NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1828 8.3049 120.0817 54.4372 34.7586 174.0764 2 L 4.4777 5.7220 117.1342 52.3293 46.3547 173.1182 3 D 5.3809 8.7791 120.1984 52.8933 43.9146 175.7442 4 I 5.1343 9.0267 122.9439 59.5763 41.0054 174.6982 5 V 4.8952 9.2209 125.4977 61.2290 34.8404 174.0461 6 L 4.9565 9.2038 128.7667 53.5298 43.1302 175.2103 7 Y 4.2960 9.5672 127.5712 57.1369 39.0388 175.8515 8 E 4.0466 8.0178 129.0125 55.4271 27.7614 174.0831 9 P 4.4833 0.0000 0.0000 63.3053 32.6453 177.1825 10 E 4.3566 9.7537 120.2820 57.7094 30.9037 176.2094 11 I 4.5130 7.8608 119.8289 58.7162 39.4300 174.6593 12 P 2.9700 0.0000 0.0000 65.9039 31.1069 178.7213 13 Q 3.8885 7.8268 117.4959 58.3888 28.5886 178.5748 14 N 4.3041 7.9320 117.0358 56.7080 38.7106 177.4772 15 T 4.0664 7.6988 117.2518 66.5228 68.4999 177.0222 16 G 3.5594 8.1740 107.8466 47.7968 0.0000 175.5987 17 N 4.3836 7.9775 118.3896 55.9773 38.4662 177.6328 18 I 3.7112 7.7813 121.4106 64.0793 37.1929 178.4509 19 I 3.6222 8.0418 121.3830 64.1749 36.8461 178.4355 20 R 4.0353 7.7815 120.9518 58.6084 29.8600 178.1571 21 L 3.8928 7.9616 120.2388 58.4630 42.0472 178.7949 22 C 3.9893 8.1384 116.3061 62.8562 27.8720 176.0849 23 A 3.9703 7.7414 120.9365 55.1255 18.0462 179.0693 24 N 4.5274 8.5731 114.1004 55.2136 38.7356 176.4474 25 T 3.4910 7.5050 108.8417 60.3404 70.2528 175.2071 26 G 3.7728 7.9861 109.3919 45.1219 0.0000 173.0870 27 F 4.3850 7.3897 117.9757 56.6403 40.1471 175.5700 28 R 4.4644 8.5319 122.1423 55.5011 31.6490 175.0801 29 L 5.1355 8.4839 125.6706 53.9481 44.3477 174.6022 30 H 5.6126 9.7777 122.8019 54.0170 32.7517 172.6556 31 L 5.1377 8.9906 121.2751 53.0847 45.1496 175.5482 32 I 4.5824 8.8436 125.6879 59.9643 38.2999 175.7382 33 E 4.4885 8.9776 127.9395 55.0027 30.4513 175.3432 34 P 4.2552 0.0000 0.0000 62.7191 32.1526 176.1001 35 L 4.4285 7.9576 120.9639 53.7567 42.8890 176.6987 36 G 4.0569 8.4306 108.3052 44.9397 0.0000 173.4950 37 F 4.9620 6.4255 113.1172 55.3725 40.7649 173.9163 38 T 4.2971 8.4655 111.7628 60.7965 69.5198 175.6058 39 W 4.9417 9.0232 133.3093 60.0425 30.8004 175.8943 40 D 4.5091 7.4706 115.8074 54.0546 41.5289 176.1280 41 D 4.4789 8.4273 118.3742 55.6681 43.1209 177.4417 42 K 4.0906 8.5794 123.8339 59.1867 32.1270 179.5383 43 R 4.0348 8.0536 116.7597 57.5510 30.2075 177.5172 44 L 4.3075 7.4654 119.4890 56.7728 42.9358 177.8505 45 R 3.9053 7.6382 117.4564 59.0874 30.0455 177.2360 46 R 4.5294 8.0937 115.0242 55.8911 30.1167 177.8925 47 S 4.1218 7.6450 113.3287 59.7400 62.8782 175.1252 48 G 3.9153 7.6865 109.6896 45.0639 0.0000 173.5206 49 L 4.0192 7.0707 120.7360 54.4715 43.0451 175.6310 50 D 4.5099 8.8603 124.8810 52.9655 42.5380 177.0489 51 Y 4.8069 7.9461 122.8973 60.7146 38.2627 177.9781 52 H 4.3288 8.3734 116.9622 58.7393 28.5952 176.7366 53 E 4.0916 8.2951 118.1539 58.3621 29.4667 176.8021 54 F 4.9409 8.0635 118.5924 58.3225 41.2462 175.0321 55 A 4.4192 9.1556 119.7672 53.8982 15.8118 176.9227 56 E 4.7567 7.8519 118.3238 56.5239 32.6240 175.5005 57 I 4.5496 7.8670 119.2758 61.1648 38.7056 174.9369 58 K 4.5931 8.7188 126.6277 54.6345 35.1710 174.7693 59 R 5.0152 8.3960 124.9649 54.6853 32.7782 174.9350 60 H 4.8739 8.9177 119.7599 53.9166 31.6383 175.3490 61 K 4.1301 8.9776 122.6429 59.0957 32.4225 177.3422 62 T 4.8039 7.4464 107.2432 59.0364 73.3465 174.3660 63 F 4.3366 8.8333 122.0210 61.4321 39.4426 176.7993 64 E 3.8673 8.3708 117.6673 58.8281 29.2941 178.9688 65 A 3.9558 7.9709 121.2993 54.9049 18.3939 179.2243 66 F 3.9267 8.2698 119.2246 61.5829 39.3531 177.3221 67 L 3.2761 7.6843 118.4419 57.3773 41.0621 179.2550 68 E 3.7597 7.6432 118.5417 59.3282 29.7551 