NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4289 8.3044 120.3257 54.5942 33.6127 174.4383 2 E 3.9515 8.5197 121.5798 56.1079 30.5402 173.9004 3 K 5.1309 8.8814 125.9256 54.7750 35.5023 174.8726 4 S 4.8016 8.9899 117.2472 56.5458 66.5182 172.3335 5 F 5.2334 8.7785 126.6243 57.0418 40.7964 174.3759 6 I 4.5041 8.0879 127.4239 59.4812 40.2364 174.4617 7 M 4.6886 8.2179 125.9689 53.4847 35.3371 174.2343 8 I 4.4153 8.4088 128.3026 60.6953 38.3115 176.3351 9 K 4.4246 9.2629 127.6166 55.4975 33.2346 176.6361 10 P 5.0125 0.0000 0.0000 65.4893 31.1492 178.7410 11 D 4.4861 8.2019 117.0931 56.1974 39.2747 178.6950 12 G 3.5154 7.9891 107.5006 47.7455 0.0000 175.9684 13 V 3.6569 7.5885 120.3526 65.6732 31.4105 178.0379 14 Q 4.0506 8.0951 117.3308 58.4025 28.6631 177.5882 15 R 4.2600 7.6964 116.6751 55.4234 30.8426 175.6799 16 G 3.7544 7.6917 104.4805 48.3644 0.0000 174.9028 17 L 4.4030 7.7188 116.1789 54.0788 42.2741 178.0207 18 V 3.6314 7.6507 119.9284 66.0520 31.4262 177.6564 19 G 3.8422 8.1145 104.6381 48.5228 0.0000 175.0935 20 T 3.9260 7.8834 118.0812 66.1331 68.5630 176.4371 21 I 3.7789 7.9430 121.6803 64.5273 37.1019 178.4046 22 I 4.0016 7.9735 120.4747 64.5562 36.9579 178.1788 23 K 3.9397 8.5118 120.7264 59.7929 32.0428 178.5709 24 R 3.8625 8.1709 118.7549 59.5333 29.4573 178.5749 25 F 3.8079 8.0533 117.0968 60.1461 38.7488 177.7061 26 E 4.3389 8.7265 118.7466 59.5543 29.1445 179.5219 27 K 4.1474 8.2055 117.1448 58.6392 32.2046 178.7908 28 K 4.0449 7.3981 117.5917 57.3687 32.0873 177.3716 29 G 3.9933 7.9151 106.9924 45.7375 0.0000 172.9415 30 Y 5.0278 7.3007 115.5731 56.8254 39.9755 175.0845 31 K 4.6847 9.1747 122.7700 54.5721 34.3268 174.9277 32 L 3.8464 8.9240 131.0699 54.8424 42.0773 176.1729 33 I 4.8160 8.4433 118.6490 60.7971 40.2380 175.0849 34 A 4.6860 7.2690 124.0658 50.6577 22.4116 174.8752 35 I 5.0297 8.0029 121.1945 59.7584 41.3253 173.7524 36 K 4.6935 9.2636 128.4368 55.6029 36.1649 173.5857 37 M 5.2844 8.6025 126.0440 53.8402 34.2027 174.6443 38 L 4.6275 8.6717 124.5555 54.8438 44.7265 174.3530 39 N 5.0153 8.6189 118.3109 51.0102 39.1232 173.3801 40 P 4.3265 0.0000 0.0000 62.4563 32.4384 177.3615 41 T 4.0080 8.1013 118.3559 62.9963 70.3599 175.0099 42 E 3.8360 8.6545 124.0983 59.6854 28.2755 178.8346 43 E 3.8641 8.1120 118.5220 59.5132 29.3370 178.7960 44 I 3.6185 7.4378 119.1179 64.2236 36.8971 178.2883 45 L 3.9138 8.2707 120.2515 57.6903 41.1962 179.7452 46 K 4.1431 8.1174 117.9630 59.4510 32.0909 178.7721 47 E 4.1359 7.5397 116.2029 58.8395 29.5674 178.0668 48 H 4.3306 7.6447 117.7169 58.8380 30.3896 176.6728 49 Y 4.9673 7.6212 117.5796 57.7307 38.8984 178.1693 50 K 4.0420 8.2224 122.7167 59.9025 32.2793 177.4885 51 E 4.1855 8.2702 116.3940 58.4935 29.6686 176.9830 52 L 4.7646 7.4519 118.0164 54.9177 42.3822 178.5318 53 S 3.2364 7.5276 115.7037 61.4827 63.2311 176.7167 54 D 4.7218 7.6478 119.5176 53.8901 39.5452 176.3495 55 Q 4.6299 7.4303 116.0403 53.4927 33.3045 173.9176 56 P 4.3653 0.0000 0.0000 65.6502 31.3894 177.4973 57 F 5.1977 7.9542 118.9455 56.0344 37.6714 174.3957 58 F 4.7783 8.5738 125.6320 58.8903 41.4827 176.3889 59 K 3.9503 8.1377 121.0748 58.9870 32.2448 178.2766 60 N 4.1119 8.0111 115.8934 55.7517 38.3288 177.2956 61 L 3.8767 7.5420 120.3268 57.5205 41.6020 179.2952 62 V 3.6302 7.2363 117.4585 65.2331 30.4944 178.1199 63 A 3.9521 7.4556 120.5184 55.4162 18.2578 178.6900 64 Y 3.8358 7.8200 111.1962 59.2122 38.6154 176.9011 65 I 4.2328 7.4782 121.1487 63.3691 37.9579 177.4266 66 S 4.1289 7.6156 113.0532 61.4249 62.2379 175.5602 67 K 3.9792 