NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3942 8.4045 120.3487 54.9499 33.4884 175.6886 2 E 4.0810 8.6576 124.4170 56.3130 30.9487 171.0414 3 L 5.1521 8.6525 122.5517 53.0659 45.7410 175.4701 4 T 4.8216 8.9714 115.1050 61.1558 71.0727 172.1498 5 T 5.2816 8.5299 109.2985 60.3019 72.3413 173.0862 6 R 4.7186 8.7432 121.1562 55.1619 34.1697 173.5368 7 T 4.8848 8.4090 121.4079 61.9073 70.3982 174.1068 8 L 4.3905 9.0555 128.2193 53.2283 42.6657 175.5163 9 P 4.5831 0.0000 0.0000 62.2274 32.1419 176.2609 10 A 3.9997 8.6157 122.2310 55.1965 18.2471 178.4567 11 R 4.2654 7.5915 116.6167 54.5576 29.4615 176.2573 12 K 4.2088 8.3582 122.6439 56.7431 33.8528 176.1868 13 H 5.1785 9.7645 121.6235 54.9104 29.9071 173.8984 14 I 4.9833 9.0690 125.6322 59.5774 39.4027 174.8056 15 A 5.2016 8.8709 129.1071 50.3875 21.2648 175.5576 16 L 5.0749 9.0573 122.5981 52.9242 44.6984 175.8952 17 V 4.5890 8.8054 123.6079 61.0951 35.0840 174.0945 18 A 5.4407 8.3567 126.3354 51.0382 22.4638 175.8940 19 H 4.7185 9.3682 118.9602 55.5773 30.2059 176.3501 20 D 4.4057 9.1836 120.7076 58.3592 40.6177 179.0421 21 H 4.4836 8.2227 111.6316 57.3516 28.8507 176.0509 22 C 4.8298 8.4316 117.1169 59.2028 29.3077 175.7357 23 K 4.1353 8.2063 123.8731 60.2690 31.6201 179.7180 24 Q 4.0984 8.0915 120.4954 60.3750 27.9416 180.1693 25 M 4.3264 8.1064 119.7617 58.3702 32.2497 178.0273 26 L 4.2915 8.2826 120.6181 58.2837 42.3641 178.4407 27 M 4.0895 8.4936 119.1888 58.8358 32.0190 178.7274 28 S 4.1603 8.3445 112.9084 61.2063 62.3370 176.0079 29 W 4.1629 8.1500 131.0408 60.4109 30.2440 178.2351 30 V 3.5767 8.1595 117.6513 65.9708 31.1553 177.6226 31 E 4.0685 8.3478 118.4592 59.3657 29.0835 179.2992 32 R 3.8139 7.8388 117.7857 58.5973 30.1775 176.7866 33 H 4.6874 7.1508 114.1459 55.3468 29.4198 175.6486 34 Q 3.8924 7.7523 123.8058 59.2106 28.4398 176.9607 35 P 4.4356 0.0000 0.0000 64.5362 31.5438 177.8394 36 L 4.2406 7.6910 118.4398 57.7892 42.4223 178.5914 37 L 4.1948 8.1739 119.0704 57.7197 41.1386 179.2483 38 E 4.0909 8.6174 118.7581 58.8359 29.1256 178.4152 39 Q 4.3276 7.9266 116.2246 56.5457 29.2824 174.4109 40 H 4.9703 7.8831 116.4774 53.8192 32.6930 173.0833 41 V 4.1820 8.3811 119.1564 61.7710 32.7877 174.5940 42 L 5.2148 8.3209 128.0337 53.8472 43.7376 175.3026 43 Y 5.2482 9.0428 119.7178 56.6943 42.6868 174.0370 44 A 5.1147 8.7254 121.1569 52.2193 23.5583 176.0350 45 T 4.0361 8.5526 109.6372 61.5133 70.5164 175.5085 46 G 3.7980 8.9039 108.9602 49.7784 0.0000 176.3847 47 T 3.8257 7.9127 116.1070 66.0724 68.9111 176.6136 48 T 4.0252 8.1178 117.1654 66.8961 68.4875 176.3033 49 G 3.6592 8.5187 107.4543 48.1517 0.0000 175.4419 50 N 4.3839 8.0793 119.4409 55.7566 38.6667 177.5545 51 L 4.0468 8.1306 120.3872 57.7247 41.6513 179.7428 52 I 3.7589 7.7056 119.5483 64.4212 37.1641 178.3358 53 S 4.4292 7.9381 116.3804 61.0535 62.3074 176.8986 54 R 3.8811 7.8006 120.2898 58.9742 29.9958 178.5189 55 A 4.2557 7.8085 118.1580 53.7892 18.6211 178.0208 56 T 4.3297 8.0989 105.3963 60.5342 70.6708 175.5324 57 G 3.9462 8.5042 109.7614 45.2880 0.0000 173.5915 58 M 4.2540 7.7055 119.4977 54.9943 32.6545 175.0825 59 N 4.6666 8.4461 118.8912 52.4645 39.5284 174.8751 60 V 4.3887 8.0662 122.7803 61.0210 34.4416 175.0412 61 N 4.5849 9.1997 126.0923 52.6780 38.4861 173.3944 62 A 4.7398 8.3160 125.7533 51.8395 19.6580 176.8714 63 M 4.5498 8.7023 124.1449 54.1147 34.9634 176.0347 64 L 4.3200 9.0288 119.4585 54.9474 43.3896 176.9943 65 S 4.3091 8.6652 115.2612 58.4543 63.3494 174.6133 66 G 3.8974 9.1815 114.5731 48.7186 0.0000 173.8228 67 P 4.1994 0.0000 0.0000 64.9520 31.4444 177.2942 68 M 4.2945 8.2481 114.7158 55.0178 32.3640 175.4888 69 G 3.5843 8.2126 109.0646 45.3417 0.0000 176.4791 70 G 3.6533 8.7273 109.0648 48.0718 0.0000 175.5208 71 D 4.2693 8.0127 120.6349 57.3142 40.8178 178.7892 72 Q 3.9891 7.9832 117.8916 58.6276 28.7939 178.4938 73 Q 3.9236 7.9127 119.4667 58.8191 28.6682 178.8521 74 V 3.5693 7.9161 119.3956 65.8782 31.5439 178.0919 75 G 3.6600 8.2929 105.5724 47.8758 0.0000 175.3834 76 A 3.9079 8.1729 123.2970 54.8505 18.4015 179.6710 77 L 3.7805 7.8704 117.4553 57.8455 41.5957 179.8394 78 I 3.5151 7.8960 120.2448 64.3838 36.9084 178.7174 79 S 2.7900 7.7430 113.1018 60.0958 62.7679 175.1733 80 