NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2766 8.3149 121.7923 56.1508 33.3757 175.4048 3 T 4.3044 8.2718 122.6078 62.7925 69.2237 173.2826 4 R 4.1665 9.7829 127.5055 58.7169 31.4053 177.0783 5 I 4.4349 7.2464 115.7687 58.7154 40.9890 175.7213 6 N 4.4684 8.4284 123.5279 52.6661 37.8729 174.8933 7 Y 4.0420 7.9736 125.9800 59.5041 38.5234 177.8208 8 A 3.5524 6.8574 122.1314 54.3016 18.0547 179.2220 9 K 3.9282 7.4314 116.9676 59.1939 32.5245 178.5454 10 A 4.2832 8.0242 120.4408 54.0085 19.5723 177.7862 11 S 4.5346 8.1130 112.3418 54.7764 63.2689 172.0123 12 P 4.5920 0.0000 0.0000 64.5726 31.3573 177.6021 13 E 4.0059 8.2408 116.4982 59.2729 29.5066 179.0266 14 A 4.0189 7.7570 119.4716 55.0954 18.4206 179.2481 15 F 4.2985 8.4249 119.1616 61.7325 39.3975 177.4682 16 K 3.8727 8.5907 117.9092 59.3780 31.6773 179.1858 17 A 3.9412 8.0992 121.0398 55.1774 18.3035 179.9131 18 V 3.2833 7.5957 116.6854 66.2579 31.3986 178.1769 19 M 4.2539 8.1478 118.4064 58.2502 31.7073 178.6072 20 A 4.0083 8.2715 121.3390 54.9998 18.5470 179.4322 21 L 3.9769 7.7433 118.8750 58.2345 42.1504 178.6522 22 E 4.1207 8.4911 119.3683 59.5173 29.5500 178.3505 23 N 4.3177 8.5815 117.2218 56.7029 38.7788 176.0738 24 Y 4.0127 7.9473 119.9368 60.7399 39.3478 177.9023 25 V 3.5191 7.9683 118.9852 66.2934 31.4031 177.9863 26 Q 4.0525 8.0875 116.5128 58.0690 27.8914 178.0177 27 S 4.6305 7.4444 112.9017 58.0506 63.1828 176.1226 28 S 3.8157 7.4049 118.3553 60.1085 62.8082 175.2569 29 G 4.0782 7.3745 108.3581 45.1868 0.0000 174.2149 30 L 4.2225 7.2091 119.8242 54.3950 42.4538 177.5073 31 E 3.9733 8.9959 121.8874 56.8489 31.0331 177.9768 32 H 4.0257 8.7634 119.2091 59.1296 28.3328 177.6453 33 R 3.7424 7.2677 120.5784 59.1794 29.7162 178.3571 34 F 4.7218 7.6232 117.0083 60.4265 39.0818 177.6208 35 I 3.7405 7.8103 119.4422 64.8337 36.9126 178.1328 36 H 4.3284 8.5664 117.3067 58.7560 28.4832 177.5608 37 L 3.9689 8.4093 122.1135 58.2816 41.9756 178.9861 38 I 3.6457 8.0232 119.7626 64.4537 37.2076 178.6426 39 K 3.9480 8.1592 119.1379 59.2607 31.8745 179.3306 40 L 3.9773 8.3551 121.0102 58.1121 42.1013 178.9051 41 R 3.7915 8.1115 118.5892 59.4211 29.9925 178.2773 42 A 3.9942 7.9526 120.5356 55.3082 18.3617 179.7657 43 S 4.2458 8.0565 113.3443 61.7191 62.8972 176.9826 44 I 3.7173 7.8546 122.3941 64.5412 36.6908 178.3467 45 I 3.7268 7.5837 119.0658 64.5628 37.1033 177.5258 46 N 4.6937 8.2259 113.8494 53.0090 38.5431 175.8598 47 G 3.7836 7.6907 108.4520 46.7273 0.0000 174.5544 48 C 4.4236 8.0642 120.9964 57.7749 31.1220 173.6252 49 A 4.0194 8.4247 130.7494 54.7529 18.2650 178.5464 50 F 4.1029 8.3678 118.7729 61.8899 39.5020 177.0989 51 C 4.0578 8.2394 115.7620 62.5335 28.0179 175.8794 52 V 3.5889 8.0767 120.2144 66.0929 31.1975 177.4564 53 D 4.1745 8.2172 117.9141 57.5292 41.0192 177.9338 54 M 3.7974 7.4673 117.9631 59.0517 32.2096 177.8822 55 H 4.7212 8.3913 117.7078 57.5655 28.8429 178.0027 56 V 3.6482 8.1403 120.9351 65.9945 31.3974 178.1827 57 K 3.9467 7.8444 117.7077 59.5596 31.4851 179.2835 58 E 3.9825 8.3081 118.8367 59.3548 29.3969 179.4915 59 S 3.8611 8.1878 115.3098 61.5063 62.9479 176.7513 60 R 3.8347 8.1691 121.4382 59.6862 29.6125 177.9066 61 H 4.1417 8.0865 116.9099 59.1796 29.8511 175.9437 62 D 4.5796 7.7211 117.9340 53.9764 40.7456 177.3115 63 G 3.8527 7.7904 107.7157 45.1073 0.0000 174.2877 64 L 3.7788 7.2167 119.8615 54.0237 42.2535 177.9798 65 S 4.3970 8.2398 117.3767 58.1869 65.2436 175.3233 66 E 4.0624 8.7048 122.4068 59.5403 29.2332 179.4592 67 Q 3.9812 8.0921 119.2523 58.9638 29.0229 177.8168 68 W 4.1449 8.1085 128.1063 60.5707 30.8549 177.7929 69 I 4.1018 8.2270 119.6372 64.7844 36.4826 178.3232 70 N 4.4647 8.6576 116.1020 55.7403 38.6404 176.5731 71 L 4.4945 8.0662 118.4789 55.2805 41.7998 178.2252 72 M 3.9861 7.7640 119.8163 58.3590 32.2130 177.8642 73 S 4.4290 8.0978 112.9673 60.2721 63.5253 174.5341 74 V 4.5395 8.0421 117.1077 60.3439 32.9895 177.6337 75 W 4.5089 8.5381 119.3928 59.5832 28.1705 178.1751 76 R 2.8641 6.8094 117.0705 58.3178 29.3745 176.9906 77 E 4.3920 7.6382 114.3398 55.8527 29.7753 175.2104 78 S 4.7407 7.8011 115.0825 