6443 54.8494 18.1250 179.2790 22 I 3.5602 7.8310 118.6058 65.0112 37.2286 178.2183 23 N 4.3362 7.8127 116.2608 56.3461 38.4442 177.3813 24 Q 3.8438 7.9670 120.8013 59.5552 29.1426 178.0284 25 Y 4.8780 7.9543 119.4291 60.4348 37.8560 178.1221 26 F 3.9064 8.4816 121.9572 61.0701 39.4665 177.0458 27 L 4.0012 8.2468 120.1165 58.3792 41.8039 178.6641 28 H 3.8599 8.2519 116.2137 58.6702 28.5312 177.2712 29 S 4.3409 8.4427 115.4004 62.1033 62.0761 176.8369 30 R 3.8166 7.8165 120.0652 59.0211 29.6979 179.1766 31 M 3.4216 7.8665 118.8949 57.9019 31.8793 178.6475 32 W 4.4516 7.7901 119.1211 59.8573 29.1725 178.2421 33 N 4.3332 8.4420 116.5214 56.5798 37.8384 176.7452 34 D 4.3568 7.8753 117.8839 57.2760 41.2928 177.8294 35 W 4.8023 7.8747 116.7010 56.9866 29.5473 177.1913 36 G 3.9867 8.5282 108.3725 46.4858 0.0000 174.3074 37 L 4.7291 7.9051 122.2648 53.5824 38.3767 177.4402 38 K 4.1287 8.6356 121.7688 58.8038 32.5887 179.2066 39 R 3.8498 7.7691 119.4300 59.2758 30.0098 178.2796 40 L 3.7233 7.8382 118.4794 57.7737 41.4773 179.6927 41 G 3.7417 8.0944 105.2017 47.8486 0.0000 175.6719 42 A 4.0276 8.3424 123.6000 54.9599 18.4202 179.2961 43 H 4.0268 8.4242 116.9381 59.3376 29.8174 177.1075 44 E 3.9834 8.4514 121.2782 59.3867 29.4917 178.1074 45 Y 4.0160 8.1340 119.6210 61.1213 38.8279 177.9146 46 H 4.1630 8.2133 116.8183 58.8080 28.8521 177.6962 47 E 3.8462 8.2522 120.5091 59.3469 29.2472 179.2350 48 S 4.2955 8.1458 113.1972 61.5464 62.4497 176.3756 49 I 3.6130 7.6531 122.4476 64.3781 36.7290 178.0054 50 D 4.3376 8.0529 119.7743 57.5936 40.6296 178.8832 51 E 4.0162 8.1690 118.4383 59.3750 29.4250 179.2052 52 M 4.0385 7.9304 119.0322 58.4225 31.8737 178.9562 53 K 4.0540 8.0283 118.5740 59.5024 32.1934 179.1535 54 H 4.2546 8.4533 116.7017 58.8889 28.5650 177.6631 55 A 4.0079 8.2000 122.5485 55.0854 18.1935 179.0124 56 D 4.2694 8.2031 116.5603 57.6828 41.2437 178.8648 57 K 4.0536 7.9197 118.8578 59.1571 32.0166 179.3893 58 L 3.9901 7.9925 119.3865 57.9429 41.7200 179.4941 59 I 3.7237 7.9556 119.7887 64.5310 37.0532 178.4083 60 E 3.9972 8.2182 119.2965 59.3248 29.2209 179.3867 61 R 4.0155 8.2036 118.7810 59.5582 30.1288 178.4211 62 I 3.7052 8.3189 119.9130 64.6719 37.1435 178.4491 63 L 4.0561 7.9413 119.3253 57.5514 41.2405 179.2575 64 F 4.3063 8.2464 120.0526 61.0816 39.6041 176.4433 65 L 3.8782 8.2036 116.4151 54.0943 41.3333 176.7528 66 E 3.8575 7.8657 117.6322 57.4441 27.3329 174.4989 67 G 3.9138 8.1105 107.7889 44.1006 0.0000 173.5566 68 L 4.5450 7.9874 118.9599 51.9939 42.2916 175.1747 69 P 4.3770 0.0000 0.0000 62.4235 31.8166 176.0596 70 N 4.7347 9.1378 121.8963 52.3938 38.8682 173.8056 71 L 4.6343 8.3432 124.0649 54.5218 42.4035 177.3710 72 Q 4.1723 8.5307 122.1549 57.3410 29.5091 175.6299 73 D 4.8035 8.0159 117.1789 52.2519 42.3616 175.2207 74 L 4.6003 8.3427 125.3766 52.9978 44.2966 176.5227 75 G 3.8735 8.3901 116.7528 44.7426 0.0000 171.1863 76 K 4.2802 8.3552 120.8996 55.1297 32.9818 177.2826 77 L 4.1551 8.3636 126.4700 54.4392 42.3154 176.8848 78 L 4.4901 8.5454 123.5707 53.2634 41.3043 175.2767 79 I 4.3490 8.1097 124.1790 59.4239 38.4529 176.6535 80 G 4.0416 8.6584 114.9325 44.5530 0.0000 172.5011 81 E 4.6322 8.7719 115.7770 56.2708 31.1734 175.6568 82 N 5.0113 7.6361 116.3199 50.6588 41.8799 174.8136 83 T 4.3468 8.5129 113.5779 65.3817 67.4701 175.5662 84 Q 3.9825 8.2053 121.1389 59.4213 29.0950 178.2085 85 E 4.0318 8.6695 119.4801 59.6014 29.5039 179.2350 86 M 3.9937 8.3280 118.9001 58.3243 31.9519 178.8166 87 L 4.1639 8.3735 119.3135 57.8633 41.7353 179.3855 88 Q 4.0010 8.1968 119.5820 59.2948 29.0127 177.8997 89 C 4.1667 8.6493 118.2208 63.0360 28.1494 175.8137 90 D 4.6980 8.4034 120.3625 57.4564 40.3749 178.7038 91 L 4.0438 8.0756 120.7644 58.2884 42.2348 178.7625 92 N 4.3662 8.4823 116.6378 56.2187 38.4510 177.1982 93 L 4.0510 8.1729 121.8187 58.1904 42.1967 178.8857 94 E 4.1158 8.8037 119.0745 59.4678 29.2714 179.3550 95 L 4.0723 8.2749 119.2617 57.5314 41.7634 179.5058 96 K 3.9726 8.1062 119.1253 59.4242 32.2286 178.8269 97 A 4.2390 8.1686 121.1403 55.4757 18.2723 179.7729 98 T 3.9483 8.0310 114.4568 66.2371 68.6153 