7.3605 121.9015 59.2350 32.0818 177.4296 68 G 3.9300 7.6081 105.9113 44.2458 0.0000 171.0241 69 P 4.7120 0.0000 0.0000 62.4600 33.2796 175.5567 70 V 4.9031 8.4382 113.2152 59.7540 36.4785 174.9551 71 V 4.3363 8.3927 123.9455 61.3663 32.9245 174.3340 72 A 4.6217 8.9660 131.0427 51.4894 20.5727 175.8135 73 M 5.2271 8.6378 119.1567 53.7853 37.4761 174.1934 74 V 4.8769 8.3780 120.7042 60.9977 34.6795 174.3698 75 W 5.2722 8.9970 127.1258 54.8604 32.5759 174.2171 76 E 5.0858 10.7031 123.6968 53.8413 32.6633 175.2183 77 G 4.8503 8.2967 114.2110 43.8304 0.0000 172.6507 78 V 3.5505 8.1520 120.1981 64.4397 32.2646 175.3354 79 D 4.5315 8.9196 126.2587 55.4945 39.8747 174.7938 80 M 3.6684 7.9768 119.2379 58.4986 32.6319 176.8061 81 V 3.5494 8.2445 118.4753 65.9765 31.7541 177.9791 82 K 3.9757 7.9704 118.8647 59.6641 32.1617 178.6537 83 Q 4.1620 8.1471 118.0873 58.6987 28.6163 178.9263 84 G 3.5939 8.2793 106.9122 47.9219 0.0000 175.9015 85 R 3.9585 7.9904 120.9400 58.7403 29.8472 179.0718 86 K 3.8954 8.1115 118.7236 59.5008 32.4768 178.3163 87 L 3.9478 8.2756 120.9578 57.8930 41.8101 179.1288 88 I 3.7874 7.8226 119.9801 64.9526 37.2947 175.5218 89 G 4.1037 8.3249 102.6048 43.9574 0.0000 172.6472 90 E 4.2218 8.3171 117.9925 56.2524 30.1078 177.7259 91 T 3.9297 8.5602 116.7166 66.8246 68.7188 174.4853 92 N 4.6263 7.9946 121.4718 52.0529 39.0744 173.7762 93 P 4.4705 0.0000 0.0000 64.3805 31.8231 177.5393 94 L 4.1003 7.9631 120.3944 57.8007 42.1427 177.5554 95 T 4.2442 7.5162 105.9977 62.1932 69.5106 174.8709 96 S 4.2874 7.7826 117.7214 57.6703 62.9883 173.3497 97 N 4.5237 8.5219 124.5740 53.3295 39.0734 174.7371 98 T 3.9097 8.0807 117.9765 64.8025 69.2646 173.6183 99 G 4.1103 8.8287 113.6956 46.3908 0.0000 175.4040 100 T 4.3006 7.4511 109.4085 60.8564 70.9896 175.5838 101 I 3.9431 8.3600 123.3191 65.1637 37.3735 179.2326 102 R 4.1867 8.4175 118.7421 58.8367 29.6731 178.8348 103 G 3.7854 8.0450 103.7445 46.1217 0.0000 174.5963 104 D 4.4326 7.6112 119.6250 54.6681 41.6956 177.0674 105 F 4.9887 8.0479 115.2727 56.9550 41.4073 174.8405 106 C 5.0537 7.9346 116.6148 57.8857 30.9734 173.2715 107 L 4.6087 8.5746 119.7881 55.5653 44.0780 177.0363 108 E 4.8102 7.7228 116.7829 53.9812 32.1829 177.4795 109 V 3.7615 8.3848 121.7929 64.4501 31.7940 177.7679 110 S 4.2382 8.0838 114.5919 60.2226 63.2560 174.3236 111 K 4.5132 7.6188 119.8446 53.9680 31.7918 175.2677 112 N 4.9280 8.0838 119.3336 52.0479 38.3711 178.9355 113 V 3.1606 8.7560 115.7898 63.8562 31.6859 172.5586 114 I 5.1498 8.7260 117.3326 59.5104 41.4907 173.8899 115 H 5.0753 9.4709 126.6712 54.3468 32.5672 173.0733 116 G 4.3813 8.1784 110.3770 44.0384 0.0000 172.4496 117 S 4.5465 8.1941 118.4272 58.6227 62.8834 174.5632 118 D 4.5448 8.9006 123.1931 55.4782 40.1784 176.6891 119 S 4.6798 7.6690 111.6642 55.3264 67.1141 174.5190 120 V 3.5808 8.4379 123.8790 66.1343 30.7155 178.0245 121 A 4.0267 7.9476 119.9362 55.3792 18.3552 179.6785 122 S 4.1755 8.1100 112.9225 61.2117 62.9396 176.6508 123 A 4.0827 8.2205 123.9650 55.4779 17.8000 179.5064 124 N 4.4682 8.2190 114.8856 56.2447 38.3906 177.9950 125 K 4.0267 7.8307 119.4461 59.4884 32.2513 179.2628 126 E 3.9876 8.3091 118.8625 59.3265 29.2796 179.3826 127 I 3.7969 8.2056 120.2675 64.6395 37.0024 178.1475 128 N 4.3883 7.6632 115.5062 56.3396 38.4335 177.1634 129 I 3.7967 7.4220 113.3281 63.1367 37.9140 177.5972 130 W 4.0240 7.7741 118.8800 56.5759 29.7061 176.4702 131 F 5.1253 7.9282 115.7386 55.4043 42.1497 174.8144 132 K 4.4383 9.7476 122.9089 55.1631 33.2097 178.1287 133 A 4.0596 8.6747 