178.7601 69 S 4.2229 8.1666 113.0353 60.5601 63.3857 175.2710 70 E 4.0551 7.7523 120.8005 55.3599 31.3055 176.5854 71 K 3.6454 7.3871 115.6695 56.2030 29.6120 172.4106 72 P 3.8127 0.0000 0.0000 62.4638 32.2233 177.1811 73 K 4.1516 8.3145 123.3049 59.2568 32.6744 177.2138 74 R 4.6816 8.0065 117.5893 54.2281 34.5600 173.5357 75 L 5.2822 8.5273 124.9740 53.4743 44.1964 175.3540 76 F 5.0272 9.9354 125.0444 55.8809 42.0775 174.5915 77 A 4.9464 8.9203 123.0352 50.0054 21.8309 174.9945 78 L 4.6999 8.3763 126.1191 54.9031 42.7588 176.1063 79 T 4.8355 9.1228 121.4878 60.6361 70.7432 174.7246 80 T 4.0862 8.8659 118.0618 63.7575 68.8794 174.8364 81 K 4.2592 7.9306 120.7884 56.7484 32.5885 177.2866 82 G 4.1049 8.0182 108.2873 45.0656 0.0000 173.3929 83 C 4.4588 8.5334 117.5650 60.7168 29.6264 173.2762 84 P 4.4858 0.0000 0.0000 62.2304 31.9074 175.7609 85 A 5.2339 9.2568 123.5000 51.2460 19.1186 178.5687 86 H 4.3387 8.8835 115.1588 58.2467 28.6619 176.5991 87 S 4.6730 7.5110 111.4679 57.8136 63.3419 174.3050 88 Q 4.2984 7.8648 119.4907 56.2951 28.9026 175.7162 89 V 4.2544 7.1662 110.7486 59.2274 34.3904 175.3518 90 K 4.4101 8.0072 121.3022 54.5593 32.4829 176.7347 91 F 4.6388 8.7575 123.8944 57.2832 39.7016 175.2222 92 K 4.7809 10.2818 122.1787 54.8222 35.6633 175.7434 93 L 4.1049 8.4151 119.8065 56.8965 42.2255 177.9044 94 G 4.1364 8.9610 110.6831 45.1999 0.0000 173.0706 95 D 5.1715 8.3927 120.4332 54.7052 42.3143 174.9191 96 Y 4.8632 9.4052 120.0679 56.2510 41.1195 174.5172 97 L 5.0980 9.0903 124.5846 53.3420 44.1510 175.0603 98 M 5.0994 9.1263 124.5894 53.8563 34.7786 174.5914 99 F 5.0912 9.3477 123.4713 55.6978 43.2205 175.3202 100 G 4.1930 8.7248 109.5672 44.4166 0.0000 171.2578 101 P 4.7178 0.0000 0.0000 62.1879 31.7937 177.4686 102 E 4.1393 8.7293 116.9998 57.9879 29.8469 177.3384 103 T 4.5413 7.1098 108.9320 61.1650 69.5702 173.3608 104 R 4.4100 7.5450 116.7924 55.8011 31.6363 174.0995 105 G 3.9700 8.2666 108.3411 43.8452 0.0000 173.4449 106 I 3.5060 7.9149 120.0421 60.1647 37.5967 175.2921 107 P 4.1539 0.0000 0.0000 63.4498 32.9515 177.6639 108 M 3.9893 8.5503 120.8324 58.2790 31.7003 179.2506 109 S 4.1028 7.8346 113.5422 61.3754 63.4058 176.3804 110 I 3.6688 7.3407 122.7899 64.1435 37.1401 178.1161 111 L 3.9604 7.8873 119.8963 57.9535 41.2057 179.1555 112 N 4.5642 8.4178 115.1650 54.8914 38.4189 175.4788 113 E 4.5941 8.0425 119.1720 55.9789 30.0171 175.3160 114 M 4.7459 7.4891 118.2952 52.4589 34.7668 174.2133 115 P 4.4651 0.0000 0.0000 62.5455 32.7427 177.1488 116 M 3.9779 8.7219 119.6320 58.8512 31.9706 178.5729 117 E 4.1605 8.1585 116.0563 58.4076 29.8431 177.1156 118 Q 4.4738 8.2253 117.0258 55.3541 30.6013 175.1513 119 K 4.9453 8.2002 120.6588 55.0577 33.2828 175.4739 120 I 5.1325 8.8774 119.7851 59.0423 40.9491 174.8359 121 R 5.0289 8.6610 118.7177 54.5274 33.1385 174.0529 122 I 4.5407 8.3520 121.7259 59.8935 38.0086 174.3759 123 P 4.4950 0.0000 0.0000 63.1722 31.9425 175.5437 124 M 4.8249 8.0423 119.1316 54.0383 35.9533 175.1156 125 T 4.2648 8.2152 111.6479 60.1260 70.4940 174.0526 126 A 3.9085 8.4176 124.1541 53.9929 18.9228 177.2911 127 N 4.1123 8.6304 119.1557 54.2533 35.9430 173.6192 128 S 4.5959 7.6815 111.7331 57.3317 65.4445 173.0876 129 R 4.7394 7.9530 118.3417 53.5711 33.2292 175.8672 130 S 4.1671 8.5037 114.0783 58.9552 63.2735 173.9243 131 M 4.2942 8.3692 123.5363 54.4500 33.1828 175.7420 132 N 4.3916 8.5681 122.7369 53.3104 40.6768 175.0466 133 L 3.9137 8.7133 129.8863 58.7537 42.0433 179.5297 134 S 4.0028 8.0970 113.1799 61.5475 62.7418 176.0037 135 N 4.2841 8.4712 120.0141 56.1113 38.2847 177.5108 136 S 4.1061 8.2033 116.6964 61.6582 62.8735 177.0269 