NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.6983 8.4293 120.3880 55.9392 31.0005 172.3025 13 Q 4.1159 8.1153 123.8594 53.1357 30.7840 173.5858 14 A 4.1427 8.3456 126.2932 51.7244 19.9447 178.0925 15 I 3.7641 7.9915 115.1191 61.2593 38.2293 175.6463 16 S 4.6858 8.2177 115.4748 56.4514 64.6906 173.3069 17 P 4.2799 0.0000 0.0000 66.0156 30.4735 179.2657 18 R 3.9106 7.8976 116.2533 59.7043 30.2247 179.0082 19 T 3.9260 7.8584 115.4245 66.4311 68.3235 176.8501 20 L 4.0496 7.8675 120.4479 57.9119 41.8064 178.4466 21 N 4.1604 8.4328 117.0999 57.0220 38.7219 176.5031 22 A 4.0035 7.6959 121.1416 54.9254 18.5289 179.4639 23 W 4.2937 8.1792 126.7359 60.5593 30.8676 178.0653 24 V 3.3562 8.4704 118.6183 66.1872 30.9523 178.1548 25 K 3.8835 8.2953 118.2263 59.2416 31.8596 179.3862 26 V 3.4208 7.9967 118.9016 66.1889 31.3306 178.3956 27 V 2.9713 7.0844 117.7104 65.4517 30.9470 177.6252 28 E 3.7748 7.6764 118.5295 59.5301 29.5307 177.7879 29 E 4.0402 7.7793 118.7094 58.6621 30.1074 177.7969 30 K 4.0411 8.3510 116.0426 54.7160 32.4406 178.7764 31 A 3.2288 7.7910 124.0728 53.3534 18.8587 179.5019 32 F 5.0194 8.3724 115.3852 58.5791 39.5494 174.2103 33 S 4.7355 8.1399 116.6117 56.6842 64.9337 173.9590 34 P 4.3346 0.0000 0.0000 66.1489 30.6610 178.6441 35 E 4.1276 7.9146 116.3941 59.0617 29.1948 179.4453 36 V 3.7846 7.8503 112.7223 64.3374 31.5145 178.6855 37 I 3.8847 7.9216 119.6554 64.1133 37.1130 176.6005 38 P 4.3510 0.0000 0.0000 65.7522 31.1371 178.5485 39 M 4.1251 7.9504 117.4637 58.5056 32.0576 178.5005 40 F 3.8354 8.7254 120.8948 61.4040 39.2722 177.3395 41 S 4.0277 8.3586 114.9086 60.7761 62.3491 176.2603 42 A 4.0687 7.9864 123.4980 55.2224 17.9998 179.7108 43 L 4.0429 7.6641 115.9376 56.6405 41.7537 178.6950 44 S 4.4006 7.1125 113.1905 56.7069 63.0213 173.3984 45 E 3.7369 7.1099 122.1193 58.0851 29.3354 177.1330 46 G 3.8084 8.8695 111.0403 46.0058 0.0000 173.3191 47 A 4.1097 7.6961 122.8971 51.7328 19.0697 178.3901 48 T 4.2394 8.2084 111.9407 60.3320 71.4319 174.2431 49 P 4.4316 0.0000 0.0000 66.2419 31.2396 178.5407 50 Q 4.0297 8.4683 117.9453 59.3162 28.9322 178.2050 51 D 4.8670 8.0418 121.1316 56.9735 40.9191 178.5104 52 L 3.9148 8.1231 119.6266 58.2117 41.5742 179.5263 53 N 4.5527 8.5506 116.3816 56.1925 38.4819 177.6888 54 T 3.9437 8.1933 111.7508 64.9637 68.6275 176.4508 55 M 4.1176 8.1626 121.6128 58.3197 32.0705 178.8129 56 L 4.2584 8.0841 118.8963 57.9249 41.5874 179.1742 57 N 4.5943 8.5518 115.4607 55.7383 38.5419 176.8662 58 T 4.2131 7.6492 114.0755 63.2655 67.5491 174.6454 59 V 3.6136 7.4743 120.9690 62.9517 31.7723 175.2582 60 G 4.1092 8.5615 116.1430 44.6657 0.0000 175.0940 61 G 3.7271 8.4133 108.8414 46.7598 0.0000 173.0653 62 H 4.0444 8.5754 110.9871 55.9259 26.9528 176.4697 63 Q 3.9731 8.3640 120.9089 59.6101 28.8500 177.1292 64 A 4.0229 8.0348 120.7883 55.1730 18.5691 179.3510 65 A 4.0109 7.9560 118.8502 55.4525 18.5418 179.6359 66 M 4.0733 8.3115 117.3651 58.3585 31.9803 178.6666 67 Q 4.0525 8.1216 119.9621 59.0870 29.3219 177.8719 68 M 4.0780 7.9982 120.0629 58.0669 31.8578 178.4452 69 L 3.9126 8.0013 120.4951 58.0328 42.3068 178.9932 70 K 3.9544 8.1106 118.4106 59.7472 31.9904 178.9963 71 E 4.0086 8.2681 118.5576 59.8476 29.3419 179.6993 72 T 3.8592 7.8796 115.4101 66.5616 68.4658 176.8895 73 I 3.8648 8.1716 122.1456 64.5475 37.1668 178.2507 74 N 4.2948 8.6339 117.6964 56.2612 38.3584 177.3899 75 E 3.8551 8.2749 120.0231 59.5197 29.5270 179.3130 76 E 3.5519 8.2933 118.7390 59.0170 29.2755 179.3365 77 A 3.2821 7.4688 120.6941 54.7128 18.3860 179.5656 78 A 3.9807 7.8239 119.4168 54.9042 18.4212 179.5293 79 E 3.8041 7.9047 118.0982 59.0545 29.4980 178.7480 80 W 4.1540 8.1552 127.5936 60.7723 31.1135 177.2049 81 D 4.6164 8.3531 118.7844 57.4775 40.0045 