177.0894 99 K 3.9174 7.8537 121.7434 59.7958 32.2842 178.4954 100 D 4.4375 7.9836 118.6966 57.4234 40.6056 179.0713 101 L 3.9780 7.9107 119.2307 57.8443 41.6412 179.6140 102 R 3.9153 8.0133 117.9493 59.4740 30.0828 179.0119 103 E 3.9568 8.1816 117.8348 59.3743 29.4921 179.3363 104 A 3.5933 8.2096 120.8733 54.7893 18.3621 179.8504 105 I 3.6847 7.8920 118.8801 64.3736 37.1912 178.4202 106 V 3.5768 7.8918 119.2468 66.5729 31.2420 177.6396 107 H 4.0413 8.0642 117.2066 59.2118 29.5985 177.0311 108 C 4.0682 8.0062 118.5874 62.7051 27.9719 175.7151 109 E 3.8606 8.2410 120.8095 59.3473 29.0617 178.4129 110 Q 3.9300 7.9168 118.3376 58.8461 29.0285 177.9832 111 V 3.9830 7.3099 110.2583 60.3696 31.9487 175.4340 112 H 2.9857 7.2776 114.0594 56.8957 26.9808 176.2332 113 D 4.5159 7.5735 120.1309 53.4322 38.5834 175.1716 114 Y 4.3073 7.5049 121.5787 60.2683 38.5221 177.4734 115 V 3.7544 7.8170 119.1226 65.8606 31.7868 178.1373 116 S 4.1717 8.3618 115.0129 61.2912 62.6267 176.3437 117 R 3.8942 7.9181 121.3333 59.6321 29.8193 177.9492 118 D 4.3302 8.2208 117.5688 57.2777 41.1948 177.8163 119 L 3.9531 7.8308 120.4857 58.4240 42.0100 179.0827 120 L 4.0673 7.9923 118.6441 57.3052 41.5183 179.3522 121 K 3.9878 8.2529 119.9755 59.2906 32.2565 178.5148 122 D 4.3699 8.1903 119.2551 57.5598 40.6947 178.9538 123 I 3.4890 7.6855 120.1402 64.1125 37.0316 178.1726 124 L 3.9216 8.2310 121.6018 58.2249 41.9289 178.6960 125 E 3.9207 8.3168 119.2374 59.3105 29.5601 178.7698 126 S 4.1038 8.0315 113.0461 61.3358 62.4016 175.9725 127 E 3.9517 8.5365 121.7783 59.4041 29.1808 179.1909 128 E 4.0855 8.4621 118.7474 59.0889 29.4431 179.1138 129 E 4.0342 8.2731 118.9533 59.7477 29.4551 179.0097 130 H 4.3357 8.2072 116.1270 59.0524 28.7170 177.8721 131 I 3.7549 8.2532 121.9569 64.4330 36.8606 177.9821 132 D 4.3074 8.2449 118.8149 57.3868 41.0590 177.4184 133 Y 4.1048 8.2110 120.0350 60.8312 38.8069 178.3060 134 L 3.6171 8.2200 119.6905 57.8556 41.7252 179.2651 135 E 3.9183 8.3682 118.7458 59.8949 29.3439 179.7152 136 T 3.8019 8.0715 115.8012 66.5967 68.4179 176.8550 137 Q 3.6853 7.8286 120.0230 58.6217 28.4956 178.5829 138 L 3.8515 7.7512 120.1089 57.7750 41.7067 179.6890 139 G 3.6460 8.1841 105.8229 47.9944 0.0000 175.6598 140 L 4.0213 7.8607 121.1974 57.3732 41.7656 179.3094 141 I 3.5509 7.3993 119.8943 64.5688 36.7555 178.4799 142 Q 3.9506 7.4451 117.6051 59.0048 28.6825 178.5991 143 K 4.1613 7.8675 118.0770 58.3895 32.2691 178.8385 144 V 4.2300 8.3051 110.4698 59.8316 33.2065 176.8230 145 G 4.0242 7.6659 105.8522 45.7113 0.0000 174.2615 146 L 3.9704 8.6280 123.2658 58.1094 42.0102 179.4899 147 E 3.9453 8.0909 117.7213 59.6268 29.5912 178.6690 148 N 4.2690 8.2467 115.9789 56.6541 38.3669 176.5913 149 Y 4.0215 8.0899 119.8168 60.7863 39.2438 177.8924 150 L 4.0518 8.2406 119.9968 57.6804 41.4667 179.1736 151 Q 3.9230 8.1784 119.7466 59.3201 28.8019 178.3423 152 S 4.2088 7.8286 114.0415 60.1431 62.9371 174.5444 153 H 4.6968 7.5504 118.8234 55.7391 29.3589 176.3565 154 M 4.1562 7.6717 120.2914 57.7662 32.0347 176.0045 155 H 5.2105 7.5610 114.4472 54.0297 30.7438 175.1151 156 E 4.1418 8.6558 121.1361 56.7940 29.3294 176.8686 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 2 K 8.30 4.27 0.00 1.97 1.76 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.03 7.81 3 G 8.64 3.73 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 0.00 0.00 0.00 4 D 8.69 4.45 0.00 2.80 2.54 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 5 K 8.90 3.93 0.00 1.83 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.06 3.97 0.00 1.63 1.63 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.48 7.81 7 V 8.33 3.55 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 1.05 0.00 0.00 0.97 0.00 0.00 8 I 7.60 3.70 1.99 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 1.39 0.38 0.89 0.00 0.00 9 Q 8.00 3.99 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 10 H 8.23 4.16 0.00 3.49 3.28 0.00 5.68 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 11 L 8.33 3.99 0.00 1.82 1.73 0.94 0.62 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 12 N 8.64 4.42 0.00 2.92 2.85 0.00 0.00 6.69 8.07 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 13 K 8.05 3.91 0.00 1.90 2.03 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.29 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 7.97 3.73 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.04 0.92 0.00 0.00 15 L 8.47 4.06 0.00 1.80 1.90 0.92 1.02 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 16 G 8.38 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 0.00 0.00 0.00 17 N 8.03 4.37 0.00 3.03 2.88 0.00 0.00 7.