NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4103 8.2893 120.3486 55.3829 33.1277 174.7049 2 N 4.6840 8.5838 123.9675 51.3782 39.0001 172.9890 3 I 4.5917 8.7876 121.0282 59.6059 41.9402 176.2980 4 I 4.3630 8.3408 124.0945 59.6274 38.4623 175.0987 5 K 4.4437 8.5903 124.8592 54.3877 33.9939 176.3363 6 A 4.5327 8.3827 126.4964 50.8910 20.4044 175.0571 7 N 5.0598 8.1873 116.7529 51.9377 41.5549 175.5442 8 V 3.8600 8.1745 113.9803 62.5516 32.2982 176.7336 9 A 4.2030 8.1265 123.6290 51.9961 18.7879 178.0096 10 A 4.6342 8.3969 122.4649 51.2563 21.6896 174.0835 11 P 4.7120 0.0000 0.0000 64.7866 32.1911 178.8460 12 D 4.6586 8.0568 115.6379 54.2710 40.5791 175.8783 13 A 4.5665 7.6501 124.5924 52.0084 20.0194 178.3171 14 R 4.8201 9.5335 120.4788 55.1141 32.8421 175.8332 15 V 4.9414 8.8741 124.3799 60.0130 34.7568 173.9694 16 A 4.8837 8.4906 128.4900 50.0836 21.5426 175.2651 17 I 4.8214 8.7014 123.4235 59.5307 39.5864 174.6694 18 T 4.8768 8.6310 117.7045 59.9429 70.8933 173.3711 19 I 5.2266 8.3899 126.3448 58.1475 40.8272 174.4057 20 A 5.0986 8.4369 127.7627 51.2129 19.2502 177.9715 21 R 4.4413 9.2813 119.7583 58.4378 30.2425 176.9474 22 F 4.6240 8.2065 121.5062 59.8899 39.6929 174.3359 23 N 4.6666 9.8643 123.8872 54.5189 35.5716 176.1337 24 Q 4.1557 8.2669 120.2133 59.4057 28.0728 177.8974 25 F 3.8958 8.4971 121.5596 61.2408 39.4199 176.4770 26 I 4.1972 8.3033 118.7429 63.8430 37.5561 177.8173 27 N 4.3766 8.2767 116.6556 56.2921 38.2848 176.9471 28 D 4.4729 8.7831 120.8887 57.6274 41.0079 178.8306 29 S 4.0685 7.9667 112.9988 61.0369 62.3784 175.4094 30 L 4.0649 7.8166 123.2628 58.5218 41.6586 178.4895 31 L 3.8497 8.2890 120.4352 57.8633 42.0543 178.3733 32 D 4.5145 8.4457 118.6832 57.5365 40.8729 179.7959 33 G 3.5427 8.1785 105.5316 47.7431 0.0000 175.3266 34 A 3.9349 7.9060 123.4817 54.7216 18.4585 179.2811 35 V 3.4549 8.0002 116.7502 66.3458 31.5419 177.3262 36 D 4.3113 8.1062 117.0921 57.6093 40.9741 177.9014 37 A 3.9369 8.2509 121.1510 55.8770 18.4110 178.9630 38 L 3.8554 8.3807 116.8437 59.3778 41.8478 179.8420 39 T 4.1944 8.2785 110.7502 64.1287 68.6487 176.3081 40 R 3.8636 8.1089 123.6107 58.3533 30.6384 178.0264 41 I 4.0612 7.9878 117.0446 63.5842 37.8213 177.2462 42 G 3.7061 7.9606 106.8138 45.3883 0.0000 174.2435 43 Q 3.6974 8.2036 120.0110 56.5430 28.0903 172.6910 44 V 3.8960 7.4738 116.5305 61.8385 32.3318 175.0531 45 K 4.2006 8.5875 128.9473 56.2980 32.5025 176.7144 46 D 4.6848 8.8252 124.0438 54.0845 39.0090 176.1836 47 D 4.8152 7.9829 117.0784 53.7448 40.2156 176.2836 48 N 4.7109 8.5721 117.7620 53.7219 39.3173 174.1114 49 I 4.9738 7.5731 120.1816 60.1955 38.5610 175.1982 50 T 4.7183 8.8459 117.0857 59.7199 71.9725 172.9448 51 V 4.6179 8.4202 123.6379 61.0680 34.1195 174.5353 52 V 4.2922 9.0910 129.2310 60.8347 33.5765 174.5192 53 W 4.8967 8.9635 129.1301 56.4840 29.6022 176.4840 54 V 4.4081 8.6144 119.0578 59.0656 33.6808 174.8932 55 P 4.3047 0.0000 0.0000 65.2677 31.3865 176.9039 56 G 4.4925 7.9922 108.4928 42.7686 0.0000 174.0301 57 A 4.0825 8.4702 120.4868 54.7107 18.1134 179.2545 58 Y 4.2198 8.1452 117.0551 60.5367 39.2801 177.2488 59 E 4.1291 8.2534 119.3017 58.1375 29.6512 178.6575 60 L 3.8731 7.5097 119.4429 57.8298 41.5846 177.3118 61 P 4.1763 0.0000 0.0000 64.9979 31.2382 177.9378 62 L 3.8860 7.7930 118.0476 58.4509 42.1327 179.0579 63 A 3.9826 7.7830 119.9473 55.6394 18.3258 179.8375 64 T 3.8229 8.0885 108.2239 64.5327 68.6979 176.1573 65 E 3.8423 8.9824 122.8221 59.1741 29.6378 178.2857 66 A 4.0105 8.0346 120.6262 55.6322 18.1890 179.5838 67 L 4.0962 7.6123 114.9051 57.9233 41.9175 179.4901 68 A 4.2346 8.3173 120.7708 55.1113 18.2484 179.7978 69 K 3.9023 8.2099 116.2530 59.6346 32.1499 178.9368 70 S 4.1924 8.1152 112.9004 59.4964 61.9917 176.0001 71 G 3.9557 8.5908 110.3566 46.3852 0.0000 176.1234 72 K 3.9006 7.7147 120.4360 56.3476 31.8431 182.1843 73 Y 5.1099 6.9334 114.0548 56.8034 40.6161 175.5474 74 D 4.7006 9.1940 122.3939 56.2503 41.7916 176.3702 75 A 4.5418 7.3606 117.4671 51.2564 22.5129 175.1019 76 V 4.7553 8.2139 119.6592 61.0337 34.7201 174.4904 77 V 4.3581 8.7653 128.2609 61.5086 33.4101 174.1763 78 A 4.9109 