55.8264 63.5736 172.2601 79 P 4.5496 0.0000 0.0000 63.7135 31.3946 177.3306 80 V 3.5473 7.4684 119.8552 65.8503 31.5444 175.9263 81 Y 4.8159 7.3542 116.4779 57.1122 38.9256 175.9307 82 T 4.2924 9.1767 115.0986 61.4033 71.0854 175.5897 83 E 3.9896 8.7448 120.9918 59.6034 29.4499 179.4755 84 Q 3.5357 7.9506 118.9796 59.1595 29.2477 177.9508 85 E 4.0910 8.4442 119.6083 59.6279 29.4570 179.6395 86 R 3.7292 8.4894 118.2166 58.9418 29.9733 178.9457 87 A 3.9829 8.0446 120.6281 55.0521 18.3816 179.4364 88 L 3.7776 7.9512 118.7566 58.2774 42.0837 179.1348 89 L 3.5388 7.9919 119.3569 57.4521 41.2314 179.6383 90 G 3.8825 7.9139 105.7678 47.6798 0.0000 175.5559 91 W 4.3102 8.0459 130.6658 60.1161 30.7021 178.1727 92 V 3.4455 8.1478 118.6991 66.1626 30.8764 177.7064 93 D 4.3178 8.3614 118.3990 57.4152 40.5222 178.6844 94 A 3.9030 7.6736 119.7360 55.1656 18.4380 179.5318 95 V 3.3419 7.3403 115.8432 66.0284 31.6000 178.0493 96 T 3.9391 7.8867 115.0552 65.5406 68.9520 175.7240 97 K 4.5397 7.8264 120.6884 55.6895 32.7922 178.3871 98 I 3.6275 7.7322 120.7372 64.4142 37.7986 176.1212 99 A 3.9316 7.8488 120.2017 54.5356 18.3059 178.3974 100 E 4.1596 8.0205 116.7250 58.4771 30.2377 177.5263 101 T 4.3230 7.9142 108.2981 61.1823 69.6792 175.7374 102 G 3.7179 8.4165 107.4210 45.2229 0.0000 173.4140 103 A 3.5855 7.7403 121.4586 51.8953 15.9785 176.6971 104 P 4.5351 0.0000 0.0000 61.5753 34.0022 176.4862 105 D 4.5652 8.8425 120.2500 58.0295 40.7910 179.1631 106 D 4.4211 8.2260 118.3507 57.4414 40.9459 178.5852 107 A 4.1932 8.1661 120.7835 55.0780 18.4052 179.3667 108 F 3.5713 8.5160 119.1494 61.4097 39.4335 177.3045 109 E 3.7545 8.7810 118.6410 59.6444 28.9987 179.5282 110 T 3.8634 7.7730 114.8923 66.3945 68.7425 176.1272 111 L 4.0515 7.6467 122.2213 58.2122 41.8532 179.1005 112 R 3.5627 7.4386 117.1268 59.0022 29.9310 178.0277 113 A 4.0064 7.5505 119.4957 54.2278 18.3786 177.5123 114 H 4.5248 8.0301 111.8093 55.3071 30.9016 173.9874 115 F 4.9475 7.5756 116.6394 54.4594 42.8274 175.0806 116 S 4.4164 9.1497 119.2801 58.0909 65.0136 175.2802 117 D 4.3237 8.5577 122.1700 57.4508 40.5538 178.7275 118 E 3.9547 8.1280 119.2569 59.4332 29.7914 178.5096 119 E 4.0335 8.1594 118.4968 59.5874 29.4469 179.4927 120 I 3.5861 7.9623 120.0773 64.1390 37.0219 178.6773 121 V 3.6327 7.9081 119.1067 65.9370 31.4035 178.1390 122 K 4.0686 8.1541 118.1798 59.6158 31.8497 179.2460 123 I 3.6829 8.1968 120.2255 64.8998 37.0582 178.7187 124 T 4.0393 8.2695 116.6319 66.5838 68.2272 177.0515 125 V 3.6244 8.2498 120.2916 65.8420 31.5797 177.8864 126 A 4.0802 8.2657 120.5923 55.3130 18.2527 179.6171 127 I 3.7670 8.2586 118.7964 64.4302 37.1538 178.8615 128 G 3.5918 8.2747 106.2936 47.6920 0.0000 175.5057 129 A 3.9437 8.3930 123.8537 55.0262 18.4016 179.6660 130 I 4.0004 8.0102 117.0533 64.2367 37.9291 177.7868 131 N 4.3801 8.3718 117.5187 56.3467 38.2074 177.6055 132 T 3.7589 7.8047 117.3024 66.3538 68.5744 176.8296 133 W 4.3785 8.0341 120.8105 60.0452 29.0100 178.3176 134 N 4.4953 8.7631 116.7288 56.4727 37.9868 177.7422 135 R 3.8289 7.8297 119.2812 59.0372 30.0925 179.2050 136 I 3.0467 7.7859 119.4351 64.0514 37.0817 178.3553 137 A 3.9137 8.2156 123.1887 54.6756 18.3010 179.9105 138 V 3.6245 8.1024 117.2412 66.0680 31.3946 178.3428 139 G 3.4439 7.7478 104.3831 46.9510 0.0000 174.0703 140 F 5.1185 7.8781 117.1913 56.3772 39.6775 175.8628 141 R 4.0117 7.9176 119.2476 56.8550 27.7104 176.6406 142 S 4.1150 8.0644 113.1516 58.9778 63.4867 173.9551 143 Q 4.9345 8.5143 123.4822 54.2750 30.1483 175.4310 144 H 4.7171 8.7737 118.6720 54.1247 29.7836 173.4583 145 P 4.3644 0.0000 0.0000 62.6396 31.7884 176.0284 146 V 4.3526 8.0026 121.1903 60.7584 33.1358 175.5527 147 E 4.1384 8.6430 126.2241 56.0616 30.1510 176.7604 148 A 4.1726 8.3663 122.2355 52.6581 18.5060 177.7023 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.31 4.28 0.00 1.74 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 3 T 8.27 4.30 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 1.30 0.00 0.00 4 R 9.78 4.17 0.00 1.99 2.05 0.00 3.36 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 5 I 7.25 4.43 1.06 