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.25 3.96 0.00 2.17 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 2.60 2.54 0.00 19 L 8.27 3.94 0.00 1.76 1.68 0.90 0.67 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 20 I 7.56 3.65 1.98 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 1.45 0.98 0.90 0.00 0.00 21 A 7.88 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.83 3.56 1.97 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 1.48 0.87 0.85 0.00 0.00 23 N 7.81 4.34 0.00 2.75 2.83 0.00 0.00 6.78 7.48 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 24 Q 7.97 3.84 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 25 Y 7.95 4.88 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.48 3.91 0.00 3.30 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 27 L 8.25 4.00 0.00 1.82 1.59 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.25 3.86 0.00 3.55 2.90 0.00 5.72 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 29 S 8.44 4.34 0.00 4.01 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 30 R 7.82 3.82 0.00 1.99 1.88 0.00 3.00 0.00 0.00 2.78 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 31 M 7.87 3.42 0.00 0.83 1.63 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 W 7.79 4.45 0.00 3.63 3.35 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 33 N 8.44 4.33 0.00 2.84 2.84 0.00 0.00 6.67 8.86 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 34 D 7.88 4.36 0.00 2.59 2.62 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 35 W 7.87 4.80 0.00 3.73 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 36 G 8.53 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 37 L 7.91 4.73 0.00 2.18 1.66 1.35 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.64 4.13 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 39 R 7.77 3.85 0.00 1.78 1.94 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 40 L 7.84 3.72 0.00 1.38 0.20 0.37 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.09 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 42 A 8.34 4.03 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 43 H 8.42 4.03 0.00 3.30 3.21 0.00 5.60 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 44 E 8.45 3.98 0.00 2.54 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 0.00 2.78 2.68 0.00 45 Y 8.13 4.02 0.00 3.00 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 46 H 8.21 4.16 0.00 3.36 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.25 3.85 0.00 2.03 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 0.00 2.37 2.20 0.00 48 S 8.15 4.30 0.00 4.07 4.02 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 49 I 7.65 3.61 1.88 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.34 0.85 0.00 0.00 50 D 8.05 4.34 0.00 2.87 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 51 E 8.17 4.02 0.00 2.10 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 2.75 2.53 0.00 52 M 7.93 4.04 0.00 2.04 2.26 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 2.80 2.53 0.00 53 K 8.03 4.05 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 54 H 8.45 4.25 0.00 3.45 3.43 0.00 5.64 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 55 A 8.20 4.01 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 56 D 8.20 4.27 0.00 2.90 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 57 K 7.92 4.05 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 7.99 3.99 0.00 1.87 1.73 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.96 3.72 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.24 0.92 0.00 0.00 60 E 8.22 4.00 0.00 2.04 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 