NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3680 8.4045 120.3493 54.9606 33.0900 175.2921 2 E 4.1147 8.5491 121.7546 56.0545 30.7165 175.2350 3 L 4.8059 8.7317 124.5599 52.7259 45.4187 175.7361 4 T 4.7323 9.0344 115.1374 61.4315 70.9194 172.1590 5 T 5.3125 8.5229 109.0531 60.4195 72.3652 172.9623 6 R 4.7542 8.7266 121.0062 55.2523 34.3680 173.4897 7 T 5.0820 8.3284 119.7644 61.6325 70.7431 174.0611 8 L 4.3503 8.8154 127.9833 53.4788 42.6826 175.5708 9 P 4.5662 0.0000 0.0000 62.2615 32.1423 176.2682 10 A 4.0711 8.5040 121.8808 54.3753 18.4157 178.1023 11 R 4.2027 7.7240 116.3031 55.2717 30.5380 175.6046 12 K 4.5418 8.6026 124.8637 55.8488 34.6382 175.7677 13 H 5.2545 9.6780 120.9262 54.8872 30.2072 173.9926 14 I 5.0036 9.3428 125.4566 59.5382 39.5214 174.7365 15 A 5.1846 9.0340 129.2433 50.4046 21.2163 175.5224 16 L 4.9964 9.2169 123.1383 52.9220 44.5111 175.9063 17 V 4.7250 8.8712 123.6638 61.0712 35.0437 174.0823 18 A 5.3571 8.3777 126.6247 50.9018 22.4111 175.7843 19 H 4.7094 9.4082 119.1167 55.5803 29.9939 176.3615 20 D 4.4389 9.1897 121.1219 58.3217 40.6744 179.1111 21 H 4.5067 8.2296 112.3623 57.5435 29.1831 176.1213 22 C 4.7802 8.4157 117.1569 59.3459 28.5230 175.6194 23 K 4.1587 8.0887 124.9453 60.2981 31.6587 179.8366 24 Q 4.0818 8.1383 120.5233 60.1792 28.0474 179.8556 25 M 4.2999 8.1329 119.3783 58.8050 32.3452 178.0246 26 L 4.2047 8.1869 120.2112 58.3117 42.1535 178.6183 27 M 4.1097 8.5120 119.0412 58.6962 31.9104 178.8458 28 S 4.1682 8.3050 115.0124 61.4164 62.8326 176.5397 29 W 4.2240 8.1947 129.6541 60.5624 30.7010 177.8245 30 V 3.6291 8.5784 118.4772 66.1176 31.0547 177.8241 31 E 3.9376 8.4714 118.5913 59.4554 29.0721 179.3446 32 R 3.8872 8.1473 118.0453 58.6235 30.1625 176.7716 33 H 4.6389 7.2632 113.8963 55.2154 29.6298 175.3305 34 Q 3.8806 7.7705 122.8626 59.2254 28.4139 176.9136 35 P 4.1842 0.0000 0.0000 65.7290 31.6037 177.9386 36 L 4.1784 7.7389 118.2650 58.0799 42.1770 178.7279 37 L 4.1825 8.1947 119.1433 57.7442 41.3052 179.1390 38 E 4.0693 8.3152 117.6759 58.6553 29.4331 178.4106 39 Q 4.2376 7.8514 116.6570 56.8934 29.2592 174.3338 40 H 5.0125 8.0572 116.5119 53.8035 32.8321 172.8130 41 V 4.2149 8.5140 119.1393 61.8476 32.8420 174.6525 42 L 5.2697 8.3606 127.7572 53.5796 44.0645 175.1433 43 Y 5.2239 9.3106 119.8501 56.6550 42.4815 174.1745 44 A 5.3323 8.7946 121.7309 51.9502 23.5543 175.9468 45 T 4.0199 8.6149 109.7246 61.2820 70.5509 175.0769 46 G 3.8128 8.9788 105.9921 49.0437 0.0000 176.1608 47 T 3.8852 7.7341 116.1408 66.0548 69.0081 176.6767 48 T 4.0030 8.0927 117.2574 66.8598 68.5361 176.3521 49 G 3.7415 8.4590 107.5813 48.1927 0.0000 175.3702 50 N 4.4209 8.0716 118.4937 55.8749 38.5573 177.6255 51 L 4.0361 8.1060 120.5040 57.6902 41.7170 179.5165 52 I 3.7037 7.9036 119.9705 64.5368 37.0675 178.6811 53 S 4.5159 8.2203 118.7835 61.7026 62.5299 177.3249 54 R 3.9083 7.9994 123.1577 60.6094 29.1694 180.4890 55 A 4.5895 7.7778 119.0148 53.6721 19.4797 178.5014 56 T 4.4118 8.3979 106.2435 60.7781 70.1127 175.8792 57 G 3.9094 8.1648 109.3804 45.8827 0.0000 173.8304 58 M 4.1942 7.7659 119.7765 54.8016 32.6327 175.0302 59 N 4.6804 8.4666 120.0400 52.6853 39.4506 174.3696 60 V 4.4184 8.0668 125.4123 61.0814 34.4656 175.0103 61 N 4.6028 8.9248 125.9459 52.5777 38.5164 173.5922 62 A 4.6975 8.3575 125.7809 51.9733 19.4727 176.7166 63 M 4.6872 8.8018 123.3508 53.9442 35.5733 175.7115 64 L 4.2695 8.8764 119.5825 55.0214 43.3283 177.0029 65 S 4.3832 8.6432 115.2368 58.5114 63.4344 175.0510 66 G 3.7809 9.0636 112.0498 47.9153 0.0000 174.2832 67 P 4.1863 0.0000 0.0000 64.6091 31.3919 177.5952 68 M 4.4065 8.0687 114.7496 54.8164 32.6358 175.5124 69 G 3.6233 8.0221 108.8802 45.3195 0.0000 176.4277 70 G 3.6815 8.7087 108.8862 48.1650 0.0000 175.5685 71 D 4.2962 8.0244 120.5274 57.1975 40.8059 178.6500 72 Q 4.0357 7.9733 117.9764 58.5285 28.8181 178.4178 73 Q 3.9285 7.9160 119.5348 58.8676 28.7180 178.8310 74 V 3.5763 7.8366 119.4473 65.8223 31.5722 178.2532 75 G 3.5605 8.1985 105.3500 47.6745 0.0000 175.4489 76 A 3.9211 8.2315 123.5093 54.9444 18.3371 179.6875 77 L 3.7666 7.7495 117.4358 57.8985 41.6181 179.8956 78 I 3.5219 7.7424 120.0184 64.3092 36.8533 178.6623 79 S 2.7900 7.6340 113.4840 60.1503 62.9270 175.2853 80 E 