NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1355 8.0549 114.0538 61.2464 33.0617 173.9794 2 L 4.4213 7.9931 120.2014 52.3405 43.9496 176.2625 3 S 4.4840 9.9414 121.0941 57.8773 65.7658 175.0146 4 E 4.3005 8.9766 122.9610 59.8663 29.0772 180.0822 5 G 3.6321 8.0745 104.8697 47.9534 0.0000 175.2820 6 E 3.9244 8.1328 121.2126 58.7340 29.4913 179.3839 7 W 4.3878 8.4717 119.1854 59.9929 29.1211 178.4688 8 Q 4.1314 8.5942 118.2361 59.0089 28.1007 178.9571 9 L 4.0406 8.3209 120.1968 57.8761 41.7432 179.5137 10 V 3.7458 8.1924 118.3613 66.4051 31.4219 178.0124 11 L 4.2487 8.6621 118.8372 57.9834 41.2067 178.9859 12 H 4.1276 8.5541 117.7333 59.3915 30.1979 177.0720 13 V 3.5990 8.2025 120.2845 65.8703 31.3941 177.8211 14 W 3.8882 8.9117 128.1964 60.1617 30.4170 177.6070 15 A 4.0905 8.5575 121.4068 55.1791 17.4737 179.8463 16 K 3.7297 7.6030 116.0538 59.4817 32.3390 179.2599 17 V 2.4370 7.0602 117.8850 65.7267 30.9657 177.2376 18 E 3.6687 7.7594 118.1697 59.3770 29.5026 178.4488 19 A 4.0834 7.8905 119.9489 54.0907 19.2639 177.1014 20 D 4.7943 7.9557 115.6394 52.1364 41.6699 176.4520 21 V 3.4962 7.7793 124.3854 65.1580 31.6069 177.5136 22 A 4.0228 8.1057 121.7271 54.5895 18.0402 179.5509 23 G 3.5361 7.9755 104.8223 47.7308 0.0000 175.3187 24 H 4.0013 8.5347 120.0175 58.2412 28.8649 177.7478 25 G 3.6885 8.5046 107.5178 48.2810 0.0000 175.3523 26 Q 3.7487 8.3106 121.3602 58.1510 28.7782 178.0794 27 D 4.2171 8.2312 119.2038 57.6997 41.1649 178.9392 28 I 3.5405 8.0745 119.9879 64.3567 37.1401 178.5118 29 L 3.1675 7.3162 119.1920 57.4793 41.2639 179.4391 30 I 3.4602 7.6351 119.9870 64.3058 36.9495 178.4415 31 R 3.7014 8.1279 119.5589 59.2408 29.9417 177.8865 32 L 3.9007 7.9099 120.4813 58.4543 41.7678 178.6909 33 F 4.4084 8.0555 116.2366 61.0059 39.0203 177.6188 34 K 4.0996 8.2191 116.8989 59.6043 31.8844 179.4299 35 S 4.3536 8.2135 115.0830 60.2100 63.6742 174.1802 36 H 4.6365 8.3485 120.4647 51.9952 29.4250 171.8295 37 P 4.2104 0.0000 0.0000 65.6883 31.2972 177.5136 38 E 4.0598 8.3967 115.8241 59.8928 28.9814 179.2482 39 T 3.5628 7.9925 110.0633 64.0202 69.2555 176.0959 40 L 3.3737 7.5891 122.7662 57.5003 42.0687 178.2221 41 E 4.0881 8.2932 117.9821 59.1647 29.3746 179.0280 42 K 4.3703 7.5751 117.6783 58.4899 32.7139 177.5040 43 F 4.4967 8.0074 120.0843 56.3708 39.3483 175.4902 44 D 4.3680 8.7948 124.1949 57.8770 40.7247 178.7619 45 R 3.8746 7.7366 115.9464 58.4578 30.2030 178.1617 46 F 4.7203 7.4491 116.8819 59.4105 39.2657 177.5413 47 K 3.8478 8.5754 119.9111 60.1064 31.6301 177.8085 48 H 4.1385 7.6702 113.0843 58.2519 29.6721 176.1879 49 L 4.3926 7.8765 123.2646 52.5847 40.3826 177.0812 50 K 3.8744 7.9429 121.6992 59.1908 33.1058 177.2053 51 T 4.0732 7.7719 112.2418 64.2865 66.4753 174.9594 52 E 3.4218 8.7393 120.4138 57.4020 27.1650 173.1246 53 A 3.6427 8.2549 127.9272 51.6488 17.3762 178.9702 54 E 4.1834 8.5145 125.3520 58.6041 29.6988 177.1385 55 M 3.1833 8.0680 113.2136 56.3710 30.4901 175.2702 56 K 4.2407 7.2692 114.2238 53.9455 37.0281 177.3056 57 A 3.8101 7.9851 125.7371 53.8911 16.4904 174.5896 58 S 4.5629 7.0416 116.5370 56.8649 65.9930 170.2187 59 E 3.9464 8.3075 121.8933 57.7967 29.1617 175.6268 60 D 4.4238 7.8765 116.2278 57.2310 41.7187 178.2700 61 L 3.6458 8.2118 120.5483 57.8489 41.9301 178.7014 62 K 3.8331 7.9091 118.9082 59.4676 32.2817 178.4053 63 K 3.9001 8.2558 118.8885 59.9440 32.0841 178.7290 64 H 4.3366 8.8375 118.4788 59.3815 29.9007 177.1509 65 G 3.8018 8.5663 107.9194 48.0462 0.0000 175.6009 66 V 3.5541 8.1187 120.5842 66.0418 31.6605 177.9118 67 T 3.8868 7.7986 115.5160 66.9585 68.3702 176.3738 68 V 3.5836 