124.0988 55.3750 18.4708 180.0058 134 E 4.0291 8.2254 112.4199 59.4062 29.7776 178.2696 135 E 4.0693 8.0368 118.6915 59.0177 29.6685 177.0774 136 L 4.2406 7.5311 119.2993 55.0601 41.8877 177.1921 137 T 4.4512 8.8038 116.0162 60.8019 70.2953 174.3598 138 Q 4.7206 8.7166 124.4573 54.3728 29.8128 175.1636 139 W 5.2140 8.3533 120.1815 54.5293 31.2121 174.2508 140 K 3.9828 8.7143 122.1238 55.8728 32.0359 175.8913 141 H 4.5225 8.3767 127.0072 55.7234 29.7164 175.0691 142 H 4.2476 9.1810 127.9869 59.3772 30.0241 175.6819 143 M 4.3652 7.9452 117.0378 56.2890 32.6791 177.3169 144 K 3.7958 7.6525 119.2173 60.1571 31.8985 177.9693 145 E 3.7450 8.1089 117.7864 58.6968 29.3922 178.2636 146 W 4.7430 7.9843 115.4983 56.6279 29.6071 176.6559 147 I 4.3780 7.5796 119.3856 61.5631 39.1223 174.4719 148 C 4.9941 7.8265 116.9949 57.2707 31.0531 174.0700 149 S 4.2354 8.6373 114.1826 59.4120 62.3044 174.0735 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 M 8.30 4.43 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 2 E 8.52 3.95 0.00 2.16 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 2.38 2.42 0.00 3 K 8.88 5.13 0.00 1.67 1.70 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.61 7.81 4 S 8.99 4.80 0.00 3.86 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 5 F 8.78 5.23 0.00 3.24 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 6 I 8.09 4.50 1.73 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 0.96 0.67 0.60 0.00 0.00 7 M 8.22 4.69 0.00 1.59 0.83 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 8 I 8.41 4.42 1.82 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 1.19 0.51 0.90 0.00 0.00 9 K 9.26 4.42 0.00 1.78 1.82 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.45 7.81 10 P 0.00 5.01 0.00 2.21 2.18 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.19 0.00 11 D 8.20 4.49 0.00 2.85 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.99 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.59 3.66 2.18 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 1.06 0.00 0.00 0.92 0.00 0.00 14 Q 8.10 4.05 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 15 R 7.70 4.26 0.00 1.92 1.87 0.00 3.39 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 16 G 7.69 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 0.00 0.00 0.00 17 L 7.72 4.40 0.00 1.46 1.21 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.65 3.63 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 1.05 0.00 0.00 0.91 0.00 0.00 19 G 8.11 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 20 T 7.88 3.93 4.15 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 1.20 0.00 0.00 21 I 7.94 3.78 2.10 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 1.56 0.85 0.99 0.00 0.00 22 I 7.97 4.00 2.14 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 1.67 0.97 1.22 0.00 0.00 23 K 8.51 3.94 0.00 1.95 2.05 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.53 7.81 24 R 8.17 3.86 0.00 2.17 2.00 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 25 F 8.05 3.81 0.00 2.37 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 26 E 8.73 4.34 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.98 0.00 27 K 8.21 4.15 0.00 1.80 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.61 7.81 28 K 7.40 4.04 0.00 1.60 1.79 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 1.00 7.81 29 G 7.92 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 30 Y 7.30 5.03 0.00 3.27 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 31 K 9.17 4.68 0.00 1.73 1.84 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.78 