8.5459 130.3312 49.7522 20.7677 175.2991 79 L 5.3564 8.0160 123.1953 52.6813 44.5090 176.3455 80 G 4.2177 7.8625 108.3820 46.0775 0.0000 171.8590 81 T 5.1207 8.1434 116.1968 61.4947 72.0838 174.4855 82 V 4.2264 9.1320 125.0047 61.3686 34.2138 173.8821 83 I 4.8454 8.2067 128.8134 59.5709 38.6414 176.0049 84 R 3.6326 8.4530 127.8930 56.5737 30.3495 176.3261 85 G 4.4158 8.3162 115.8559 44.1528 0.0000 172.8892 86 G 3.6370 8.7675 107.5150 47.4826 0.0000 173.3753 87 T 4.5216 7.5944 108.4098 59.7198 71.4681 173.5152 88 A 4.4723 8.3636 121.3111 52.7470 18.7850 178.7042 89 H 4.2929 8.3477 120.1688 60.2867 29.6426 176.9116 90 F 4.0417 8.4876 122.0000 61.5611 38.9826 176.6273 91 E 3.5951 8.0125 118.4796 59.4945 29.3748 178.3559 92 Y 4.3295 7.3900 115.8653 60.7710 38.2790 177.4066 93 V 3.6791 7.6987 119.3711 65.8129 31.5818 177.7800 94 A 4.0923 7.8427 120.4628 55.1804 18.1083 179.6546 95 G 3.6170 8.0773 104.7602 47.7556 0.0000 176.0620 96 G 3.8569 8.6319 108.2443 45.8171 0.0000 174.8415 97 A 4.2508 7.8570 122.7304 54.4367 19.6076 179.1808 98 S 4.1481 8.2129 111.7474 61.8345 62.3516 176.2440 99 N 4.4393 8.5073 119.3915 55.9108 38.3243 177.4311 100 G 3.7414 7.7197 106.7720 48.0807 0.0000 175.5696 101 L 3.9924 8.0801 121.7152 57.1878 41.7155 179.5481 102 A 3.9813 8.0347 120.6620 55.1186 18.2980 179.3922 103 S 3.9386 8.3423 111.8963 61.5920 62.4099 176.2146 104 V 3.5419 7.7650 120.5716 66.2744 31.1595 177.8533 105 A 4.2987 7.8126 120.9965 54.8294 18.0292 179.4359 106 Q 3.9165 7.7617 116.7531 59.1013 29.1230 177.7687 107 D 4.5449 7.9409 119.4294 56.8632 41.3327 178.4690 108 S 4.3507 8.2931 112.8556 58.6897 63.4810 175.6943 109 G 3.9039 8.1060 109.4159 45.7361 0.0000 173.8221 110 V 3.9242 7.4830 121.2249 61.7531 32.9731 173.6062 111 P 4.4919 0.0000 0.0000 62.6434 32.4919 175.1559 112 V 4.9019 8.4030 123.5372 61.0187 34.0731 174.2337 113 A 4.4612 8.8721 130.2516 50.9115 20.4620 176.2817 114 F 4.8146 9.0098 126.7129 56.2856 38.3390 175.8657 115 G 3.9426 8.0527 117.8127 44.8533 0.0000 170.7955 116 V 4.5879 6.1347 117.3868 60.6599 34.0640 175.9747 117 L 4.2906 8.9027 129.5170 55.0033 42.8115 176.5246 118 T 5.2573 8.5433 113.1580 59.8112 68.8726 172.5880 119 T 4.5969 8.7684 120.9684 60.9934 71.9905 175.1781 120 E 4.0879 9.7947 120.6604 57.3466 30.4952 177.3112 121 S 4.7250 7.5871 111.8324 55.5920 67.6696 174.8416 122 I 3.6789 8.2065 123.1735 64.2509 36.6066 177.9538 123 E 3.9231 8.2038 119.0638 59.8038 29.6756 178.6706 124 Q 4.2931 8.1445 117.3983 58.8215 28.7451 178.6204 125 A 4.0189 7.8023 121.9268 55.3890 18.2041 179.7455 126 I 3.7600 7.9249 118.1917 64.6266 37.1178 178.5510 127 E 4.5456 8.0539 120.2788 58.1171 29.2739 178.4276 128 R 4.5232 7.9466 115.7708 55.6950 30.5345 176.6805 129 A 4.8247 7.2235 121.6903 52.6941 19.5126 177.2156 130 G 4.4565 8.1607 107.8545 48.0235 0.0000 175.3273 131 T 4.5957 7.5302 115.1471 59.9786 68.8701 175.7653 132 K 3.7757 9.2118 117.0489 59.3009 31.8025 177.8274 133 A 4.5883 7.8168 119.3921 52.0019 20.0382 178.8445 134 G 3.7453 8.2593 110.7800 47.3247 0.0000 173.9080 135 N 5.2923 8.2391 117.6666 50.9069 40.8977 175.5853 136 K 4.0014 8.9568 128.8534 59.0070 32.0769 179.0284 137 G 4.0910 8.2743 107.8267 47.4012 0.0000 175.6409 138 A 3.9744 7.8555 123.3529 54.2159 18.4537 179.2321 139 E 3.8553 8.5155 118.0989 59.3664 29.7612 178.9038 140 A 4.0320 8.5863 122.3149 54.4438 18.4640 179.3214 141 A 3.9151 8.1561 119.4269 55.3490 18.3697 179.9117 142 L 3.9172 8.0054 117.5479 58.2342 41.3576 179.9405 143 T 3.8359 8.1497 109.3932 64.5338 68.4931 176.1924 144 A 3.9903 7.9661 123.8567 55.0224 18.4632 179.1783 145 L 3.8903 7.8166 116.8847 58.1287 41.8113 179.3111 146 E 4.1828 8.2861 120.3563 58.9906 29.4796 178.7454 147 M 4.0184 8.0431 118.3672 58.5309 31.9662 178.4072 148 I 3.6737 7.7328 119.7772 64.9264 37.2868 178.1569 149 N 4.3315 8.0054 116.3435 56.2035 38.1411 177.5899 150 V 3.5755 7.9030 119.1733 66.0554 31.7771 177.9344 151 L 4.0812 8.4723 118.9086 57.7935 41.3954 179.1419 152 K 3.8370 8.1225 118.4858 59.5519 32.0886 176.9458 153 A 4.4815 8.0765 120.1028 51.7225 19.4430 177.2500 154 I 3.9161 7.8513 120.9954 63.1279 37.6875 174.0452 