E 4.0870 7.2043 120.0148 55.3183 29.4319 176.5696 81 G 3.6750 7.2504 106.9001 46.0803 0.0000 174.9412 82 K 4.0690 7.7676 118.3607 56.2804 32.6699 176.8266 83 I 4.3431 7.2478 119.3782 59.4399 39.5996 174.6885 84 D 4.8872 9.0352 124.0450 54.5954 43.0426 176.9501 85 V 4.6925 7.6153 117.6931 60.9928 35.5538 173.3776 86 L 4.9160 9.1206 129.7079 53.3316 44.6875 174.8588 87 I 4.7132 8.6565 127.4586 59.6370 39.5667 174.7223 88 F 5.3953 9.5466 130.9051 56.6726 41.9257 173.5877 89 F 5.3227 9.3403 127.1548 56.1405 38.4310 175.0781 90 W 4.6827 7.8992 120.0542 54.6419 30.1335 175.9004 91 D 4.3117 8.9545 121.8285 53.6314 40.6388 174.2130 92 P 4.2904 0.0000 0.0000 63.1715 31.8153 176.2134 93 L 4.6749 8.0436 117.7231 54.2516 42.5355 176.2713 94 N 4.6120 8.0801 116.3877 52.0598 41.0854 174.2459 95 A 4.2236 8.6349 126.6710 52.7590 18.9918 176.5427 96 V 4.6338 7.8297 111.3972 58.8685 35.9207 174.5627 97 P 4.4175 0.0000 0.0000 65.6335 31.6110 178.3439 98 N 4.8542 7.8417 115.8100 52.9369 38.3186 176.6771 99 D 4.3486 8.1353 122.2804 58.1769 41.5661 174.9042 100 P 4.2517 0.0000 0.0000 66.0103 31.2541 178.1301 101 D 4.3423 8.0534 118.2109 56.9365 40.7796 178.6256 102 V 3.7882 7.8046 118.7368 66.2227 31.6171 178.3247 103 K 3.8559 8.1237 117.9086 59.3296 31.8232 179.3000 104 A 4.0256 8.2209 121.2658 54.7304 18.2474 179.5204 105 L 3.8674 8.0850 118.9723 58.4772 42.3240 179.3126 106 L 4.1061 8.0124 118.8967 57.5204 41.3574 179.6201 107 R 3.8587 7.9965 118.9072 59.4706 30.0245 178.5837 108 L 4.0380 7.9591 118.5898 57.8252 41.4796 179.4205 109 A 4.1343 8.1795 120.7080 55.2604 18.3120 179.9746 110 T 3.8787 7.7353 114.0914 66.6514 68.3618 177.1292 111 V 3.3338 7.6339 119.5295 65.8442 31.4737 176.7940 112 W 4.3645 8.3699 116.3665 55.9701 29.1805 175.7355 113 N 4.1466 7.5436 116.1051 54.6930 37.1970 173.3488 114 I 4.6321 7.2207 109.8411 58.3409 40.8019 175.0455 115 P 4.4437 0.0000 0.0000 63.1192 32.1752 175.4192 116 V 5.0158 8.5456 123.6357 60.9694 34.7403 174.2537 117 A 4.9105 9.4619 129.1403 50.3135 21.6831 176.4277 118 T 5.3392 9.0243 110.5713 60.5406 69.7631 173.5850 119 N 4.2223 7.5140 119.3096 50.6594 41.3273 175.2379 120 V 3.4489 7.6370 119.3180 65.9599 31.5559 177.6460 121 A 4.1370 7.8670 119.9992 55.6451 18.2673 179.6351 122 T 3.8378 8.5973 114.3510 66.6273 68.5239 176.8551 123 A 4.0182 8.0618 122.7754 55.2551 18.3547 179.4611 124 D 4.5630 8.8152 117.7441 57.6744 40.7447 178.9583 125 F 3.9080 8.3666 117.0640 60.5459 39.2156 177.5632 126 I 3.9896 8.1681 119.3939 64.5946 36.8169 178.4758 127 I 2.5337 7.6312 117.4974 62.9353 37.7985 176.8456 128 Q 4.2459 7.5568 116.5335 54.9930 29.5399 175.8006 129 S 4.3108 7.5676 117.1571 57.0737 63.2191 172.6906 130 P 4.2578 0.0000 0.0000 66.5743 31.0364 176.6545 131 H 4.8283 8.1541 113.6986 55.5775 28.7099 176.7752 132 F 4.0719 8.5108 124.6292 60.8903 39.2423 175.7043 133 N 4.8681 8.2857 114.8690 52.9769 38.5730 173.6058 134 D 5.1383 7.5458 117.2834 52.1363 44.3524 175.3692 135 A 5.1692 8.6349 121.9239 50.9614 19.6584 177.4239 136 V 4.4947 8.0460 120.6535 60.2522 35.0298 174.0706 137 D 5.2747 8.7100 122.8379 54.0827 42.1503 175.6321 138 I 4.7840 8.6028 113.7748 59.1083 41.4441 174.2357 139 L 4.9214 8.5646 124.0906 54.4908 42.5652 176.2059 140 I 4.8950 8.8787 116.7489 57.9886 41.3564 173.0925 141 P 4.3947 0.0000 0.0000 63.1590 32.1355 176.8294 142 D 4.6862 8.9384 122.0601 52.8258 40.0982 176.2315 143 Y 4.2073 8.6013 126.0219 60.7318 38.9428 177.2312 144 Q 4.1178 8.6068 120.5422 60.1061 28.9096 180.3649 145 R 3.9363 8.3047 121.1101 61.4771 29.1812 180.1116 146 Y 4.1674 8.1367 120.3892 60.4519 38.8017 178.0217 147 L 3.4304 8.3585 121.6103 57.7483 41.9268 178.5460 148 A 3.8826 7.6301 119.5949 55.3795 18.4869 178.5409 149 D 4.3396 7.7976 116.2195 57.7568 40.9130 178.9447 150 R 3.8138 7.0284 117.2615 58.8945 30.0522 178.0691 151 L 4.3994 7.4384 116.0316 54.5109 41.7018 176.8964 152 K 4.1089 7.5260 126.7162 56.4776 32.2613 175.6583 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 4.39 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 E 8.66 4.08 0.00 1.78 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 2.31 1.98 0.00 3 L 8.65 5.15 0.00 1.49 1.58 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.97 4.82 