NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0848 8.0549 120.3903 62.4212 32.7032 175.1415 2 L 3.9720 8.2335 127.0728 52.5098 42.2395 176.0414 3 S 4.5219 9.6650 119.3059 57.7579 66.2179 175.0947 4 E 4.2706 8.8249 121.6153 59.6729 29.2420 179.9113 5 G 3.6216 8.0789 105.2549 47.7644 0.0000 175.5090 6 E 3.9179 8.2871 120.9247 59.0348 29.3981 179.4605 7 W 4.3817 8.3157 119.2610 59.7417 29.0531 178.2895 8 Q 4.0904 8.5559 119.7533 59.2859 28.3665 178.4493 9 L 4.0692 7.9593 119.8093 57.6938 41.6614 179.6491 10 V 3.7543 8.0225 118.1252 66.2855 31.6270 178.1252 11 L 4.3414 8.5812 118.5778 57.3807 41.2565 178.9731 12 H 4.2130 8.3511 118.4383 59.2550 30.2708 177.3773 13 V 3.7445 7.8383 121.0631 64.4514 31.3519 178.1332 14 W 3.8268 8.5758 128.8671 60.0928 30.2917 177.8190 15 A 4.0312 8.0367 120.0028 54.8595 18.0858 179.4589 16 K 3.9109 7.6724 117.1588 59.2844 31.9362 179.6949 17 V 2.8933 6.9334 118.0748 65.6775 31.1859 177.4311 18 E 3.9081 7.4171 115.3307 57.8293 29.2975 178.3369 19 A 4.1911 7.4892 120.1776 53.5961 20.2543 177.6281 20 D 4.6546 8.0705 116.6494 52.0265 42.7785 175.4737 21 V 3.5315 7.8917 123.9366 66.0244 32.0799 176.8046 22 A 4.0492 7.9797 119.9903 55.1026 18.2840 179.6956 23 G 3.7547 8.3239 105.6051 45.4448 0.0000 175.7148 24 H 4.1582 8.2569 118.6561 58.5912 28.6268 178.1372 25 G 3.5571 8.2726 107.7668 47.6881 0.0000 175.8327 26 Q 3.8528 8.1208 120.2055 58.9367 28.8145 178.4736 27 D 4.2846 7.9015 119.7948 57.4108 40.7636 179.1350 28 I 3.6556 7.8760 120.3362 64.4215 37.0912 178.5648 29 L 3.4185 7.8521 119.9671 57.5323 41.2172 179.7045 30 I 3.6035 7.7249 120.0354 64.1580 36.9246 178.4197 31 R 3.7663 7.9060 119.5637 59.1637 29.9091 178.0757 32 L 3.9454 7.8632 120.2554 58.5366 41.5493 179.1601 33 F 4.5791 8.1170 117.8127 60.4585 38.5590 178.0148 34 K 4.0349 8.1629 117.6725 59.6141 32.0438 179.4248 35 S 4.2854 8.1782 114.3680 60.2948 64.0999 174.6180 36 H 4.7035 8.0847 118.4019 52.1996 29.5231 171.9499 37 P 4.4839 0.0000 0.0000 64.3465 31.4411 177.4610 38 E 4.0463 8.2616 116.6222 59.5882 29.3639 179.2214 39 T 4.0212 8.2125 111.2051 64.6026 68.8893 176.3954 40 L 3.5488 7.8917 123.4123 57.7480 41.8236 178.5424 41 E 4.0403 7.6943 117.6512 58.7099 29.6314 178.3433 42 K 4.4223 8.0852 116.7622 57.0033 32.6471 177.3314 43 F 4.5810 8.2264 119.3192 55.4394 39.5828 175.4496 44 D 4.4290 8.6317 124.5362 57.4076 40.9643 179.0352 45 R 3.8538 7.7938 116.6966 58.1803 30.1368 177.1488 46 F 5.0471 7.8575 114.3209 56.9564 40.8484 176.9390 47 K 4.0889 8.1042 119.0104 58.7133 32.5685 177.6945 48 H 4.3516 8.1057 114.7670 57.6693 28.8537 175.5348 49 L 4.2697 7.7489 121.7574 54.5238 41.6758 176.7552 50 K 4.5480 9.5452 122.4039 55.9865 34.4480 176.5977 51 T 4.7495 7.5196 108.4644 58.8071 73.1500 174.1431 52 E 3.9051 8.6821 121.8122 59.4672 29.7363 178.8930 53 A 3.9773 7.9598 120.3126 55.2030 18.2538 179.2955 54 E 3.9342 8.1678 116.2486 59.7238 29.9467 179.1141 55 M 4.1839 8.1349 118.6877 58.5229 31.8715 179.0962 56 K 4.0284 8.2254 117.0520 58.7053 32.2732 178.3740 57 A 4.4970 7.5884 118.7765 51.4460 19.2249 176.8925 58 S 4.4248 7.4861 113.6183 56.9251 62.6862 174.4136 59 E 3.9967 8.8322 129.4894 59.2523 29.4395 177.9505 60 D 4.4228 8.1707 117.8688 57.2145 41.2979 177.8034 61 L 3.3575 8.1097 120.8975 57.7890 42.0769 178.7737 62 K 3.8343 7.9442 119.4605 59.4522 32.0934 178.8195 63 K 3.9750 8.3802 118.9523 59.8622 31.9417 178.7996 64 H 4.3916 8.6398 118.6305 59.2464 29.7919 177.4639 65 G 3.5441 8.3903 107.8748 47.6621 0.0000 175.8331 66 V 3.6093 7.7802 120.3282 66.0953 31.5555 178.1111 67 T 3.8886 7.8713 115.5034 66.7011 68.2829 176.6411 68 V 3.5946 7.9232 120.0233 66.2363 31.5790 178.1820 69 L 4.2276 8.1645 118.6070 57.8385 41.4137 179.6595 70 T 3.9593 8.3961 116.1529 66.5170 68.4047 176.4887 71 A 3.9882 8.0278 122.6694 55.1164 18.3802 179.4299 72 L 3.7841 8.2030 119.1268 58.1314 42.1306 179.3730 73 G 3.2352 8.4964 105.8455 47.6306 0.0000 175.4698 74 A 4.0101 7.7342 122.1819 54.8206 18.6424 179.6085 75 I 3.7886 7.6351 118.2123 64.5975 37.2370 178.5604 76 L 3.9593 7.8614 120.1029 57.8061 41.2258 179.6023 77 K 4.0095 7.7398 