8.2460 119.9490 66.1499 31.6330 177.9733 69 L 4.2570 8.4582 118.9801 58.2318 41.4389 179.7514 70 T 3.9918 8.6118 115.8449 66.5058 68.4681 176.4556 71 A 3.9439 8.1136 122.5667 55.2598 18.4491 179.4815 72 L 3.6131 7.9986 118.7345 57.7800 41.9981 179.4856 73 G 2.9752 8.3425 105.8727 47.5231 0.0000 175.3198 74 A 3.9425 8.1251 124.3300 54.7459 18.0973 179.6725 75 I 3.6032 7.4337 117.7062 64.5669 37.1562 178.5535 76 L 4.0746 7.7500 119.8516 57.7569 41.2030 179.5033 77 K 3.7681 8.0025 118.3831 59.3766 32.3233 178.3273 78 K 3.9517 8.3469 116.2954 56.1300 32.5136 177.1845 79 K 2.0000 7.9022 118.8697 56.6769 31.5350 174.2747 80 G 3.9412 6.9303 108.1497 47.1406 0.0000 173.9832 81 H 4.4335 8.2341 119.5005 58.6415 27.6322 177.1148 82 H 3.8638 6.7081 121.5154 57.5224 25.5133 174.5894 83 E 3.6292 8.8411 115.8288 56.6024 28.5447 176.1576 84 A 4.0351 8.9136 121.7271 52.7435 18.2254 178.5332 85 E 4.5712 7.8001 113.1805 56.2107 35.4832 175.7662 86 L 4.3479 7.4585 123.0972 57.5811 42.2078 177.5164 87 K 4.4440 7.4534 116.8998 58.7603 32.1684 176.4731 88 P 4.3394 0.0000 0.0000 65.5571 31.2959 178.5182 89 L 4.1835 8.2121 119.8306 57.2483 42.0569 178.4863 90 A 4.1005 8.3076 121.0772 55.2579 18.2918 179.1641 91 Q 3.6953 8.5669 118.5430 59.3457 29.0391 178.7087 92 S 3.9914 8.0338 114.9481 62.0739 61.9945 176.2759 93 H 4.3135 8.4840 120.2922 58.0155 28.3781 176.9297 94 A 3.3644 8.1710 124.3774 54.5858 17.8074 179.6570 95 T 3.7400 8.0993 108.6483 64.1435 69.1508 176.3275 96 K 4.2443 8.0723 120.9801 57.6982 32.8762 177.7440 97 H 4.4882 6.9467 113.3575 56.1643 29.1964 175.2211 98 K 4.0105 7.1945 119.4387 58.7022 31.7754 178.7317 99 I 2.9739 8.0727 119.4544 61.5644 37.8430 175.4595 100 P 4.3772 0.0000 0.0000 63.7213 31.6918 176.6034 101 I 3.1755 8.3126 119.7614 63.4208 37.0477 181.0684 102 K 3.3189 7.3556 116.6122 57.7599 34.9040 176.0075 103 Y 4.2496 7.7735 116.9830 61.4836 38.0070 178.9872 104 L 4.2513 8.4035 119.9370 57.5841 41.6003 179.3099 105 E 4.0651 8.3350 119.1293 59.1542 29.2725 179.2402 106 F 4.4772 8.0063 117.5905 60.7474 39.1000 177.4263 107 I 3.7736 8.4809 118.6110 63.8320 37.6270 178.0844 108 S 4.1718 8.4382 116.7109 61.5731 62.7138 176.0380 109 E 3.9840 8.5202 121.7203 59.3070 29.3339 178.5225 110 A 3.9684 8.2921 120.8156 55.3665 18.3662 179.3211 111 I 3.6084 8.2106 118.4263 64.8685 37.2257 178.5735 112 I 3.8036 8.1314 120.5415 64.6633 36.8950 177.8141 113 H 3.9887 8.6574 119.3269 59.3345 29.6924 177.3228 114 V 3.4581 8.1084 120.1530 65.8981 31.3140 177.7032 115 L 3.5787 7.8111 118.8640 58.1321 41.1332 179.0748 116 H 4.0749 8.0607 116.8055 59.3153 29.8408 177.2166 117 S 4.1983 8.0244 116.3593 61.7507 62.7899 176.5382 118 R 4.0074 7.9554 119.5116 57.7302 31.1104 176.7043 119 H 5.0069 8.2771 115.4180 54.0972 29.1820 170.8139 120 P 4.7218 0.0000 0.0000 63.5575 32.5859 176.4689 121 G 4.2864 8.8436 111.3675 45.9834 0.0000 174.6725 122 D 4.5232 7.8852 118.2736 54.7220 40.7333 177.2002 123 F 4.4197 8.2280 123.4124 56.7995 37.7070 174.3248 124 G 3.9583 7.3539 111.1718 42.8156 0.0000 171.0857 125 A 3.9793 8.2945 121.2262 55.3248 18.2761 179.4987 126 D 4.1893 8.0015 116.5758 56.5545 39.4381 178.3793 127 A 3.8568 7.6487 122.1247 54.6465 18.5337 179.2207 128 Q 3.6652 7.3616 116.3054 59.3862 28.3363 179.2126 129 G 3.5879 8.3495 107.7771 47.2072 0.0000 175.6321 130 A 3.8280 7.8641 122.9980 55.0572 18.4786 179.2341 131 M 3.9872 8.4112 117.1518 58.8798 32.3227 177.6610 132 N 4.2942 8.5925 117.4042 56.8284 39.1051 176.6748 133 K 4.0033 8.2741 119.6680 59.5149 32.0741 179.0335 134 A 3.8944 8.1864 121.1725 55.2110 18.2636 179.6340 135 L 4.0641 8.4201 117.8036 58.0116 