137 V 2.8793 7.8856 120.9696 65.4068 31.1604 177.9572 138 A 3.9237 8.0607 120.7448 55.1384 18.3285 179.5759 139 V 3.6071 7.9357 116.9329 66.6242 31.5220 178.4205 140 T 3.9208 7.9785 115.1905 66.5786 68.3768 176.8033 141 V 3.0005 7.7691 120.2355 66.2602 31.3644 177.7973 142 Y 4.2477 8.0594 116.1224 60.6466 37.3142 178.0599 143 E 4.0536 8.2850 120.4164 59.1968 29.9611 178.5878 144 A 4.0985 8.3287 121.3335 54.8116 18.3250 179.4067 145 W 4.5637 8.7947 127.3306 60.6356 30.7873 178.0798 146 R 2.5100 8.2872 118.9408 59.2953 29.2893 178.5062 147 Q 4.0558 7.9649 116.2656 58.4714 28.6952 177.8122 148 L 4.5904 7.5022 117.4670 54.1044 41.8389 177.1687 149 G 3.6906 7.5273 106.1135 45.7274 0.0000 173.6707 150 Y 2.0000 7.5432 115.2725 57.6852 35.9844 171.1193 151 K 4.3403 8.1537 117.7106 58.0426 32.8163 177.9608 152 G 4.1525 9.1271 111.6280 45.2045 0.0000 173.7337 153 A 4.4600 7.6552 122.3488 52.4231 18.9527 177.1932 154 V 4.4996 7.8040 112.2569 59.8248 35.6774 174.6558 155 N 4.6160 8.4339 120.1975 52.1674 39.5240 175.2121 156 L 4.0892 8.5061 119.8163 56.0166 41.9751 176.5864 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 4.18 0.00 1.68 1.64 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 2 L 5.72 4.48 0.00 1.46 1.57 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.78 5.38 0.00 1.58 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.03 5.13 1.98 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 1.30 1.10 1.05 0.00 0.00 5 V 9.22 4.90 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 0.69 0.00 0.00 1.07 0.00 0.00 6 L 9.20 4.96 0.00 1.66 1.69 1.00 0.68 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 7 Y 9.57 4.30 0.00 2.91 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 8 E 8.02 4.05 0.00 1.95 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 1.88 1.47 0.00 9 P 0.00 4.48 0.00 2.46 2.30 0.00 3.73 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 2.09 2.08 0.00 10 E 9.75 4.36 0.00 2.25 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 2.30 2.50 0.00 11 I 7.86 4.51 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.91 0.00 0.00 12 P 0.00 2.97 0.00 1.88 1.59 0.00 3.61 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 1.90 1.93 0.00 13 Q 7.83 3.89 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 14 N 7.93 4.30 0.00 2.97 2.85 0.00 0.00 7.16 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 15 T 7.70 4.07 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 1.54 0.00 0.00 16 G 8.17 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 17 N 7.98 4.38 0.00 2.89 2.82 0.00 0.00 7.01 6.70 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 18 I 7.78 3.71 1.96 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 1.36 0.61 0.81 0.00 0.00 19 I 8.04 3.62 1.77 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 1.41 1.17 0.45 0.00 0.00 20 R 7.78 4.04 0.00 1.85 2.09 0.00 3.17 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 21 L 7.96 3.89 0.00 1.81 1.75 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.14 3.99 0.00 3.13 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 23 A 7.74 3.97 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 24 N 8.57 4.53 0.00 2.81 2.99 0.00 0.00 6.86 7.48 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 25 T 7.51 3.49 3.07 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 0.66 0.00 0.00 26 G 7.99 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 0.00 0.00 0.00 27 F 7.39 4.38 0.00 2.56 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 28 R 8.53 4.46 0.00 1.85 1.80 0.00 3.09 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 29 L 8.48 5.14 0.00 1.79 1.55 