7.81 32 L 8.92 3.85 0.00 0.48 1.28 -0.53 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.44 4.82 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.10 0.97 0.00 0.00 34 A 7.27 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.00 5.03 1.66 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 1.21 0.93 0.81 0.00 0.00 36 K 9.26 4.69 0.00 2.01 1.97 0.00 1.30 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.43 7.81 37 M 8.60 5.28 0.00 2.06 1.93 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 2.57 2.52 0.00 38 L 8.67 4.63 0.00 1.76 1.73 0.90 0.79 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 39 N 8.62 5.02 0.00 2.63 2.83 0.00 0.00 6.97 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 40 P 0.00 4.33 0.00 2.24 2.36 0.00 4.00 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 41 T 8.10 4.01 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 1.15 0.00 0.00 42 E 8.65 3.84 0.00 2.00 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 0.00 2.36 2.35 0.00 43 E 8.11 3.86 0.00 2.06 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 2.32 2.42 0.00 44 I 7.44 3.62 1.46 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 1.34 0.46 -0.08 0.00 0.00 45 L 8.27 3.91 0.00 1.96 1.75 0.98 1.10 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 46 K 8.12 4.14 0.00 1.76 2.00 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.63 7.81 47 E 7.54 4.14 0.00 1.90 1.92 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 2.31 2.31 0.00 48 H 7.64 4.33 0.00 3.26 3.48 0.00 5.98 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 49 Y 7.62 4.97 0.00 3.25 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 50 K 8.22 4.04 0.00 2.02 1.85 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 E 8.27 4.19 0.00 2.05 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 2.33 2.36 0.00 52 L 7.45 4.76 0.00 2.04 1.84 1.20 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.53 3.24 0.00 3.78 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 54 D 7.65 4.72 0.00 2.63 2.65 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 55 Q 7.43 4.63 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 56 P 0.00 4.37 0.00 1.93 2.04 0.00 3.69 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 1.99 2.10 0.00 57 F 7.95 5.20 0.00 2.99 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 58 F 8.57 4.78 0.00 2.94 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.14 3.95 0.00 1.89 1.80 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.48 7.81 60 N 8.01 4.11 0.00 2.33 2.62 0.00 0.00 7.17 6.74 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 61 L 7.54 3.88 0.00 1.39 1.48 0.76 0.64 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 62 V 7.24 3.63 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 0.95 0.00 0.00 0.65 0.00 0.00 63 A 7.46 3.95 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 64 Y 7.82 3.84 0.00 2.91 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 65 I 7.48 4.23 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.24 1.05 0.00 0.00 66 S 7.62 4.13 0.00 4.05 3.90 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 67 K 7.36 3.98 0.00 1.86 1.74 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.45 7.81 68 G 7.61 3.93 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 0.00 0.00 0.00 69 P 0.00 4.71 0.00 2.14 2.19 0.00 3.67 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 2.07 2.00 0.00 70 V 8.44 4.90 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 0.84 0.00 0.00 1.10 0.00 0.00 71 V 8.39 4.34 