2.34 2.33 0.00 61 R 8.20 4.02 0.00 2.04 2.18 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.32 3.71 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.94 0.00 0.00 63 L 7.94 4.06 0.00 2.11 1.77 0.98 0.89 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 64 F 8.25 4.31 0.00 2.99 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 65 L 8.20 3.88 0.00 1.80 1.58 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.87 3.86 0.00 2.04 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 2.18 2.25 0.00 67 G 8.11 3.91 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 0.00 0.00 0.00 68 L 7.99 4.54 0.00 1.61 1.61 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.03 1.98 0.00 3.63 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 2.08 0.00 70 N 9.14 4.73 0.00 2.62 2.79 0.00 0.00 7.05 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 71 L 8.34 4.63 0.00 1.61 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.53 4.17 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.02 4.80 0.00 2.68 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 74 L 8.34 4.60 0.00 1.50 1.49 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.39 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 76 K 8.36 4.28 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.51 7.81 77 L 8.36 4.16 0.00 1.63 1.54 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.55 4.49 0.00 1.69 1.67 0.97 0.75 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 79 I 8.11 4.35 1.88 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 1.33 0.79 0.92 0.00 0.00 80 G 8.66 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 81 E 8.77 4.63 0.00 2.14 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 2.50 2.22 0.00 82 N 7.64 5.01 0.00 2.86 2.83 0.00 0.00 5.92 7.22 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 83 T 8.51 4.35 5.38 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 1.62 0.00 0.00 84 Q 8.21 3.98 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 85 E 8.67 4.03 0.00 2.37 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 2.35 2.46 0.00 86 M 8.33 3.99 0.00 1.35 1.96 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.13 0.00 87 L 8.37 4.16 0.00 1.74 1.73 0.86 0.67 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 88 Q 8.20 4.00 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.65 4.17 0.00 3.25 3.20 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 90 D 8.40 4.70 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.08 4.04 0.00 1.90 1.89 0.96 0.69 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 92 N 8.48 4.37 0.00 2.95 2.89 0.00 0.00 6.68 6.52 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 93 L 8.17 4.05 0.00 2.01 2.00 0.93 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 94 E 8.80 4.12 0.00 2.24 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 2.75 2.64 0.00 95 L 8.27 4.07 0.00 1.85 1.75 0.95 0.61 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 96 K 8.11 3.97 0.00 1.93 2.07 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.17 4.24 1.45 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 0.00 0.00 98 T 8.03 3.95 4.55 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 1.27 0.00 0.00 99 K 7.85 3.92 0.00 1.79 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 7.98 4.44 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.91 3.98 0.00 1.98 1.72 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.01 3.92 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 103 E 8.18 3.96 0.00 2.09 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 0.00 2.35 2.50 0.00 104 A 8.21 3.59 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 0.00 105 I 7.89 3.68 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.92 0.00 0.00 106 V 7.89 3.58 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 0.98 0.00 0.00 0.98 0.00 0.00 107 H 8.06 4.04 0.00 3.27 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.01 4.07 0.00 3.18 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.24 3.86 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 110 Q 7.92 3.93 