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.78 5.61 0.00 3.23 3.39 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.99 5.14 0.00 1.37 1.44 0.84 0.73 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 32 I 8.84 4.58 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.85 0.00 0.00 33 E 8.98 4.49 0.00 1.73 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 34 P 0.00 4.26 0.00 2.13 2.10 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 35 L 7.96 4.43 0.00 1.24 0.67 0.69 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.43 4.06 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 0.00 0.00 0.00 37 F 6.43 4.96 0.00 3.23 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 38 T 8.47 4.30 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 39 W 9.02 4.94 0.00 3.32 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 40 D 7.47 4.51 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.43 4.48 0.00 3.12 2.63 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 42 K 8.58 4.09 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 43 R 8.05 4.03 0.00 1.79 1.90 0.00 3.14 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 44 L 7.47 4.31 0.00 1.47 1.66 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.64 3.91 0.00 2.01 1.98 0.00 3.12 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.91 0.00 46 R 8.09 4.53 0.00 2.02 1.88 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 47 S 7.64 4.12 0.00 3.94 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 0.00 48 G 7.69 3.92 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 0.00 0.00 0.00 49 L 7.07 4.02 0.00 1.56 1.55 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.86 4.51 0.00 2.72 2.58 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 51 Y 7.95 4.81 0.00 3.15 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 52 H 8.37 4.33 0.00 3.34 3.43 0.00 5.66 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 53 E 8.30 4.09 0.00 2.00 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 2.29 2.34 0.00 54 F 8.06 4.94 0.00 3.50 3.23 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 55 A 9.16 4.42 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 56 E 7.85 4.76 0.00 1.85 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 2.22 2.29 0.00 57 I 7.87 4.55 2.09 0.00 0.00 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 1.33 0.87 0.92 0.00 0.00 58 K 8.72 4.59 0.00 1.80 1.67 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.35 7.81 59 R 8.40 5.02 0.00 1.44 1.58 0.00 2.92 0.00 0.00 2.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.08 0.00 60 H 8.92 4.87 0.00 3.10 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.98 4.13 0.00 1.75 1.87 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.40 7.81 62 T 7.45 4.80 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 F 8.83 4.34 0.00 3.40 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.37 3.87 0.00 2.07 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 2.54 2.38 0.00 65 A 7.97 3.96 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 66 F 8.27 3.93 0.00 2.89 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 67 L 7.68 3.28 0.00 1.57 1.42 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.64 3.76 0.00 1.94 2.15 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 2.26 2.24 0.00 69 S 8.17 4.22 0.00 4.00 3.95 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 70 E 7.75 4.06 0.00 1.16 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 2.00 2.17 0.00 71 K 7.39 3.65 0.00 1.64 1.76 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.35 7.81 72 P 0.00 3.81 0.00 1.99 0.98 0.00 3.20 