178.9105 82 R 3.8479 7.7060 118.2688 59.1492 30.2535 177.8253 83 L 4.3539 7.6025 115.3672 54.6556 42.8415 177.0763 84 H 4.5268 7.3449 116.0936 52.5289 29.3137 170.4550 85 P 4.3107 0.0000 0.0000 61.6336 32.0709 176.8376 86 V 3.5380 8.4233 121.7574 63.4113 31.7935 175.6914 87 A 4.3525 8.3196 129.0085 51.5173 19.2986 176.9831 88 M 4.1279 8.3892 119.4181 55.3938 32.5789 176.6777 89 A 4.5478 8.2585 125.8835 50.1970 20.5198 175.0647 90 P 4.5558 0.0000 0.0000 61.8920 32.3991 176.5996 91 I 3.7550 8.2116 121.4481 61.4030 37.9420 176.0050 92 A 4.2241 8.4173 126.9865 50.9757 19.0904 175.1778 93 P 4.3513 0.0000 0.0000 64.4844 32.0208 175.5421 94 G 4.3686 8.9938 112.2525 45.8464 0.0000 174.4843 95 Q 4.2005 7.5899 117.2371 55.7259 29.3091 175.1939 96 M 4.5444 8.3327 120.9098 53.3943 33.8591 176.1071 97 R 4.2276 8.4783 121.6512 56.2010 30.2314 176.0158 98 E 4.2512 8.5527 119.0737 55.1992 30.2902 175.2569 99 P 4.0365 0.0000 0.0000 62.5377 32.1022 177.1045 100 R 4.6861 9.1410 121.4563 54.8498 32.7014 178.1355 101 G 3.7782 9.6943 106.6297 48.6135 0.0000 176.2875 102 S 4.2243 8.0699 117.1863 60.8850 62.9234 176.4947 103 D 4.3750 7.8124 121.5939 57.3982 40.4955 178.5411 104 I 3.3511 7.3049 118.9204 63.7716 37.0624 177.5203 105 A 2.5800 7.4388 118.8657 51.4886 18.7054 178.2682 106 G 3.9083 7.5262 105.7989 45.3011 0.0000 175.0745 107 T 4.0796 7.7163 109.8553 63.9229 69.2008 175.5918 108 T 4.5913 7.7935 109.4235 60.6987 68.9905 173.5368 109 S 4.8958 7.8434 115.0554 56.6413 66.3026 173.8976 110 T 4.3575 8.5461 112.8808 60.5552 71.4399 175.7369 111 L 3.9274 8.1056 121.7498 58.1807 42.1251 178.5335 112 Q 3.8706 7.8526 116.9679 58.8708 28.6009 178.1300 113 E 3.2285 8.0850 121.1207 58.9951 29.3515 179.1461 114 Q 4.2515 7.6286 117.4715 59.0643 28.7448 178.7820 115 I 3.7615 7.8709 121.0329 64.4386 37.1639 178.4809 116 G 3.6311 8.2756 106.6087 47.8245 0.0000 175.6548 117 W 4.3880 8.0432 121.4732 59.8087 28.8551 178.6318 118 M 4.4145 8.3358 117.8953 57.3038 31.7318 177.3234 119 T 4.5027 7.9059 107.8947 61.4360 69.3377 174.0630 120 H 4.4679 8.2412 122.6447 55.7851 31.3957 173.8306 121 N 4.8631 8.3721 116.7920 50.9266 39.9703 172.8261 122 P 4.6333 0.0000 0.0000 60.9874 33.0225 174.5216 123 P 4.6473 0.0000 0.0000 63.0312 32.0800 175.7235 124 I 4.3446 8.6125 122.2440 59.4800 38.0816 175.3556 125 P 4.6348 0.0000 0.0000 61.6168 29.2366 176.4753 126 V 3.4464 7.7958 119.9950 64.7415 31.8322 177.9313 127 G 3.6553 7.8632 106.6743 47.3682 0.0000 175.5380 128 E 3.9193 8.0175 120.6997 58.8384 29.5058 179.5256 129 I 3.4275 7.4150 119.9544 64.3247 37.1142 177.6709 130 Y 3.2879 7.3024 120.1998 60.4494 38.4848 177.9535 131 K 3.7659 8.0510 120.4868 59.6705 32.1470 178.9377 132 R 3.9532 7.6854 118.0869 58.8743 29.9481 178.8486 133 W 4.5118 7.8172 118.6734 59.9993 29.1074 178.5085 134 I 3.6001 7.9206 119.6857 64.5477 36.4275 178.5336 135 I 3.7168 8.0167 120.7708 64.3551 36.9767 178.5381 136 L 4.1241 8.2167 120.0365 57.6596 41.4632 179.7930 137 G 3.5837 8.2678 105.8467 47.7983 0.0000 175.7545 138 L 3.9597 8.4226 121.8451 57.5698 41.6159 179.2789 139 N 4.3282 8.5169 116.7895 56.1134 38.3233 177.2999 140 K 3.9238 7.9033 120.7619 59.5424 32.3227 178.9653 141 I 3.7069 7.7055 119.9839 64.4532 36.9249 178.5670 142 V 4.0280 8.3740 120.9930 65.5073 31.1122 178.2356 143 R 3.9479 7.9891 114.8705 59.0703 29.3871 178.3166 144 M 4.0144 7.5703 118.3161 58.5904 32.3761 177.2463 145 Y 4.2475 8.0553 115.2519 58.9946 38.4619 175.7486 146 S 4.3546 8.3610 118.9098 58.3345 63.2912 173.6151 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 12 H 8.43 4.70 0.00 3.08 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.12 4.12 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 14 A 8.35 4.14 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 