4.0301 7.3391 120.1184 55.5859 29.4638 176.8840 81 G 3.6490 7.0813 107.1233 45.9398 0.0000 174.6295 82 K 4.1441 7.8845 117.4867 55.9742 32.6100 176.6579 83 I 4.4023 7.2044 119.5921 59.5044 39.9055 174.6638 84 D 4.8884 9.0020 124.1700 54.6849 42.8387 176.9535 85 V 4.7226 7.6168 117.6135 61.0589 35.5416 173.2746 86 L 5.0533 9.0081 129.0522 53.4198 44.9143 174.9771 87 I 4.5834 8.8182 128.1255 59.8125 39.0863 174.5028 88 F 5.3547 9.4240 131.5187 56.6148 41.1301 173.4249 89 F 5.6128 9.3162 126.5772 56.1192 38.0668 174.8882 90 W 4.4502 7.8617 119.5530 54.9360 30.0408 176.1848 91 D 4.3997 9.0910 121.8820 53.1953 40.2518 174.0743 92 P 4.5485 0.0000 0.0000 63.1095 31.6247 176.2834 93 L 4.8126 8.2410 118.0193 54.2425 42.5789 175.8146 94 N 4.9032 7.9385 114.2831 51.8704 42.5268 173.9205 95 A 4.3492 8.5899 125.8224 51.6131 19.5654 177.0437 96 V 4.5046 8.0794 116.3184 58.5189 34.0254 175.3260 97 P 4.2953 0.0000 0.0000 65.7024 31.6111 176.8011 98 H 4.9005 8.0898 114.8177 55.3984 29.9535 176.7283 99 D 4.2859 7.7577 123.4638 58.1899 41.0839 175.1963 100 P 4.2438 0.0000 0.0000 66.0223 31.1797 178.1369 101 D 4.3302 8.0617 118.1672 56.9635 40.7728 178.6698 102 V 3.7676 7.6030 118.3269 66.1969 31.6324 178.3638 103 K 3.8500 8.0954 117.9297 59.1929 31.8192 179.3223 104 A 3.9917 8.2332 121.4359 54.8815 18.3089 179.4500 105 L 3.8923 8.0958 118.9007 58.4535 42.3205 179.3226 106 L 4.1255 7.9861 118.8665 57.5666 41.4202 179.5697 107 R 3.8905 8.0081 118.9643 59.3895 29.9596 178.6135 108 L 4.0550 8.1067 118.6548 57.7592 41.3262 179.3449 109 A 4.0916 8.2191 120.7385 55.3090 18.1042 179.9243 110 T 3.9075 7.7596 114.0731 66.6212 68.3704 177.3065 111 V 3.3495 7.6609 119.5591 65.6869 31.5406 176.6676 112 W 4.4143 8.3154 116.7278 55.8489 29.2304 175.7014 113 N 4.1532 7.5648 116.6795 54.8143 37.1937 173.3193 114 I 4.6795 7.1985 109.4901 58.2362 41.0102 175.1174 115 P 4.4468 0.0000 0.0000 63.2042 32.2269 175.4032 116 V 5.0938 8.5302 123.3164 60.9981 34.6897 174.2066 117 A 4.9305 9.2977 129.3078 50.4176 21.5164 176.4560 118 T 5.3319 9.0756 110.7141 60.6940 70.0476 173.8532 119 N 4.2550 7.4697 119.2765 50.3526 41.4727 175.1404 120 V 3.3781 7.5969 119.8408 66.0036 31.5371 177.7283 121 A 4.1028 7.8727 119.8982 55.8214 18.2254 179.6815 122 T 3.8709 8.6023 114.2482 66.4751 68.4680 177.0024 123 A 3.9722 8.0106 122.8964 55.2190 18.3603 179.4382 124 D 4.5882 8.7983 117.8808 57.7444 40.7363 179.0313 125 F 3.9761 8.3475 117.1674 60.4652 39.2069 177.6594 126 I 4.0003 7.9904 119.4831 64.5293 36.8633 178.3434 127 I 2.6824 7.7111 117.3007 62.7589 37.8281 176.7776 128 Q 4.2859 7.4832 116.2744 55.1254 29.6665 175.8463 129 S 4.2669 7.4668 116.7419 57.2665 63.1432 172.9392 130 P 4.2534 0.0000 0.0000 66.2900 31.1644 176.5407 131 H 5.1760 7.9591 113.6386 54.8737 28.7132 176.8191 132 F 4.2040 8.3524 125.1631 60.8131 39.2405 175.7304 133 N 4.9287 8.2606 114.9703 52.9576 38.7989 173.6211 134 D 5.0682 7.6488 118.4733 52.3337 44.3561 175.0421 135 A 5.2521 8.6131 121.7010 50.8581 19.7519 177.3963 136 V 4.4711 8.1105 120.3535 59.8891 35.2278 174.1756 137 D 5.1701 8.7924 123.7546 53.7724 41.7348 175.7162 138 I 4.6787 8.5649 116.9190 58.9026 41.0202 174.6181 139 L 4.9718 8.4665 123.7954 54.3782 42.7043 176.1537 140 I 4.9069 8.8875 116.2024 58.1277 41.5614 172.7764 141 P 4.5104 0.0000 0.0000 63.0965 32.1846 176.7527 142 D 4.6754 10.0423 122.9213 53.3024 40.6679 176.3917 143 Y 4.2278 8.7224 129.9768 61.1877 39.0790 177.8831 144 Q 4.0467 8.5069 123.5607 61.2123 28.0562 181.4427 145 R 4.1443 8.1725 122.3442 61.1150 29.2585 179.8977 146 Y 4.1458 7.7452 119.2346 60.5424 39.1318 177.7046 147 L 3.6730 8.1929 121.2859 57.9787 42.3215 178.5835 148 A 3.9567 7.9724 120.6983 55.4071 17.9450 179.3356 149 D 4.3597 7.4264 116.4056 57.2646 40.9878 178.7781 150 R 3.9368 7.5269 117.5077 57.7665 30.1132 176.6165 151 L 4.2490 7.1735 121.7716 54.6749 41.8769 176.0848 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 8.40 4.37 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 E 8.55 4.11 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.98 0.00 3 L 8.73 4.81 0.00 1.49 1.58 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.03 4.73 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 1.30 0.00 0.00 5 T 8.52 5.31 