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 1.33 0.00 0.00 5 T 8.53 5.28 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 6 R 8.74 4.72 0.00 1.93 1.78 0.00 3.01 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 7 T 8.41 4.88 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 1.23 0.00 0.00 8 L 9.06 4.39 0.00 1.53 1.56 0.92 0.89 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 4.58 0.00 2.17 2.07 0.00 3.78 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 2.10 2.03 0.00 10 A 8.62 4.00 1.33 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 0.00 0.00 0.00 11 R 7.59 4.27 0.00 1.76 1.86 0.00 3.18 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 12 K 8.36 4.21 0.00 1.44 1.58 0.00 1.46 0.00 0.00 1.79 0.00 0.00 2.51 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 0.44 7.81 13 H 9.76 5.18 0.00 3.17 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.07 4.98 2.03 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 1.07 0.00 0.00 15 A 8.87 5.20 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 9.06 5.07 0.00 1.57 1.55 1.02 0.57 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 17 V 8.81 4.59 1.48 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 0.58 0.00 0.00 0.64 0.00 0.00 18 A 8.36 5.44 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 19 H 9.37 4.72 0.00 3.27 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.18 4.41 0.00 2.65 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 21 H 8.22 4.48 0.00 3.37 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.43 4.83 0.00 3.24 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 0.00 23 K 8.21 4.14 0.00 2.00 1.92 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.73 7.81 24 Q 8.09 4.10 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 25 M 8.11 4.33 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 26 L 8.28 4.29 0.00 1.95 1.91 0.58 0.76 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 27 M 8.49 4.09 0.00 2.09 2.34 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 2.68 3.07 0.00 28 S 8.34 4.16 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.15 4.16 0.00 3.74 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.58 2.33 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 0.94 0.00 0.00 1.23 0.00 0.00 31 E 8.35 4.07 0.00 2.18 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 2.33 2.57 0.00 32 R 7.84 3.81 0.00 1.68 1.83 0.00 3.08 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.45 0.00 33 H 7.15 4.69 0.00 2.49 2.80 0.00 5.69 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.75 3.89 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 35 P 0.00 4.44 0.00 2.02 2.09 0.00 3.63 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 36 L 7.69 4.24 0.00 1.71 1.75 1.12 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.17 4.19 0.00 1.71 1.76 0.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.62 4.09 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.67 0.00 39 Q 7.93 4.33 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 40 H 7.88 4.97 0.00 3.11 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.38 4.18 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 0.91 0.00 0.00 0.88 0.00 0.00 42 L 8.32 5.21 0.00 1.74 1.58 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.04 5.25 0.00 2.84 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 44 A 8.73 5.11 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 45 T 8.55 4.04 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 1.13 0.00 0.00 46 G 8.90 3.80 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 0.00 0.00 0.00 47 T 7.91 3.83 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 8.12 4.03 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 1.29 0.00 0.00 49 G 8.52 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 50 N 8.08 4.38 0.00 2.80 2.89 0.00 0.00 7.13 6.36 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 51 L 8.13 4.05 0.00 1.87 1.75 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.71 3.76 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 1.09 0.94 0.00 0.00 53 S 7.94 4.43 0.00 4.11 4.13 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 54 R 7.80 3.88 0.00 2.04 2.04 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 