15 I 7.99 3.76 1.84 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 1.51 0.63 0.85 0.00 0.00 16 S 8.22 4.69 0.00 4.06 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 17 P 0.00 4.28 0.00 2.18 2.18 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 18 R 7.90 3.91 0.00 1.82 1.98 0.00 3.29 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 1.72 1.66 0.00 19 T 7.86 3.93 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 1.20 0.00 0.00 20 L 7.87 4.05 0.00 1.91 1.80 0.97 0.62 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 21 N 8.43 4.16 0.00 2.75 3.15 0.00 0.00 7.20 9.26 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 22 A 7.70 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.18 4.29 0.00 3.44 3.30 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 24 V 8.47 3.36 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 0.92 0.00 0.00 0.97 0.00 0.00 25 K 8.30 3.88 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.57 7.81 26 V 8.00 3.42 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 0.90 0.00 0.00 1.06 0.00 0.00 27 V 7.08 2.97 1.47 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 0.16 0.00 0.00 -0.53 0.00 0.00 28 E 7.68 3.77 0.00 1.89 1.84 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 2.24 2.23 0.00 29 E 7.78 4.04 0.00 1.94 1.94 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 2.26 2.32 0.00 30 K 8.35 4.04 0.00 1.90 1.73 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 31 A 7.79 3.23 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.37 5.02 0.00 2.97 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 33 S 8.14 4.74 0.00 4.11 4.07 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 34 P 0.00 4.33 0.00 2.21 2.22 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 35 E 7.91 4.13 0.00 2.21 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 2.34 2.42 0.00 36 V 7.85 3.78 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 0.82 0.00 0.00 1.22 0.00 0.00 37 I 7.92 3.88 1.96 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 1.62 1.15 0.99 0.00 0.00 38 P 0.00 4.35 0.00 2.21 2.14 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 39 M 7.95 4.13 0.00 2.25 2.55 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.86 0.00 40 F 8.73 3.84 0.00 3.06 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 41 S 8.36 4.03 0.00 4.07 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 42 A 7.99 4.07 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 43 L 7.66 4.04 0.00 1.42 1.66 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.11 4.40 0.00 3.52 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 45 E 7.11 3.74 0.00 2.05 1.88 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 2.28 2.34 0.00 46 G 8.87 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 0.00 0.00 0.00 47 A 7.70 4.11 1.19 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 0.00 0.00 48 T 8.21 4.24 4.48 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 0.00 0.00 0.00 1.23 0.00 0.00 49 P 0.00 4.43 0.00 2.31 2.28 0.00 3.86 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 2.18 0.00 50 Q 8.47 4.03 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 51 D 8.04 4.87 0.00 2.91 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 52 L 8.12 3.91 0.00 1.91 1.55 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.55 4.55 0.00 2.98 2.95 0.00 0.00 6.79 6.54 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 54 T 8.19 3.94 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 1.30 0.00 0.00 55 M 8.16 4.12 0.00 1.70 2.22 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 56 L 8.08 4.26 0.00 1.79 1.82 0.87 0.46 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 57 N 8.55 4.59 0.00 2.86 2.94 0.00 0.00 7.00 7.08 