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 0.94 0.00 0.00 0.92 0.00 0.00 72 A 8.97 4.62 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 73 M 8.64 5.23 0.00 1.57 1.95 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 2.44 2.33 0.00 74 V 8.38 4.88 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 1.00 0.00 0.00 0.75 0.00 0.00 75 W 9.00 5.27 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.70 5.09 0.00 1.95 1.74 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 2.19 2.22 0.00 77 G 8.30 4.85 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 0.00 0.00 0.00 78 V 8.15 3.55 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 0.83 0.00 0.00 0.98 0.00 0.00 79 D 8.92 4.53 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 80 M 7.98 3.67 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 81 V 8.24 3.55 2.18 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 1.03 0.00 0.00 1.00 0.00 0.00 82 K 7.97 3.98 0.00 1.88 2.13 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.54 7.81 83 Q 8.15 4.16 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.85 2.66 0.00 84 G 8.28 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 85 R 7.99 3.96 0.00 2.13 2.00 0.00 3.32 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 86 K 8.11 3.90 0.00 1.89 1.87 0.00 1.78 0.00 0.00 1.60 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 87 L 8.28 3.95 0.00 1.76 1.35 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.82 3.79 2.12 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 1.53 0.52 0.94 0.00 0.00 89 G 8.32 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.32 4.22 0.00 2.14 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 0.00 2.32 2.44 0.00 91 T 8.56 3.93 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 1.26 0.00 0.00 92 N 7.99 4.63 0.00 2.82 2.71 0.00 0.00 7.09 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.47 0.00 2.13 2.37 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 94 L 7.96 4.10 0.00 1.58 1.69 0.92 0.94 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 95 T 7.52 4.24 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 1.21 0.00 0.00 96 S 7.78 4.29 0.00 3.96 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 97 N 8.52 4.52 0.00 2.77 2.69 0.00 0.00 7.17 7.05 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 98 T 8.08 3.91 4.18 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 1.23 0.00 0.00 99 G 8.83 4.11 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 0.00 0.00 0.00 100 T 7.45 4.30 4.38 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 1.27 0.00 0.00 101 I 8.36 3.94 1.99 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 1.77 1.07 1.09 0.00 0.00 102 R 8.42 4.19 0.00 1.98 2.01 0.00 3.36 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 103 G 8.04 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 0.00 0.00 0.00 104 D 7.61 4.43 0.00 1.85 1.65 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 0.00 105 F 8.05 4.99 0.00 3.14 2.99 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 0.00 106 C 7.93 5.05 0.00 3.12 2.84 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 0.00 107 L 8.57 4.61 0.00 1.59 1.66 0.93 0.85 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 0.00 108 E 7.72 4.81 0.00 1.94 1.81 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 2.28 2.19 0.00 109 V 8.38 3.76 2.35 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 0.80 0.00 0.00 0.97 0.00 0.00 110 S 8.08 4.24 0.00 3.85 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 0.00 111 K 7.62 