55 A 7.81 4.26 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 56 T 8.10 4.33 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 1.26 0.00 0.00 57 G 8.50 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 0.00 0.00 0.00 58 M 7.71 4.25 0.00 2.13 1.99 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 2.61 2.50 0.00 59 N 8.45 4.67 0.00 2.66 2.70 0.00 0.00 6.65 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 60 V 8.07 4.39 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 0.81 0.00 0.00 0.98 0.00 0.00 61 N 9.20 4.58 0.00 2.12 2.65 0.00 0.00 6.48 8.47 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 62 A 8.32 4.74 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 8.70 4.55 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 64 L 9.03 4.32 0.00 1.72 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.67 4.31 0.00 3.92 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 66 G 9.18 3.90 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 0.00 0.00 0.00 67 P 0.00 4.20 0.00 2.07 2.16 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 68 M 8.25 4.29 0.00 2.01 2.10 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 2.57 2.48 0.00 69 G 8.21 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 70 G 8.73 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 71 D 8.01 4.27 0.00 2.72 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 7.98 3.99 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 73 Q 7.91 3.92 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 74 V 7.92 3.57 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 0.98 0.00 0.00 0.91 0.00 0.00 75 G 8.29 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 76 A 8.17 3.91 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 77 L 7.87 3.78 0.00 1.70 1.48 0.76 0.61 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 7.90 3.52 1.97 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 1.49 0.64 0.90 0.00 0.00 79 S 7.74 2.79 0.00 3.83 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 7.20 4.09 0.00 1.88 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 2.08 2.26 0.00 81 G 7.25 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 82 K 7.77 4.07 0.00 1.66 1.60 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.22 7.81 83 I 7.25 4.34 1.71 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.82 0.00 0.00 84 D 9.04 4.89 0.00 2.47 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 85 V 7.62 4.69 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.98 0.00 0.00 86 L 9.12 4.92 0.00 1.78 1.53 0.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.66 4.71 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.87 0.03 0.00 0.00 88 F 9.55 5.40 0.00 2.93 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 89 F 9.34 5.32 0.00 3.00 2.83 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 0.00 0.00 0.00 90 W 7.90 4.68 0.00 3.09 1.92 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 91 D 8.95 4.31 0.00 2.80 2.78 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 92 P 0.00 4.29 0.00 1.86 1.15 0.00 3.46 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 93 L 8.04 4.67 0.00 1.54 1.60 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.08 4.61 0.00 2.87 2.74 0.00 0.00 7.00 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 8.63 4.22 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 96 V 7.83 4.63 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 0.79 0.00 0.00 1.05 0.00 0.00 97 P 0.00 4.42 0.00 2.05 2.12 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 98 N 7.84 4.85 0.00 3.16 3.05 0.00 0.00 5.84 8.07 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 99 D 8.14 4.35 0.00 2.91 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 0.00 100 P 0.00 4.25 0.00 2.30 2.29 0.00 3.80 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 8.05 4.34 0.00 3.00 2.78 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 0.00 102 V 7.80 3.79 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 0.70 0.00 0.00 1.22 0.00 0.00 103 K 8.12 3.86 0.00 1.82 1.78 0.00 1.29 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.35 1.35 7.81 104 A 8.22 4.03 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 0.00 105 L 