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.37 0.63 0.00 0.00 6 N 8.43 4.47 0.00 2.64 2.59 0.00 0.00 6.97 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 7 Y 7.97 4.04 0.00 3.39 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 8 A 6.86 3.55 0.30 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 9 K 7.43 3.93 0.00 1.61 1.86 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 10 A 8.02 4.28 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 11 S 8.11 4.53 0.00 3.86 3.77 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 12 P 0.00 4.59 0.00 2.25 2.15 0.00 3.96 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 13 E 8.24 4.01 0.00 2.10 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 2.43 2.48 0.00 14 A 7.76 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.42 4.30 0.00 3.34 3.43 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 16 K 8.59 3.87 0.00 2.07 1.89 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.83 7.81 17 A 8.10 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 18 V 7.60 3.28 1.50 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 -0.50 0.00 0.00 0.63 0.00 0.00 19 M 8.15 4.25 0.00 2.02 2.03 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 2.10 1.93 0.00 20 A 8.27 4.01 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 21 L 7.74 3.98 0.00 1.69 1.81 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.49 4.12 0.00 2.72 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 23 N 8.58 4.32 0.00 3.03 3.04 0.00 0.00 6.87 8.42 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 24 Y 7.95 4.01 0.00 3.07 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 25 V 7.97 3.52 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 1.00 0.00 0.00 1.09 0.00 0.00 26 Q 8.09 4.05 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 27 S 7.44 4.63 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.40 3.82 0.00 3.77 3.42 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 29 G 7.37 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.21 4.22 0.00 1.66 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.00 3.97 0.00 1.52 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 2.29 2.42 0.00 32 H 8.76 4.03 0.00 3.28 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.27 3.74 0.00 1.38 1.33 0.00 2.87 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.31 0.00 34 F 7.62 4.72 0.00 3.27 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.81 3.74 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.89 0.00 0.00 36 H 8.57 4.33 0.00 3.52 3.58 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.41 3.97 0.00 2.30 2.08 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.02 3.65 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.50 0.92 0.00 0.00 39 K 8.16 3.95 0.00 1.80 1.38 0.00 1.56 0.00 0.00 1.37 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.57 7.81 40 L 8.36 3.98 0.00 1.88 1.74 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.11 3.79 0.00 1.72 1.85 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 42 A 7.95 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.06 4.25 0.00 4.14 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 44 I 7.85 3.72 2.04 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 1.54 0.91 0.94 0.00 0.00 45 I 7.58 3.73 2.01 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 1.56 0.66 0.91 0.00 0.00 46 N 8.23 4.69 0.00 2.81 2.87 0.00 0.00 7.10 7.18 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 47 G 7.69 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 48 C 8.06 4.42 0.00 3.08 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 49 A 8.42 4.02 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 50 F 8.37 4.10 0.00 3.37 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.24 4.06 0.00 3.13 3.08 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 0.00 0.00 0.00 52 V 8.08 3.59 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 1.08 0.00 0.00 1.01 0.00 0.00 53 D 8.22 4.17 0.00 2.47 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 54 M 7.47 3.80 0.00 1.83 1.58 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 