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.68 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.79 4.59 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.34 4.36 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.59 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.53 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 7 N 8.19 5.06 0.00 2.73 2.64 0.00 0.00 6.86 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 8 V 8.17 3.86 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.13 4.20 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 10 A 8.40 4.63 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 11 P 0.00 4.71 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.06 4.66 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.65 4.57 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 14 R 9.53 4.82 0.00 1.41 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.87 4.94 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.49 4.88 0.28 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 17 I 8.70 4.82 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.69 0.00 0.00 18 T 8.63 4.88 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 1.09 0.00 0.00 19 I 8.39 5.23 0.74 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.02 0.30 0.00 0.00 20 A 8.44 5.10 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 21 R 9.28 4.44 0.00 2.10 2.52 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.21 4.62 0.00 3.16 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 23 N 9.86 4.67 0.00 2.97 2.99 0.00 0.00 6.88 8.18 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 24 Q 8.27 4.16 0.00 2.54 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.90 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 26 I 8.30 4.20 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.75 0.96 0.00 0.00 27 N 8.28 4.38 0.00 2.87 2.92 0.00 0.00 7.08 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 28 D 8.78 4.47 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.97 4.07 0.00 3.82 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 30 L 7.82 4.06 0.00 1.93 1.63 0.96 0.59 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 31 L 8.29 3.85 0.00 1.78 1.82 0.78 1.03 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 32 D 8.45 4.51 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.18 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.91 3.93 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 35 V 8.00 3.45 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 0.98 0.00 0.00 0.92 0.00 0.00 36 D 8.11 4.31 0.00 2.83 2.90 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 37 A 8.25 3.94 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 38 L 8.38 3.86 0.00 1.85 1.71 0.89 0.55 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 39 T 8.28 4.19 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 40 R 8.11 3.86 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.60 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 7.99 4.06 2.09 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 1.23 0.96 0.91 0.00 0.00 42 G 7.96 3.71 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 0.00 0.00 0.00 43 Q 8.20 3.70 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.47 3.90 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 0.91 0.00 0.00 1.03 0.00 0.00 45 K 8.59 4.20 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.83 4.68 0.00 2.83 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 47 D 7.98 4.82 0.00 2.78 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 48 N 8.57 4.71 0.00 2.88 3.00 0.00 0.00 6.91 7.49 0.00 0.00 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 I 7.57 4.97 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.85 4.72 4.32 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 1.52 0.00 0.00 51 V 8.42 4.62 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 0.50 0.00 0.00 0.84 0.00 0.00 52 V 9.09 4.29 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.96 4.90 0.00 3.22 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 54 V 8.61 4.41 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.03 