116.3004 58.1788 32.2391 178.6949 78 K 3.9573 7.8843 118.5124 56.0045 32.6692 176.5076 79 K 2.0000 8.2669 118.4025 56.3734 29.8015 175.2639 80 G 3.9902 7.8551 105.9333 45.8424 0.0000 173.6879 81 H 4.7344 7.7851 118.2427 54.8481 27.7974 175.0236 82 H 5.6207 7.2750 110.0170 54.6310 29.2623 176.6452 83 E 3.9832 8.5506 121.8862 60.4004 29.0018 178.8985 84 A 4.0492 7.8970 118.8711 55.1720 18.0010 179.0887 85 E 4.0968 8.1325 116.7349 59.3848 29.6714 179.1644 86 L 4.1737 8.1492 118.8294 56.7461 41.6848 178.9975 87 K 3.8288 7.7393 120.6160 59.2509 32.0766 176.9588 88 P 4.4619 0.0000 0.0000 65.5830 31.2326 178.1072 89 L 3.9866 7.4733 116.6982 58.0337 42.0143 178.8012 90 A 4.1451 8.5657 121.0553 55.2289 18.2616 179.6116 91 Q 3.9361 8.2502 116.7860 59.1426 28.8544 179.2578 92 S 3.9875 8.2484 115.3027 61.8856 63.0849 176.2753 93 H 4.3084 8.7222 119.9636 58.0205 28.1839 177.8202 94 A 2.6233 8.0858 122.6253 54.6948 18.3480 179.0805 95 T 3.9284 7.4950 105.8316 62.1711 69.6513 175.3861 96 K 4.1609 7.4682 120.3397 58.1858 33.3980 176.7681 97 H 4.3184 8.1399 113.8073 55.8681 29.5544 175.3318 98 K 3.3651 7.4989 117.4504 57.1755 28.7440 175.6868 99 I 4.2272 7.9697 118.6748 58.7635 38.6519 175.1156 100 P 4.4666 0.0000 0.0000 62.1779 32.0980 177.4694 101 I 3.6566 8.6755 121.9723 64.7830 36.9191 178.4126 102 K 3.6733 8.0200 119.6517 59.8308 31.9030 178.2220 103 Y 4.0935 8.0961 116.7740 60.7113 37.7596 178.1912 104 L 4.1976 7.9127 119.8864 57.5603 41.7440 178.7982 105 E 3.9799 8.0399 119.4744 59.2873 29.5534 178.9124 106 F 4.4811 7.8521 117.7782 60.8077 38.9160 177.5677 107 I 3.8478 8.1872 118.2214 64.0614 37.7505 178.0572 108 S 4.1684 8.3264 116.2936 61.5794 62.6201 176.2217 109 E 4.0200 8.5627 121.8010 59.2574 29.3605 178.7748 110 A 4.0191 8.1207 120.9033 55.0173 18.3415 179.5588 111 I 3.6707 8.1605 118.7196 64.7556 37.2868 178.6488 112 I 3.8224 7.9491 120.4494 64.6669 36.9776 177.9751 113 H 4.1112 8.5037 119.1106 59.3936 29.6667 177.5390 114 V 3.6058 8.0152 120.0470 65.9077 31.3051 177.9526 115 L 3.7472 8.0333 119.0567 57.8225 41.0687 178.9876 116 H 4.3663 7.9713 117.3226 59.4442 29.9246 177.2501 117 S 4.1897 7.8617 115.8848 61.5840 62.7396 176.4490 118 R 4.0535 7.8567 119.4906 57.7491 31.0379 176.4926 119 H 5.0385 8.2058 115.8356 54.0074 29.9499 173.1830 120 P 4.2870 0.0000 0.0000 65.8954 31.5605 179.1007 121 G 3.7346 8.1523 106.2763 47.4097 0.0000 173.5529 122 D 5.0901 8.1539 118.4032 53.9305 41.4785 176.3886 123 F 4.9402 8.0515 121.2473 56.1969 39.6992 174.9983 124 G 3.8703 8.0222 107.2858 43.8743 0.0000 172.9726 125 A 3.9223 8.4335 120.9014 55.0011 18.2459 179.4732 126 D 4.1919 7.9854 116.9099 56.7673 39.3860 178.6831 127 A 3.9588 7.7703 122.1204 54.4972 18.3263 179.4089 128 Q 3.1695 7.9136 117.1423 58.7603 28.7322 179.2857 129 G 3.5013 8.2244 106.8072 47.6940 0.0000 175.6006 130 A 3.8713 7.9741 123.2619 55.0524 18.3206 179.4338 131 M 4.0144 8.4007 117.1430 58.6581 32.2675 177.8560 132 N 4.3002 8.4573 117.5338 56.7424 39.0624 176.9779 133 K 4.1636 8.3962 120.9047 58.8510 32.1092 179.2239 134 A 3.8459 8.0237 121.1153 55.1503 18.2910 179.7157 135 L 4.0943 8.2752 117.6438 57.5770 41.7209 179.4837 136 E 3.9933 8.5974 119.2923 59.3110 29.3871 179.0216 137 L 4.0781 8.1653 120.4551 58.0143 42.0720 178.5241 138 F 4.0818 8.3538 120.5762 61.6354 39.2837 177.3933 139 R 3.6311 8.2638 117.4036 58.8825 29.8448 178.8219 140 K 3.7914 8.4211 119.8194 59.8787 32.0267 178.5973 141 D 4.3364 8.1926 118.9829 57.1681 40.6417 178.8337 142 I 3.4141 7.6349 120.3691 64.1939 36.9539 178.2487 143 A 3.7030 8.1089 121.7262 55.0351 18.1085 179.5603 144 A 3.9321 7.9141 119.2882 55.1657 18.4152 180.0916 145 K 3.9832 7.8137 117.1131 59.7242 32.0918 179.0275 146 Y 4.3228 8.4622 117.5049 61.1585 37.8295 178.8294 147 K 3.9398 8.4023 120.4649 59.4424 32.1107 178.1142 148 E 3.9327 7.9216 118.3694 59.5432 29.6411 178.4158 149 L 4.3211 7.7087 115.4736 55.0424 41.8712 177.7739 150 G 3.8790 7.9493 107.2518 45.8028 0.0000 173.1509 151 Y 4.1257 8.0058 126.0683 57.2283 38.7866 175.2935 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 4.