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 58 T 7.65 4.21 4.66 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 1.52 0.00 0.00 59 V 7.47 3.61 2.37 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 0.91 0.00 0.00 1.07 0.00 0.00 60 G 8.56 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 61 G 8.41 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 62 H 8.58 4.04 0.00 3.37 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.36 3.97 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 64 A 8.03 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.96 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.31 4.07 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.91 0.00 67 Q 8.12 4.05 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 68 M 8.00 4.08 0.00 2.10 2.20 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 2.78 2.54 0.00 69 L 8.00 3.91 0.00 1.70 1.86 0.86 0.41 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 70 K 8.11 3.95 0.00 2.03 1.89 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.75 7.81 71 E 8.27 4.01 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 2.33 2.54 0.00 72 T 7.88 3.86 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 1.28 0.00 0.00 73 I 8.17 3.86 2.15 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 1.87 0.85 1.24 0.00 0.00 74 N 8.63 4.29 0.00 2.82 2.83 0.00 0.00 7.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.27 3.86 0.00 2.04 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 2.28 2.41 0.00 76 E 8.29 3.55 0.00 1.16 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 0.00 0.00 0.00 2.33 2.32 0.00 77 A 7.47 3.28 1.23 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 0.00 0.00 0.00 78 A 7.82 3.98 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 79 E 7.90 3.80 0.00 2.12 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 2.27 2.34 0.00 80 W 8.16 4.15 0.00 3.69 3.30 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 81 D 8.35 4.62 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.71 3.85 0.00 1.93 2.04 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 L 7.60 4.35 0.00 1.25 1.35 0.89 0.78 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 84 H 7.34 4.53 0.00 2.80 2.99 0.00 5.66 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 85 P 0.00 4.31 0.00 2.01 1.95 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 86 V 8.42 3.54 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 0.80 0.00 0.00 0.96 0.00 0.00 87 A 8.32 4.35 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 88 M 8.39 4.13 0.00 2.03 2.02 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 2.61 2.49 0.00 89 A 8.26 4.55 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.56 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 91 I 8.21 3.76 1.90 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 1.39 0.57 0.94 0.00 0.00 92 A 8.42 4.22 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 93 P 0.00 4.35 0.00 2.05 2.03 0.00 3.72 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 2.04 2.12 0.00 94 G 8.99 4.37 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 0.00 95 Q 7.59 4.20 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 96 M 8.33 4.54 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 97 R 8.48 4.23 0.00 2.07 2.03 0.00 3.20 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 98 E 8.55 4.25 0.00 2.03 1.95 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 2.37 2.27 0.00 99 P 0.00 4.04 0.00 1.39 0.49 0.00 3.55 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.00 100 R 9.14 4.69 0.00 1.90 1.97 0.00 3.38 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 101 G 9.69 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.07 4.22 0.00 3.89 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 0.00 103 D 7.81 4.37 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.30 3.35 1.54 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 0.69 -0.10 -0.13 0.00 0.00 105 A 7.44 2.58 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.53 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 0.00 107 T 7.72 4.