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.46 0.00 73 K 8.31 4.15 0.00 1.97 2.11 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.45 7.81 74 R 8.01 4.68 0.00 2.11 1.62 0.00 3.06 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 75 L 8.53 5.28 0.00 1.69 1.57 1.25 1.02 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 76 F 9.94 5.03 0.00 3.10 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 77 A 8.92 4.95 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 78 L 8.38 4.70 0.00 1.43 1.37 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.12 4.84 4.21 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 1.31 0.00 0.00 80 T 8.87 4.09 4.26 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 1.24 0.00 0.00 81 K 7.93 4.26 0.00 1.77 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.37 7.81 82 G 8.02 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 83 C 8.53 4.46 0.00 2.97 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 84 P 0.00 4.49 0.00 2.31 2.18 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 85 A 9.26 5.23 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 86 H 8.88 4.34 0.00 3.45 3.56 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.51 4.67 0.00 4.00 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 88 Q 7.86 4.30 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 89 V 7.17 4.25 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.06 0.00 0.00 90 K 8.01 4.41 0.00 1.68 1.72 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.34 7.81 91 F 8.76 4.64 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 10.28 4.78 0.00 1.85 1.92 0.00 1.39 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 93 L 8.42 4.10 0.00 1.68 1.67 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.96 4.14 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 0.00 95 D 8.39 5.17 0.00 2.93 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 96 Y 9.41 4.86 0.00 3.09 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 97 L 9.09 5.10 0.00 1.74 1.43 1.05 0.59 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 98 M 9.13 5.10 0.00 2.11 1.96 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 2.69 2.48 0.00 99 F 9.35 5.09 0.00 3.05 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 0.00 100 G 8.72 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 0.00 0.00 0.00 0.00 101 P 0.00 4.72 0.00 2.27 2.19 0.00 3.92 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 102 E 8.73 4.14 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 103 T 7.11 4.54 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 0.00 104 R 7.55 4.41 0.00 1.91 1.93 0.00 3.08 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 105 G 8.27 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 0.00 0.00 0.00 106 I 7.91 3.51 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.43 0.00 0.00 107 P 0.00 4.15 0.00 1.84 1.88 0.00 2.55 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.11 0.00 108 M 8.55 3.99 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 109 S 7.83 4.10 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.34 3.67 1.55 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.20 0.35 0.00 0.00 111 L 7.89 3.96 0.00 1.62 1.66 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.42 4.56 0.00 2.86 2.85 0.00 0.00 6.90 7.24 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 0.00 113 E 8.04 4.59 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 2.25 2.23 0.00 114 M 7.49 4.75 0.00 1.95 1.89 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 2.70 2.43 0.00 115 P 0.00 4.47 0.00 2.34 2.13 0.00 3.63 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 