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 111 V 7.31 3.98 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 0.83 0.00 0.00 0.95 0.00 0.00 112 H 7.28 2.99 0.00 3.20 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.57 4.52 0.00 2.59 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 0.00 0.00 0.00 0.00 114 Y 7.50 4.31 0.00 3.12 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 0.00 115 V 7.82 3.75 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.36 4.17 0.00 3.97 3.91 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 0.00 117 R 7.92 3.89 0.00 1.95 2.21 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 118 D 8.22 4.33 0.00 3.05 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 0.00 119 L 7.83 3.95 0.00 1.96 1.83 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.99 4.07 0.00 1.88 1.69 0.91 0.60 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 0.00 121 K 8.25 3.99 0.00 1.99 2.00 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.19 4.37 0.00 2.87 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 0.00 123 I 7.69 3.49 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.82 0.00 0.00 124 L 8.23 3.92 0.00 1.79 1.86 0.93 0.74 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 0.00 125 E 8.32 3.92 0.00 2.08 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 2.31 2.32 0.00 126 S 8.03 4.10 0.00 3.99 4.06 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 0.00 127 E 8.54 3.95 0.00 2.02 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 0.00 2.59 2.53 0.00 128 E 8.46 4.09 0.00 2.16 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 2.35 2.53 0.00 129 E 8.27 4.03 0.00 2.23 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 2.37 2.38 0.00 130 H 8.21 4.34 0.00 3.47 3.40 0.00 5.64 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 0.00 131 I 8.25 3.75 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.94 0.00 0.00 132 D 8.24 4.31 0.00 2.93 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 0.00 133 Y 8.21 4.10 0.00 3.15 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 0.00 134 L 8.22 3.62 0.00 2.07 1.67 1.09 1.37 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 0.00 135 E 8.37 3.92 0.00 2.04 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 2.31 2.45 0.00 136 T 8.07 3.80 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 1.18 0.00 0.00 137 Q 7.83 3.69 0.00 1.77 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.27 1.94 0.00 138 L 7.75 3.85 0.00 1.80 1.61 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.18 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.86 4.02 0.00 1.69 1.78 1.00 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 0.00 141 I 7.40 3.55 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.08 0.83 0.00 0.00 142 Q 7.45 3.95 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 143 K 7.87 4.16 0.00 1.75 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 144 V 8.31 4.23 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 0.79 0.00 0.00 1.12 0.00 0.00 145 G 7.67 4.02 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 0.00 0.00 0.00 146 L 8.63 3.97 0.00 1.77 1.70 0.98 0.97 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 0.00 147 E 8.09 3.95 0.00 2.06 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 2.40 0.00 148 N 8.25 4.27 0.00 3.07 2.91 0.00 0.00 6.67 7.48 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 0.00 149 Y 8.09 4.02 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 0.00 150 L 8.24 4.05 0.00 1.89 1.72 0.96 0.82 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 0.00 151 Q 8.18 3.92 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 152 S 7.83 4.21 0.00 3.76 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.55 4.70 0.00 2.87 3.01 0.00 5.81 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 0.00 154 M 7.67 4.16 0.00 1.77 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 155 H 7.56 5.21 0.00 3.09 3.18 0.00 5.72 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 0.00 156 E 8.66 4.14 0.00 1.95 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 2.30 2.30 0.00