4.51 0.00 1.70 1.83 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.63 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.17 1.29 7.81 112 N 8.08 4.93 0.00 2.91 3.01 0.00 0.00 6.18 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.76 3.16 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 0.80 0.00 0.00 0.95 0.00 0.00 114 I 8.73 5.15 1.88 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 1.09 0.89 1.00 0.00 0.00 115 H 9.47 5.08 0.00 3.30 3.04 0.00 5.77 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 0.00 116 G 8.18 4.38 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 0.00 117 S 8.19 4.55 0.00 3.89 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 0.00 118 D 8.90 4.54 0.00 2.83 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 0.00 119 S 7.67 4.68 0.00 4.01 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 0.00 120 V 8.44 3.58 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 1.02 0.00 0.00 0.98 0.00 0.00 121 A 7.95 4.03 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 0.00 122 S 8.11 4.18 0.00 4.01 3.97 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 0.00 123 A 8.22 4.08 1.46 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 0.00 0.00 124 N 8.22 4.47 0.00 2.79 2.91 0.00 0.00 7.13 7.56 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 0.00 125 K 7.83 4.03 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 126 E 8.31 3.99 0.00 2.32 1.70 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 2.44 2.40 0.00 127 I 8.21 3.80 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 1.00 0.00 0.00 128 N 7.66 4.39 0.00 2.96 2.88 0.00 0.00 7.14 7.33 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 0.00 129 I 7.42 3.80 1.68 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 1.64 -0.17 0.91 0.00 0.00 130 W 7.77 4.02 0.00 2.98 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 0.00 131 F 7.93 5.13 0.00 3.17 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 0.00 132 K 9.75 4.44 0.00 1.95 1.91 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.53 7.81 133 A 8.67 4.06 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 0.00 134 E 8.23 4.03 0.00 2.11 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 0.00 2.31 2.31 0.00 135 E 8.04 4.07 0.00 2.32 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 0.00 2.45 2.53 0.00 136 L 7.53 4.24 0.00 1.52 1.60 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.80 4.45 4.30 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 1.19 0.00 0.00 138 Q 8.72 4.72 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 139 W 8.35 5.21 0.00 3.49 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.71 3.98 0.00 1.81 1.86 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.39 7.81 141 H 8.38 4.52 0.00 2.60 2.99 0.00 5.75 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 9.18 4.25 0.00 3.23 3.47 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 M 7.95 4.37 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.66 0.00 144 K 7.65 3.80 0.00 1.86 1.73 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.50 7.81 145 E 8.11 3.75 0.00 1.66 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 2.14 2.28 0.00 146 W 7.98 4.74 0.00 3.36 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 0.00 147 I 7.58 4.38 1.88 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 1.44 0.68 0.87 0.00 0.00 148 C 7.83 4.99 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.64 4.24 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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