1.96 1.89 0.00 116 M 8.72 3.98 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 117 E 8.16 4.16 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 118 Q 8.23 4.47 0.00 1.73 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.92 0.00 119 K 8.20 4.95 0.00 1.74 1.76 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.34 7.81 120 I 8.88 5.13 1.97 0.00 0.00 1.00 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 1.47 1.08 0.00 0.00 121 R 8.66 5.03 0.00 1.90 2.20 0.00 2.79 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 122 I 8.35 4.54 1.90 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 1.36 0.61 0.91 0.00 0.00 123 P 0.00 4.50 0.00 2.08 2.02 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 124 M 8.04 4.82 0.00 1.96 1.92 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 2.68 2.54 0.00 125 T 8.22 4.26 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 1.22 0.00 0.00 126 A 8.42 3.91 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 0.00 127 N 8.63 4.11 0.00 2.87 2.88 0.00 0.00 7.03 7.57 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 0.00 128 S 7.68 4.60 0.00 3.98 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 0.00 129 R 7.95 4.74 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 130 S 8.50 4.17 0.00 3.99 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 0.00 131 M 8.37 4.29 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 132 N 8.57 4.39 0.00 2.79 2.66 0.00 0.00 6.68 6.66 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 0.00 133 L 8.71 3.91 0.00 1.81 1.68 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.10 4.00 0.00 4.02 4.06 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 0.00 135 N 8.47 4.28 0.00 2.97 2.89 0.00 0.00 6.98 7.26 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 0.00 136 S 8.20 4.11 0.00 4.05 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 0.00 137 V 7.89 2.88 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 0.56 0.00 0.00 -0.01 0.00 0.00 138 A 8.06 3.92 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 0.00 0.00 0.00 0.00 0.00 139 V 7.94 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 0.96 0.00 0.00 1.01 0.00 0.00 140 T 7.98 3.92 4.50 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 1.29 0.00 0.00 141 V 7.77 3.00 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 -0.69 0.00 0.00 0.55 0.00 0.00 142 Y 8.06 4.25 0.00 3.32 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 0.00 143 E 8.29 4.05 0.00 2.29 2.36 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 2.42 2.59 0.00 144 A 8.33 4.10 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 0.00 145 W 8.79 4.56 0.00 3.42 3.26 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 0.00 146 R 8.29 2.51 0.00 2.00 2.13 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 147 Q 7.96 4.06 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.77 0.00 148 L 7.50 4.59 0.00 1.81 1.76 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.53 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 7.54 2.00 0.00 2.82 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 0.00 0.00 0.00 151 K 8.15 4.34 0.00 1.89 1.87 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 152 G 9.13 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 0.00 0.00 0.00 0.00 153 A 7.66 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.80 4.50 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 0.80 0.00 0.00 0.97 0.00 0.00 155 N 8.43 4.62 0.00 2.70 2.77 0.00 0.00 6.87 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 0.00 156 L 8.51 4.09 0.00 1.59 1.58 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00