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 1.23 0.00 0.00 6 R 8.73 4.75 0.00 1.93 1.80 0.00 3.01 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 7 T 8.33 5.08 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 8 L 8.82 4.35 0.00 1.58 1.56 0.94 1.09 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 9 P 0.00 4.57 0.00 2.28 2.06 0.00 3.89 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 2.11 2.01 0.00 10 A 8.50 4.07 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 11 R 7.72 4.20 0.00 1.73 1.79 0.00 3.17 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 12 K 8.60 4.54 0.00 1.53 1.59 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.52 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 0.59 7.81 13 H 9.68 5.25 0.00 3.18 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.34 5.00 2.03 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 1.07 0.00 0.00 15 A 9.03 5.18 1.18 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 0.00 0.00 16 L 9.22 5.00 0.00 1.55 1.55 1.01 0.69 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 17 V 8.87 4.72 1.75 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 0.77 0.00 0.00 0.68 0.00 0.00 18 A 8.38 5.36 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 19 H 9.41 4.71 0.00 3.25 3.33 0.00 5.68 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 20 D 9.19 4.44 0.00 2.67 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 21 H 8.23 4.51 0.00 3.36 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.42 4.78 0.00 3.25 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 23 K 8.09 4.16 0.00 1.98 1.92 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.70 7.81 24 Q 8.14 4.08 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 25 M 8.13 4.30 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 26 L 8.19 4.20 0.00 1.86 1.87 0.29 0.93 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 27 M 8.51 4.11 0.00 2.11 2.35 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 2.68 3.04 0.00 28 S 8.31 4.17 0.00 4.15 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 29 W 8.19 4.22 0.00 3.59 3.61 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 0.00 0.00 0.00 0.00 30 V 8.58 3.63 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 1.01 0.00 0.00 1.20 0.00 0.00 31 E 8.47 3.94 0.00 2.18 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 2.33 2.42 0.00 32 R 8.15 3.89 0.00 1.97 1.61 0.00 3.13 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 33 H 7.26 4.64 0.00 2.47 2.84 0.00 5.70 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.77 3.88 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 35 P 0.00 4.18 0.00 2.02 2.09 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 36 L 7.74 4.18 0.00 1.75 1.76 1.19 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.19 4.18 0.00 1.70 1.74 0.77 1.32 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 38 E 8.32 4.07 0.00 2.06 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 2.34 2.35 0.00 39 Q 7.85 4.24 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.64 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 40 H 8.06 5.01 0.00 3.07 3.52 0.00 5.64 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 41 V 8.51 4.21 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 0.91 0.00 0.00 0.90 0.00 0.00 42 L 8.36 5.27 0.00 1.60 1.58 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.31 5.22 0.00 2.93 2.81 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 44 A 8.79 5.33 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 45 T 8.61 4.02 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 1.15 0.00 0.00 46 G 8.98 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 T 7.73 3.89 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 48 T 8.09 4.00 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 1.30 0.00 0.00 49 G 8.46 3.74 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 0.00 0.00 0.00 50 N 8.07 4.42 0.00 2.99 2.89 0.00 0.00 7.08 6.64 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 51 L 8.11 4.04 0.00 1.87 1.74 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.90 3.70 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.68 0.94 0.00 0.00 53 S 8.22 4.52 0.00 4.12 4.12 