41.7211 179.6070 136 E 3.9719 8.6322 118.8647 59.3934 29.4017 179.2682 137 L 3.9636 8.3571 119.3262 57.7961 41.6493 179.2516 138 F 3.9230 8.3700 120.5381 61.4147 39.2576 177.1302 139 R 3.4245 8.2348 117.8516 59.2162 29.8205 179.0151 140 K 3.8123 8.3933 119.4838 59.2812 32.1121 178.4223 141 D 4.2040 8.1783 118.8391 57.3230 41.2112 178.1720 142 I 3.4291 7.4051 120.2511 64.1206 36.8557 178.1077 143 A 3.5725 7.8762 121.5950 55.0794 18.1492 179.5290 144 A 3.9447 8.1276 119.3985 55.3512 18.4701 180.0190 145 K 3.9693 8.5030 117.3757 59.8756 32.1043 179.2019 146 Y 4.4104 8.7317 117.3281 60.7068 37.5685 178.9891 147 K 4.1059 7.8954 119.8201 59.4824 32.0808 178.8681 148 E 3.9841 8.0806 117.3827 59.7294 29.4110 178.8463 149 L 4.1624 8.3638 115.8066 55.4694 42.1331 176.5874 150 G 3.6661 8.3333 106.4743 47.1901 0.0000 172.5663 151 Y 4.3640 8.4387 115.8980 59.5415 40.8477 178.9954 152 Q 4.2635 8.1930 118.6241 58.2673 29.4170 176.7914 153 G 3.8364 7.4321 109.8001 45.8409 0.0000 173.1140 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 4.14 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 0.94 0.00 0.00 0.94 0.00 0.00 2 L 7.99 4.42 0.00 0.40 0.34 0.51 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.94 4.48 0.00 3.79 3.79 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 4 E 8.98 4.30 0.00 2.07 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 2.51 2.49 0.00 5 G 8.07 3.63 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 0.00 0.00 0.00 6 E 8.13 3.92 0.00 2.01 1.78 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 2.31 2.34 0.00 7 W 8.47 4.39 0.00 3.46 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 8 Q 8.59 4.13 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 9 L 8.32 4.04 0.00 1.79 1.77 0.96 0.77 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 10 V 8.19 3.75 2.47 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 1.13 0.00 0.00 0.91 0.00 0.00 11 L 8.66 4.25 0.00 1.93 1.81 0.96 1.08 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 12 H 8.55 4.13 0.00 3.16 3.70 0.00 5.96 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 13 V 8.20 3.60 2.40 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 0.89 0.00 0.00 1.28 0.00 0.00 14 W 8.91 3.89 0.00 3.62 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 15 A 8.56 4.09 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 7.60 3.73 0.00 1.52 1.53 0.00 1.37 0.00 0.00 1.36 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.36 7.81 17 V 7.06 2.44 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 0.00 0.00 -0.51 0.00 0.00 0.30 0.00 0.00 18 E 7.76 3.67 0.00 1.92 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 2.42 2.40 0.00 19 A 7.89 4.08 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 20 D 7.96 4.79 0.00 2.67 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 7.78 3.50 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 0.87 0.00 0.00 0.94 0.00 0.00 22 A 8.11 4.02 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 23 G 7.98 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 24 H 8.53 4.00 0.00 3.11 3.17 0.00 5.84 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 8.50 3.69 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 0.00 0.00 0.00 26 Q 8.31 3.75 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 27 D 8.23 4.22 0.00 2.65 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 28 I 8.07 3.54 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.45 0.84 0.00 0.00 29 L 7.32 3.17 0.00 1.37 0.44 0.55 0.52 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 30 I 7.64 3.46 1.83 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 