0.00 0.00 55 P 0.00 4.30 0.00 2.19 2.32 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.99 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.47 4.08 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 58 Y 8.15 4.22 0.00 2.92 3.10 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 59 E 8.25 4.13 0.00 2.00 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 2.62 2.58 0.00 60 L 7.51 3.87 0.00 1.73 1.69 0.87 1.34 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 61 P 0.00 4.18 0.00 2.03 1.88 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 62 L 7.79 3.89 0.00 1.63 1.67 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.78 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.09 3.82 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 1.22 0.00 0.00 65 E 8.98 3.84 0.00 2.06 2.18 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 2.31 2.33 0.00 66 A 8.03 4.01 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 67 L 7.61 4.10 0.00 1.77 1.69 0.64 0.67 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 68 A 8.32 4.23 1.36 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 0.00 0.00 0.00 69 K 8.21 3.90 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.60 7.81 70 S 8.12 4.19 0.00 3.92 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 0.00 71 G 8.59 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 0.00 0.00 0.00 72 K 7.71 3.90 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.93 5.11 0.00 3.09 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 74 D 9.19 4.70 0.00 2.55 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 75 A 7.36 4.54 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 76 V 8.21 4.76 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 0.92 0.00 0.00 0.85 0.00 0.00 77 V 8.77 4.36 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.55 4.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.02 5.36 0.00 1.38 1.40 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.86 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 0.00 0.00 0.00 0.00 81 T 8.14 5.12 4.31 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 1.19 0.00 0.00 82 V 9.13 4.23 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 0.94 0.00 0.00 0.87 0.00 0.00 83 I 8.21 4.85 1.85 0.00 0.00 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 1.24 0.69 0.87 0.00 0.00 84 R 8.45 3.63 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 85 G 8.32 4.42 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 0.00 0.00 0.00 86 G 8.77 3.64 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 0.00 87 T 7.59 4.52 4.31 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 1.24 0.00 0.00 88 A 8.36 4.47 1.30 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 89 H 8.35 4.29 0.00 3.30 3.41 0.00 5.62 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 90 F 8.49 4.04 0.00 3.10 3.02 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 91 E 8.01 3.60 0.00 1.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 92 Y 7.39 4.33 0.00 2.98 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 93 V 7.70 3.68 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 1.05 0.00 0.00 0.74 0.00 0.00 94 A 7.84 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.08 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 96 G 8.63 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 0.00 0.00 0.00 97 A 7.86 4.25 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.21 4.15 0.00 3.70 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 99 N 8.51 4.44 0.00 2.80 2.83 0.00 0.00 6.94 8.32 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 0.00 100 G 7.72 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 0.00 101 L 8.08 3.99 0.00 1.89 1.81 1.05 0.91 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 0.00 102 A 8.03 3.98 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 0.00 103 S 8.34 3.94 0.00 3.94 4.04 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 0.00 104 V 7.76 3.54 2.23 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 1.03 0.00 0.00 0.94 0.00 0.00 105 A 7.81 4.30 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 