8.09 3.87 0.00 1.90 1.94 0.89 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.01 4.11 0.00 1.69 1.69 0.58 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.00 3.86 0.00 2.02 2.07 0.00 3.08 0.00 0.00 3.15 7.55 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 7.96 4.04 0.00 1.95 1.86 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.18 4.13 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 7.74 3.88 4.45 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 1.19 0.00 0.00 111 V 7.63 3.33 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 -0.07 0.00 0.00 0.83 0.00 0.00 112 W 8.37 4.36 0.00 3.33 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 0.00 113 N 7.54 4.15 0.00 2.79 2.95 0.00 0.00 6.97 7.87 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 0.00 114 I 7.22 4.63 2.12 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 1.31 0.86 1.01 0.00 0.00 115 P 0.00 4.44 0.00 2.21 2.15 0.00 3.88 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 2.19 2.16 0.00 116 V 8.55 5.02 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 0.90 0.00 0.00 1.05 0.00 0.00 117 A 9.46 4.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 9.02 5.34 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 1.43 0.00 0.00 119 N 7.51 4.22 0.00 2.66 2.63 0.00 0.00 5.82 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 7.64 3.45 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 1.34 0.00 0.00 0.71 0.00 0.00 121 A 7.87 4.14 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 0.00 122 T 8.60 3.84 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 1.24 0.00 0.00 123 A 8.06 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.82 4.56 0.00 3.10 2.86 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 0.00 125 F 8.37 3.91 0.00 3.25 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.17 3.99 2.11 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 1.54 0.85 1.13 0.00 0.00 127 I 7.63 2.53 1.85 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.73 0.00 0.00 128 Q 7.56 4.25 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 129 S 7.57 4.31 0.00 4.24 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.26 0.00 2.19 2.20 0.00 3.82 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 1.89 1.98 0.00 131 H 8.15 4.83 0.00 3.28 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.51 4.07 0.00 3.27 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 0.00 133 N 8.29 4.87 0.00 2.83 2.88 0.00 0.00 6.71 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 7.55 5.14 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.63 5.17 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 8.05 4.49 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 0.83 0.00 0.00 0.96 0.00 0.00 137 D 8.71 5.27 0.00 2.60 2.65 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 0.00 138 I 8.60 4.78 1.92 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 1.41 0.84 0.95 0.00 0.00 139 L 8.56 4.92 0.00 1.57 1.65 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.88 4.89 2.19 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 1.49 1.14 1.14 0.00 0.00 141 P 0.00 4.39 0.00 1.75 1.78 0.00 3.51 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.99 0.00 142 D 8.94 4.69 0.00 2.80 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 0.00 143 Y 8.60 4.21 0.00 3.42 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 0.00 144 Q 8.61 4.12 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.68 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 145 R 8.30 3.94 0.00 1.84 1.94 0.00 3.27 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 1.56 1.51 0.00 146 Y 8.14 4.17 0.00 2.97 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 0.00 147 L 8.36 3.43 0.00 1.12 1.51 0.84 0.92 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 7.63 3.88 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 0.00 149 D 7.80 4.34 0.00 2.66 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 0.00 150 R 7.03 3.81 0.00 1.77 1.78 0.00 3.17 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.05 0.00 151 L 7.44 4.40 0.00 1.56 1.64 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 7.53 4.11 0.00 1.64 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.30 7.81