1.26 0.88 0.86 0.00 0.00 31 R 8.13 3.70 0.00 1.84 1.99 0.00 2.97 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 32 L 7.91 3.90 0.00 1.72 1.63 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.06 4.41 0.00 3.04 2.93 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 0.00 0.00 0.00 0.00 34 K 8.22 4.10 0.00 1.72 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.62 7.81 35 S 8.21 4.35 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 36 H 8.35 4.64 0.00 2.92 2.94 0.00 5.65 0.00 0.00 0.00 0.00 6.71 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 4.21 0.00 2.16 2.32 0.00 3.58 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 38 E 8.40 4.06 0.00 2.42 2.38 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 2.57 2.81 0.00 39 T 7.99 3.56 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 40 L 7.59 3.37 0.00 1.28 1.71 0.88 0.29 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 41 E 8.29 4.09 0.00 2.02 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 2.56 2.51 0.00 42 K 7.58 4.37 0.00 2.03 2.13 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.25 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.32 7.81 43 F 8.01 4.50 0.00 3.15 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 44 D 8.79 4.37 0.00 2.77 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 45 R 7.74 3.87 0.00 1.06 1.54 0.00 3.11 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 46 F 7.45 4.72 0.00 2.75 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 47 K 8.58 3.85 0.00 2.06 2.04 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.80 7.81 48 H 7.67 4.14 0.00 3.42 3.41 0.00 5.60 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 49 L 7.88 4.39 0.00 1.78 1.70 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.94 3.87 0.00 1.70 1.87 0.00 1.60 0.00 0.00 0.61 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.56 7.81 51 T 7.77 4.07 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 1.20 0.00 0.00 52 E 8.74 3.42 0.00 2.05 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 2.36 2.34 0.00 53 A 8.25 3.64 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 54 E 8.51 4.18 0.00 1.95 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 2.30 2.27 0.00 55 M 8.07 3.18 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 56 K 7.27 4.24 0.00 1.73 1.58 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.60 7.81 57 A 7.99 3.81 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 58 S 7.04 4.56 0.00 3.94 3.75 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 59 E 8.31 3.95 0.00 2.21 1.96 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 2.29 2.25 0.00 60 D 7.88 4.42 0.00 2.84 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 61 L 8.21 3.65 0.00 1.61 1.58 -0.14 0.39 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 7.91 3.83 0.00 1.95 1.95 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.60 7.81 63 K 8.26 3.90 0.00 2.11 1.95 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.81 7.81 64 H 8.84 4.34 0.00 3.58 3.43 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 65 G 8.57 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.12 3.55 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 0.91 0.00 0.00 1.00 0.00 0.00 67 T 7.80 3.89 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 1.29 0.00 0.00 68 V 8.25 3.58 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 1.02 0.00 0.00 0.88 0.00 0.00 69 L 8.46 4.26 0.00 1.76 1.91 0.79 0.76 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 70 T 8.61 3.99 4.41 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 1.25 0.00 0.00 71 A 8.11 3.94 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 72 L 8.00 3.61 0.00 1.39 1.50 -0.