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 0.00 0.00 0.00 54 R 8.00 3.91 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 55 A 7.78 4.59 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 56 T 8.40 4.41 4.39 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 0.00 0.00 1.22 0.00 0.00 57 G 8.16 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 58 M 7.77 4.19 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 59 N 8.47 4.68 0.00 2.65 2.69 0.00 0.00 6.73 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.07 4.42 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 0.87 0.00 0.00 0.93 0.00 0.00 61 N 8.92 4.60 0.00 2.15 2.64 0.00 0.00 6.52 8.11 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 62 A 8.36 4.70 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 63 M 8.80 4.69 0.00 2.04 2.03 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 2.58 2.79 0.00 64 L 8.88 4.27 0.00 1.73 1.58 0.91 0.77 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 65 S 8.64 4.38 0.00 3.90 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 66 G 9.06 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 67 P 0.00 4.19 0.00 1.96 2.00 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 68 M 8.07 4.41 0.00 1.97 2.08 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 2.55 2.52 0.00 69 G 8.02 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 70 G 8.71 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.02 4.30 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.97 4.04 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 73 Q 7.92 3.93 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 74 V 7.84 3.58 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 0.88 0.00 0.00 0.92 0.00 0.00 75 G 8.20 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 76 A 8.23 3.92 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 77 L 7.75 3.77 0.00 1.69 1.46 0.69 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.74 3.52 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.92 0.00 0.00 79 S 7.63 2.79 0.00 3.86 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 80 E 7.34 4.03 0.00 1.89 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 0.00 2.12 2.16 0.00 81 G 7.08 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.88 4.14 0.00 1.58 1.60 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.21 7.81 83 I 7.20 4.40 1.71 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 1.05 0.62 0.85 0.00 0.00 84 D 9.00 4.89 0.00 2.51 2.69 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 85 V 7.62 4.72 2.21 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 1.27 0.00 0.00 1.03 0.00 0.00 86 L 9.01 5.05 0.00 1.79 1.52 0.83 0.81 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 87 I 8.82 4.58 1.63 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.04 0.00 0.00 88 F 9.42 5.35 0.00 2.99 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 89 F 9.32 5.61 0.00 2.96 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 90 W 7.86 4.45 0.00 2.98 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 9.09 4.40 0.00 2.81 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 92 P 0.00 4.55 0.00 1.89 1.11 0.00 3.49 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 93 L 8.24 4.81 0.00 1.53 1.60 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.94 4.90 0.00 2.88 2.72 0.00 0.00 7.06 7.35 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 95 A 8.59 4.35 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 96 V 8.08 4.50 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 0.73 0.00 0.00 0.87 0.00 0.00 97 P 0.00 4.30 0.00 2.22 2.22 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 98 H 8.09 4.90 0.00 3.55 3.53 0.00 5.47 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.76 4.29 0.00 2.87 2.69 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 0.00 100 P 0.00 4.24 0.00 2.30 2.29 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 101 D 8.06 4.33 0.00 3.03 2.81 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 0.00 102 V 7.60 3.77 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 0.65 0.00 0.00 1.09 0.00 0.00 103 K 8.10 3.85 0.00 1.81 1.77 0.00 1.28 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.35 