55 H 8.39 4.72 0.00 3.26 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.14 3.65 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 1.13 0.00 0.00 0.98 0.00 0.00 57 K 7.84 3.95 0.00 1.98 1.80 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 58 E 8.31 3.98 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 59 S 8.19 3.86 0.00 4.15 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.17 3.83 0.00 1.95 2.08 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 61 H 8.09 4.14 0.00 3.12 3.48 0.00 5.99 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 62 D 7.72 4.58 0.00 2.66 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 0.00 0.00 0.00 0.00 63 G 7.79 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 0.00 0.00 0.00 64 L 7.22 3.78 0.00 1.52 0.93 0.34 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.24 4.40 0.00 4.07 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 66 E 8.70 4.06 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 67 Q 8.09 3.98 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 68 W 8.11 4.14 0.00 3.29 3.42 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 69 I 8.23 4.10 2.17 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 1.91 1.36 1.02 0.00 0.00 70 N 8.66 4.46 0.00 2.70 2.93 0.00 0.00 7.13 7.85 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 71 L 8.07 4.49 0.00 1.91 1.88 0.97 0.72 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 72 M 7.76 3.99 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 73 S 8.10 4.43 0.00 4.09 4.01 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 74 V 8.04 4.54 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 0.99 0.00 0.00 1.04 0.00 0.00 75 W 8.54 4.51 0.00 3.12 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 76 R 6.81 2.86 0.00 1.24 1.53 0.00 2.82 0.00 0.00 2.82 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 E 7.64 4.39 0.00 1.83 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 2.14 2.30 0.00 78 S 7.80 4.74 0.00 3.94 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 79 P 0.00 4.55 0.00 2.22 2.17 0.00 3.83 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 1.98 1.96 0.00 80 V 7.47 3.55 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 0.52 0.00 0.00 0.85 0.00 0.00 81 Y 7.35 4.82 0.00 3.23 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 82 T 9.18 4.29 4.33 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 1.38 0.00 0.00 83 E 8.74 3.99 0.00 2.03 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 2.45 2.37 0.00 84 Q 7.95 3.54 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.21 1.80 0.00 85 E 8.44 4.09 0.00 2.51 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 2.76 2.71 0.00 86 R 8.49 3.73 0.00 2.07 2.23 0.00 3.35 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 87 A 8.04 3.98 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 88 L 7.95 3.78 0.00 1.68 1.75 0.62 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.99 3.54 0.00 0.27 0.13 -0.18 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.91 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 91 W 8.05 4.31 0.00 3.27 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 92 V 8.15 3.45 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 0.98 0.00 0.00 0.88 0.00 0.00 93 D 8.36 4.32 0.00 3.14 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 94 A 7.67 3.90 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 95 V 7.34 3.34 1.63 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 0.60 0.00 0.00 -0.57 0.00 0.00 96 T 7.89 3.94 4.22 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 1.25 0.00 0.00 97 K 7.83 4.54 0.00 1.85 1.75 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.39 7.81 98 I 7.73 3.63 1.94 0.00 0.00 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 1.48 1.36 0.84 0.00 0.00 99 A 7.85 3.93 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 0.00 100 E 8.02 4.16 0.00 1.95 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 2.24 2.34 0.00 101 T 7.91 4.32 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 1.24 0.00 0.00 102 G 8.42 