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 2 L 8.23 3.97 0.00 0.64 0.62 0.53 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.66 4.52 0.00 4.04 3.98 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 4 E 8.82 4.27 0.00 2.07 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 2.50 2.39 0.00 5 G 8.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.29 3.92 0.00 1.92 1.73 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 2.21 2.26 0.00 7 W 8.32 4.38 0.00 3.52 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.56 4.09 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 9 L 7.96 4.07 0.00 1.95 1.75 0.94 0.80 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 10 V 8.02 3.75 2.48 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 1.24 0.00 0.00 0.91 0.00 0.00 11 L 8.58 4.34 0.00 1.85 1.82 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.35 4.21 0.00 3.31 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.74 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 0.99 0.00 0.00 0.84 0.00 0.00 14 W 8.58 3.83 0.00 3.68 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.04 4.03 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 16 K 7.67 3.91 0.00 1.45 1.52 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.42 7.81 17 V 6.93 2.89 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 0.00 0.00 0.03 0.00 0.00 0.29 0.00 0.00 18 E 7.42 3.91 0.00 1.85 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 2.27 2.06 0.00 19 A 7.49 4.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.07 4.65 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.53 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.89 0.00 0.00 22 A 7.98 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.32 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 24 H 8.26 4.16 0.00 3.27 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.27 3.56 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 0.00 0.00 0.00 26 Q 8.12 3.85 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 27 D 7.90 4.28 0.00 2.74 2.64 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 0.00 0.00 0.00 0.00 28 I 7.88 3.66 1.87 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 1.51 0.66 0.88 0.00 0.00 29 L 7.85 3.42 0.00 1.27 0.78 0.70 0.74 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 30 I 7.72 3.60 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.87 0.00 0.00 31 R 7.91 3.77 0.00 1.91 2.09 0.00 3.05 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 L 7.86 3.95 0.00 1.77 1.50 1.10 1.31 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 33 F 8.12 4.58 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.16 4.03 0.00 1.74 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.18 4.29 0.00 3.74 3.56 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 36 H 8.08 4.70 0.00 3.04 2.81 0.00 5.62 0.00 0.00 0.00 0.00 6.86 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 4.48 0.00 2.14 2.10 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.26 4.05 0.00 2.27 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 1.96 2.30 0.00 39 T 8.21 4.02 4.59 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 1.10 0.00 0.00 40 L 7.89 3.55 0.00 1.36 1.78 0.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.69 4.04 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 42 K 8.09 4.42 0.00 1.90 1.68 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.94 7.81 43 F 8.23 4.58 0.00 3.29 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 44 D 8.63 4.43 0.00 2.61 2.71 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 45 R 7.79 3.85 0.00 0.67 0.66 0.00 3.02 0.00 0.00 2.