1.34 7.81 104 A 8.23 3.99 1.39 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 0.00 0.00 0.00 0.00 0.00 105 L 8.10 3.89 0.00 1.84 1.93 0.84 -0.02 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 0.00 106 L 7.99 4.13 0.00 1.68 1.68 0.40 1.04 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 0.00 107 R 8.01 3.89 0.00 2.04 2.07 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 L 8.11 4.06 0.00 1.95 1.84 1.02 0.85 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 0.00 109 A 8.22 4.09 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 0.00 110 T 7.76 3.91 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 111 V 7.66 3.35 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 0.01 0.00 0.00 0.81 0.00 0.00 112 W 8.32 4.41 0.00 3.44 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 0.00 113 N 7.56 4.15 0.00 2.72 2.94 0.00 0.00 6.94 8.08 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 0.00 114 I 7.20 4.68 2.14 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 1.31 0.89 1.06 0.00 0.00 115 P 0.00 4.45 0.00 2.22 2.15 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 116 V 8.53 5.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.07 0.00 0.00 117 A 9.30 4.93 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 0.00 118 T 9.08 5.33 4.36 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 1.45 0.00 0.00 119 N 7.47 4.25 0.00 2.63 2.58 0.00 0.00 5.83 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.60 3.38 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 1.23 0.00 0.00 0.71 0.00 0.00 121 A 7.87 4.10 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 0.00 122 T 8.60 3.87 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 1.23 0.00 0.00 123 A 8.01 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.80 4.59 0.00 3.13 2.88 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 0.00 125 F 8.35 3.98 0.00 3.21 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 0.00 126 I 7.99 4.00 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.11 1.09 0.00 0.00 127 I 7.71 2.68 1.87 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.79 0.00 0.00 128 Q 7.48 4.29 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 129 S 7.47 4.27 0.00 4.16 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.25 0.00 2.05 2.14 0.00 3.81 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 1.84 1.94 0.00 131 H 7.96 5.18 0.00 3.28 3.35 0.00 5.90 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.35 4.20 0.00 3.13 3.19 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 0.00 133 N 8.26 4.93 0.00 2.80 2.85 0.00 0.00 6.77 8.06 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 0.00 134 D 7.65 5.07 0.00 2.64 2.56 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 0.00 135 A 8.61 5.25 1.20 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 0.00 0.00 136 V 8.11 4.47 2.08 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 0.78 0.00 0.00 0.95 0.00 0.00 137 D 8.79 5.17 0.00 2.59 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 0.00 138 I 8.56 4.68 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.95 0.00 0.00 139 L 8.47 4.97 0.00 1.57 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.89 4.91 2.21 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 1.15 0.00 0.00 141 P 0.00 4.51 0.00 1.77 1.79 0.00 3.43 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.06 0.00 142 D 10.04 4.68 0.00 2.79 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 0.00 143 Y 8.72 4.23 0.00 3.38 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 0.00 144 Q 8.51 4.05 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 8.17 4.14 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 146 Y 7.75 4.15 0.00 2.90 3.03 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 0.00 147 L 8.19 3.67 0.00 1.05 1.33 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.97 3.96 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 0.00 149 D 7.43 4.36 0.00 2.71 2.59 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 0.00 150 R 7.53 3.94 0.00 1.68 1.82 0.00 3.02 0.00 0.00 2.57 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.11 0.00 151 L 7.17 4.25 0.00 1.63 1.51 0.89 0.76 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