0.00 106 Q 7.76 3.92 0.00 2.08 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 7.94 4.54 0.00 2.70 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 0.00 108 S 8.29 4.35 0.00 4.03 4.04 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 0.00 109 G 8.11 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 0.00 110 V 7.48 3.92 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 0.96 0.00 0.00 1.00 0.00 0.00 111 P 0.00 4.49 0.00 2.12 1.96 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.40 4.90 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 0.81 0.00 0.00 0.98 0.00 0.00 113 A 8.87 4.46 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 0.00 114 F 9.01 4.81 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.05 3.94 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 0.00 0.00 0.00 116 V 6.13 4.59 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 0.69 0.00 0.00 0.01 0.00 0.00 117 L 8.90 4.29 0.00 1.59 1.58 0.92 0.30 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 0.00 118 T 8.54 5.26 4.46 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 1.25 0.00 0.00 119 T 8.77 4.60 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 1.24 0.00 0.00 120 E 9.79 4.09 0.00 1.95 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 2.31 2.30 0.00 121 S 7.59 4.73 0.00 3.95 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 0.00 122 I 8.21 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.86 0.00 0.00 123 E 8.20 3.92 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 124 Q 8.14 4.29 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.80 4.02 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 0.00 126 I 7.92 3.76 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.04 0.99 0.00 0.00 127 E 8.05 4.55 0.00 2.26 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 2.39 0.00 128 R 7.95 4.52 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.22 4.82 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 0.00 130 G 8.16 4.46 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 0.00 131 T 7.53 4.60 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 1.28 0.00 0.00 132 K 9.21 3.78 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.59 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 0.00 134 G 8.26 3.75 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 0.00 0.00 0.00 135 N 8.24 5.29 0.00 2.70 2.65 0.00 0.00 6.93 7.33 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 0.00 136 K 8.96 4.00 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.27 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.86 3.97 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 0.00 139 E 8.52 3.86 0.00 2.03 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 0.00 2.31 2.33 0.00 140 A 8.59 4.03 1.36 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 0.00 0.00 0.00 141 A 8.16 3.92 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 0.00 142 L 8.01 3.92 0.00 2.00 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.15 3.84 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 1.29 0.00 0.00 144 A 7.97 3.99 1.42 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 0.00 0.00 145 L 7.82 3.89 0.00 1.87 1.89 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.29 4.18 0.00 2.02 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 2.31 2.23 0.00 147 M 8.04 4.02 0.00 2.09 2.36 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 2.63 2.92 0.00 148 I 7.73 3.67 2.06 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 1.68 0.93 0.92 0.00 0.00 149 N 8.01 4.33 0.00 2.95 2.86 0.00 0.00 6.74 8.51 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 0.00 150 V 7.90 3.58 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 0.83 0.00 0.00 1.01 0.00 0.00 151 L 8.47 4.08 0.00 1.92 1.69 0.93 0.89 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 8.12 3.84 0.00 1.82 2.08 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.08 4.48 1.36 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 0.00 0.00 0.00 154 I 7.85 3.92 1.87 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 1.16 0.72 0.91 0.00 0.00