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 46 F 7.86 5.05 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.10 4.09 0.00 1.86 2.23 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 48 H 8.11 4.35 0.00 3.30 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.75 4.27 0.00 1.62 1.60 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.55 4.55 0.00 1.73 1.80 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 51 T 7.52 4.75 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 52 E 8.68 3.91 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 53 A 7.96 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.17 3.93 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 55 M 8.13 4.18 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 56 K 8.23 4.03 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.59 4.50 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.49 4.42 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.83 4.00 0.00 2.14 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 2.40 2.46 0.00 60 D 8.17 4.42 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 61 L 8.11 3.36 0.00 1.32 1.60 -0.14 0.55 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 7.94 3.83 0.00 1.87 1.97 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.38 3.97 0.00 2.09 1.93 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.60 7.81 64 H 8.64 4.39 0.00 3.59 3.52 0.00 5.79 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 8.39 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 66 V 7.78 3.61 2.26 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 7.87 3.89 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 V 7.92 3.59 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 1.17 0.00 0.00 0.98 0.00 0.00 69 L 8.16 4.23 0.00 1.81 1.92 0.94 0.79 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 70 T 8.40 3.96 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 1.26 0.00 0.00 71 A 8.03 3.99 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 8.20 3.78 0.00 1.59 1.71 0.22 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 74 A 7.73 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.64 3.79 1.95 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 1.56 0.63 0.99 0.00 0.00 76 L 7.86 3.96 0.00 1.19 1.58 -0.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 4.01 0.00 1.66 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.88 3.96 0.00 1.84 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.63 1.77 7.81 79 K 8.27 2.00 0.00 1.22 0.74 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.31 0.71 7.81 80 G 7.86 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 81 H 7.79 4.73 0.00 3.16 3.23 0.00 5.57 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 82 H 7.28 5.62 0.00 3.27 3.46 0.00 5.65 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 83 E 8.55 3.98 0.00 2.09 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 2.41 2.46 0.00 84 A 7.90 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.13 4.10 0.00 2.23 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 2.41 2.47 0.00 86 L 8.15 4.17 0.00 1.67 1.62 0.71 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.74 3.83 0.00 1.79 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 88 P 0.00 4.46 0.00 2.33 2.31 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 89 L 7.47 3.99 0.00 1.85 1.86 0.97 1.11 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 90 A 8.57 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.25 3.94 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 92 S 8.25 3.99 0.00 3.89 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 93 H 8.72 4.31 0.00 3.54 3.61 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 8.09 2.62 0.69 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 95 T 7.49 3.93 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 1.09 0.00 0.00 96 K 7.47 4.16 0.00 1.53 1.60 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.33 7.81 97 H 8.14 4.32 0.00 2.97 3.12 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.50 3.37 0.00 1.80 1.78 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 1.29 7.81 99 I 7.97 4.23 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 1.31 0.95 1.11 0.00 0.00 100 P 0.00 4.47 0.00 1.82 1.75 0.00 2.20 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.84 0.00 101 I 8.68 3.66 1.83 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 0.81 0.00 0.00 102 K 8.02 3.67 0.00 1.77 1.76 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 0.65 7.81 103 Y 8.10 4.09 0.00 3.18 