3.72 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 0.00 0.00 0.00 103 A 7.74 3.59 1.17 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 0.00 0.00 104 P 0.00 4.54 0.00 2.27 2.05 0.00 3.72 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 2.16 2.38 0.00 105 D 8.84 4.57 0.00 2.76 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 0.00 106 D 8.23 4.42 0.00 2.77 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 A 8.17 4.19 1.64 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 0.00 0.00 108 F 8.52 3.57 0.00 3.28 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 0.00 109 E 8.78 3.75 0.00 2.08 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 2.39 2.58 0.00 110 T 7.77 3.86 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 1.27 0.00 0.00 111 L 7.65 4.05 0.00 1.57 1.17 0.66 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.44 3.56 0.00 1.31 1.65 0.00 3.08 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 1.42 1.15 0.00 113 A 7.55 4.01 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 0.00 114 H 8.03 4.52 0.00 2.87 2.66 0.00 5.60 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 0.00 115 F 7.58 4.95 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.15 4.42 0.00 4.04 4.01 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 0.00 117 D 8.56 4.32 0.00 2.80 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 0.00 118 E 8.13 3.95 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 119 E 8.16 4.03 0.00 2.36 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 2.45 2.44 0.00 120 I 7.96 3.59 1.97 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 1.07 0.65 0.80 0.00 0.00 121 V 7.91 3.63 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 1.15 0.00 0.00 1.03 0.00 0.00 122 K 8.15 4.07 0.00 2.06 1.91 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.77 7.81 123 I 8.20 3.68 1.93 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.91 0.00 0.00 124 T 8.27 4.04 4.40 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 1.34 0.00 0.00 125 V 8.25 3.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.99 0.00 0.00 126 A 8.27 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 0.00 127 I 8.26 3.77 1.99 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 1.42 1.03 0.82 0.00 0.00 128 G 8.27 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 0.00 129 A 8.39 3.94 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 0.00 130 I 8.01 4.00 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 1.05 0.00 0.00 131 N 8.37 4.38 0.00 3.01 2.82 0.00 0.00 6.96 6.40 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 0.00 132 T 7.80 3.76 4.16 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 0.85 0.00 0.00 133 W 8.03 4.38 0.00 3.61 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 0.00 134 N 8.76 4.50 0.00 2.89 2.91 0.00 0.00 7.07 7.25 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 0.00 135 R 7.83 3.83 0.00 1.91 1.83 0.00 3.16 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 136 I 7.79 3.05 1.87 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 0.23 0.00 0.00 137 A 8.22 3.91 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 0.00 138 V 8.10 3.62 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 0.99 0.00 0.00 1.01 0.00 0.00 139 G 7.75 3.44 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 0.00 140 F 7.88 5.12 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.92 4.01 0.00 2.07 2.02 0.00 3.33 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 142 S 8.06 4.12 0.00 3.17 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 0.00 143 Q 8.51 4.93 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 144 H 8.77 4.72 0.00 3.21 3.29 0.00 5.73 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 0.00 145 P 0.00 4.36 0.00 2.07 2.03 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 146 V 8.00 4.35 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 0.85 0.00 0.00 0.91 0.00 0.00 147 E 8.64 4.14 0.00 2.00 1.87 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 2.32 2.26 0.00 148 A 8.37 4.17 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