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 108 T 7.79 4.59 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 1.23 0.00 0.00 109 S 7.84 4.90 0.00 4.10 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 0.00 110 T 8.55 4.36 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 0.00 111 L 8.11 3.93 0.00 1.82 1.62 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.85 3.87 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 113 E 8.08 3.23 0.00 1.80 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 0.00 0.00 0.00 1.69 1.99 0.00 114 Q 7.63 4.25 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 115 I 7.87 3.76 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.87 0.00 0.00 116 G 8.28 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 0.00 117 W 8.04 4.39 0.00 3.63 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 8.34 4.41 0.00 2.02 2.35 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.58 0.00 119 T 7.91 4.50 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 120 H 8.24 4.47 0.00 3.40 3.56 0.00 5.69 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 0.00 121 N 8.37 4.86 0.00 2.70 2.73 0.00 0.00 6.83 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 0.00 122 P 0.00 4.63 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 123 P 0.00 4.65 0.00 2.20 2.33 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 124 I 8.61 4.34 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.85 0.00 0.00 125 P 0.00 4.63 0.00 2.22 2.20 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 126 V 7.80 3.45 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 0.47 0.00 0.00 1.07 0.00 0.00 127 G 7.86 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.02 3.92 0.00 2.07 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 2.36 2.32 0.00 129 I 7.41 3.43 1.40 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.95 0.12 0.00 0.00 130 Y 7.30 3.29 0.00 2.74 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 0.00 131 K 8.05 3.77 0.00 1.77 1.93 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.62 7.81 132 R 7.69 3.95 0.00 2.09 2.06 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 133 W 7.82 4.51 0.00 3.54 3.27 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 0.00 134 I 7.92 3.60 1.81 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.26 0.18 0.00 0.00 135 I 8.02 3.72 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 0.95 0.00 0.00 136 L 8.22 4.12 0.00 1.95 1.75 1.04 0.75 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 0.00 137 G 8.27 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.42 3.96 0.00 1.73 1.76 0.49 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.52 4.33 0.00 2.89 2.89 0.00 0.00 6.63 7.81 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 0.00 140 K 7.90 3.92 0.00 1.85 1.95 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 I 7.71 3.71 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.02 0.00 0.00 142 V 8.37 4.03 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 1.25 0.00 0.00 1.20 0.00 0.00 143 R 7.99 3.95 0.00 2.03 2.06 0.00 3.11 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 144 M 7.57 4.01 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.11 0.00 145 Y 8.06 4.25 0.00 3.15 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 0.00 146 S 8.36 4.35 0.00 3.98 4.03 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 0.00 0.00 0.00