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.34 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 0.00 0.00 0.00 74 A 8.13 3.94 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 75 I 7.43 3.60 1.81 0.00 0.00 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 1.68 0.92 0.99 0.00 0.00 76 L 7.75 4.07 0.00 1.24 1.52 -0.31 1.22 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 77 K 8.00 3.77 0.00 1.61 1.92 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 78 K 8.35 3.95 0.00 1.90 1.82 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.43 7.81 79 K 7.90 2.00 0.00 0.79 0.74 0.00 1.39 0.00 0.00 1.40 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.08 0.93 7.81 80 G 6.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.23 4.43 0.00 3.17 3.24 0.00 5.84 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 82 H 6.71 3.86 0.00 3.25 3.41 0.00 5.86 0.00 0.00 0.00 0.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.84 3.63 0.00 2.23 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 2.29 2.30 0.00 84 A 8.91 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.80 4.57 0.00 1.95 1.90 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 2.26 2.25 0.00 86 L 7.46 4.35 0.00 2.12 1.82 0.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.45 4.44 0.00 1.88 1.83 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.75 7.81 88 P 0.00 4.34 0.00 2.19 2.13 0.00 3.66 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 2.14 2.17 0.00 89 L 8.21 4.18 0.00 1.80 1.91 1.06 1.34 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 90 A 8.31 4.10 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 91 Q 8.57 3.70 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 92 S 8.03 3.99 0.00 4.08 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 8.48 4.31 0.00 3.43 3.57 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 94 A 8.17 3.36 0.26 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 95 T 8.10 3.74 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 1.16 0.00 0.00 96 K 8.07 4.24 0.00 1.46 1.71 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.34 7.81 97 H 6.95 4.49 0.00 3.32 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.19 4.01 0.00 1.69 2.01 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.26 7.81 99 I 8.07 2.97 1.85 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 1.40 0.51 0.86 0.00 0.00 100 P 0.00 4.38 0.00 2.11 2.09 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 101 I 8.31 3.18 1.75 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.20 0.81 0.00 0.00 102 K 7.36 3.32 0.00 1.68 1.53 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.02 1.18 7.81 103 Y 7.77 4.25 0.00 3.13 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 0.00 104 L 8.40 4.25 0.00 1.73 1.93 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.34 4.07 0.00 2.00 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 2.31 2.39 0.00 106 F 8.01 4.48 0.00 3.21 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 0.00 107 I 8.48 3.77 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 1.06 0.00 0.00 108 S 8.44 4.17 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.52 3.98 0.00 2.21 2.27 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 2.40 2.45 0.00 110 A 8.29 3.97 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 0.00 111 I 8.21 3.61 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 1.02 0.00 0.00 112 I 8.13 3.80 2.10 0.00 0.00 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 