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 0.00 104 L 7.91 4.20 0.00 1.87 1.87 0.72 1.04 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 0.00 105 E 8.04 3.98 0.00 1.99 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 2.37 2.38 0.00 106 F 7.85 4.48 0.00 3.24 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 0.00 107 I 8.19 3.85 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 1.09 0.00 0.00 108 S 8.33 4.17 0.00 4.19 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 0.00 109 E 8.56 4.02 0.00 2.13 2.26 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 2.39 2.58 0.00 110 A 8.12 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.16 3.67 2.08 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 1.60 0.78 1.04 0.00 0.00 112 I 7.95 3.82 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.16 1.15 0.00 0.00 113 H 8.50 4.11 0.00 3.31 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.02 3.61 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 0.96 0.00 0.00 0.96 0.00 0.00 115 L 8.03 3.75 0.00 1.19 0.43 0.91 1.09 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 0.00 116 H 7.97 4.37 0.00 3.55 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.19 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.86 4.05 0.00 1.52 1.43 0.00 2.66 0.00 0.00 2.69 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 119 H 8.21 5.04 0.00 3.17 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.74 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 4.29 0.00 2.19 2.22 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.15 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 0.00 122 D 8.15 5.09 0.00 2.75 2.80 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 0.00 123 F 8.05 4.94 0.00 3.01 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 0.00 124 G 8.02 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 0.00 125 A 8.43 3.92 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 0.00 126 D 7.99 4.19 0.00 2.83 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 0.00 127 A 7.77 3.96 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 0.00 128 Q 7.91 3.17 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 129 G 8.22 3.50 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 0.00 0.00 0.00 130 A 7.97 3.87 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 0.00 131 M 8.40 4.01 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 132 N 8.46 4.30 0.00 2.91 2.91 0.00 0.00 7.21 7.61 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 0.00 133 K 8.40 4.16 0.00 1.84 1.67 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.40 7.81 134 A 8.02 3.85 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 0.00 135 L 8.28 4.09 0.00 1.73 1.77 0.96 0.93 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 0.00 136 E 8.60 3.99 0.00 2.19 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 2.50 0.00 137 L 8.17 4.08 0.00 1.87 1.98 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.08 0.00 3.22 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 0.00 139 R 8.26 3.63 0.00 2.06 1.90 0.00 3.19 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 140 K 8.42 3.79 0.00 1.81 1.99 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.19 4.34 0.00 2.67 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 0.00 142 I 7.63 3.41 1.29 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.00 0.09 0.00 0.00 143 A 8.11 3.70 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 0.00 144 A 7.91 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.81 3.98 0.00 1.95 1.94 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.61 7.81 146 Y 8.46 4.32 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.40 3.94 0.00 1.93 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.92 3.93 0.00 2.04 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 0.00 2.35 2.39 0.00 149 L 7.71 4.32 0.00 1.86 1.68 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.95 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 0.00 0.00 0.00 151 Y 8.01 4.13 0.00 2.67 2.52 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