1.73 1.04 1.14 0.00 0.00 113 H 8.66 3.99 0.00 3.30 3.47 0.00 5.79 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 0.00 114 V 8.11 3.46 1.93 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 0.74 0.00 0.00 0.98 0.00 0.00 115 L 7.81 3.58 0.00 0.86 0.13 0.72 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.06 4.07 0.00 3.42 3.39 0.00 5.76 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 0.00 117 S 8.02 4.20 0.00 3.85 3.81 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 0.00 118 R 7.96 4.01 0.00 1.18 1.47 0.00 2.57 0.00 0.00 2.94 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 119 H 8.28 5.01 0.00 3.12 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.72 0.00 2.22 2.13 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 121 G 8.84 4.29 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 0.00 122 D 7.89 4.52 0.00 2.86 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 0.00 123 F 8.23 4.42 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.35 3.96 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 0.00 0.00 0.00 125 A 8.29 3.98 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 0.00 126 D 8.00 4.19 0.00 2.82 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 0.00 127 A 7.65 3.86 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 0.00 128 Q 7.36 3.67 0.00 2.18 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 129 G 8.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.86 3.83 1.33 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 0.00 0.00 131 M 8.41 3.99 0.00 2.41 2.41 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.85 0.00 132 N 8.59 4.29 0.00 2.90 2.99 0.00 0.00 7.29 7.02 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 0.00 133 K 8.27 4.00 0.00 1.90 1.72 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.52 7.81 134 A 8.19 3.89 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 0.00 135 L 8.42 4.06 0.00 1.93 1.84 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.63 3.97 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 137 L 8.36 3.96 0.00 1.91 1.85 1.03 1.00 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 0.00 138 F 8.37 3.92 0.00 3.10 3.31 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 0.00 139 R 8.23 3.42 0.00 2.01 1.85 0.00 3.44 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 1.61 1.67 0.00 140 K 8.39 3.81 0.00 1.81 1.92 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.56 7.81 141 D 8.18 4.20 0.00 2.79 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 0.00 142 I 7.41 3.43 1.42 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.36 0.30 0.00 0.00 143 A 7.88 3.57 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 0.00 144 A 8.13 3.94 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 8.50 3.97 0.00 2.01 1.94 0.00 1.68 0.00 0.00 1.94 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.65 7.81 146 Y 8.73 4.41 0.00 3.14 3.04 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 0.00 147 K 7.90 4.11 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.73 7.81 148 E 8.08 3.98 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 149 L 8.36 4.16 0.00 1.72 1.91 0.87 1.01 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 0.00 150 G 8.33 3.67 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 0.00 0.00 0.00 151 Y 8.44 4.36 0.00 2.96 2.77 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 0.00 0.00 0.00 0.00 152 Q 8.19 4.26 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.09 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 153 G 7.43 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00