NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.5278 8.3344 116.7899 58.0053 66.0001 174.5177 10 N 4.6720 7.5900 124.5789 50.3541 38.3315 176.0185 11 C 4.0343 8.8075 110.2812 56.9966 41.5921 171.8951 12 D 4.5210 7.9757 117.0282 53.9528 39.5982 178.4337 13 C 4.5468 7.5691 117.0869 57.2338 39.1960 172.9032 14 L 4.8729 8.1727 122.2532 53.8304 45.5876 177.8632 15 N 3.9721 8.1461 117.4137 55.0621 36.1344 175.5105 16 G 3.9130 8.3780 116.6706 46.5946 0.0000 172.7945 17 G 3.9847 7.2611 106.1295 45.4842 0.0000 173.8827 18 T 4.8197 8.3701 120.0364 61.3046 71.3032 171.1832 19 C 4.9147 8.7704 121.8609 55.0429 42.0313 173.1924 20 V 4.4029 8.2935 123.2105 59.5935 33.8242 174.7572 21 S 5.1379 8.1658 116.9907 55.5121 66.9900 172.5263 22 N 5.1150 8.4479 117.5508 52.3447 41.2212 175.1105 23 K 4.3896 8.9540 125.2873 58.8592 33.3266 177.7843 24 Y 4.0845 7.8158 115.3606 59.7031 38.6206 175.7275 25 F 4.8474 7.7209 118.3612 57.2437 39.5689 175.3202 26 S 3.8251 8.7335 108.9015 59.4997 60.9054 172.5427 27 N 4.3848 8.1770 113.9015 54.0156 36.8010 173.9540 28 I 4.1137 7.7745 118.1749 61.7917 38.9733 174.3278 29 H 5.5886 8.6900 123.7689 54.0709 31.8849 172.1243 30 W 4.8928 8.0499 115.4885 56.4327 31.8036 171.9850 31 C 5.4233 8.7391 116.2268 55.2340 40.8724 173.9491 32 N 4.9415 9.0107 120.3187 52.9167 39.5116 173.7270 33 C 5.3685 8.6690 120.2683 54.1959 39.0604 172.1320 34 P 4.5396 0.0000 0.0000 62.2219 31.7210 177.3493 35 K 3.8429 8.7174 120.8181 59.7088 32.1553 177.7301 36 K 4.0711 7.8937 115.6167 56.7366 32.5037 175.9780 37 F 5.4544 7.9304 118.0060 55.4545 41.6910 174.8309 38 G 4.2018 10.1314 113.2641 44.3601 0.0000 173.1229 39 G 4.3126 8.9811 104.9570 45.3768 0.0000 174.6472 40 Q 3.8420 8.3247 120.9730 58.9915 29.5256 178.7575 41 H 4.9627 9.0996 113.2872 54.8292 29.2329 173.6300 42 C 4.7973 8.2654 115.5202 57.9085 38.1824 174.4093 43 E 3.8393 8.3451 117.2570 58.0997 29.8111 176.2140 44 I 4.2712 8.5717 122.3648 59.9072 39.2129 174.6424 45 D 4.8501 8.6937 128.5266 52.5832 41.3310 175.4933 46 K 4.1663 8.3914 124.4317 56.9890 32.7479 177.3683 47 S 4.3922 8.0816 116.1481 59.7724 64.0433 175.1106 48 K 3.8340 8.1250 118.2682 57.4346 31.9936 176.3801 49 T 4.5695 8.5608 112.0046 61.4369 70.4083 172.6783 50 C 5.4451 8.0448 115.6649 53.9175 43.6193 172.6365 51 Y 5.0082 8.2529 118.2042 55.1240 40.5616 174.6559 52 E 4.3872 9.1495 125.7255 57.2809 30.7573 177.1201 53 G 3.7630 9.2113 113.6851 48.7318 0.0000 173.6354 54 N 4.3543 8.1755 122.6684 53.8345 40.1028 176.7565 55 G 3.9894 8.4910 105.2579 45.8584 0.0000 174.4725 56 H 4.0670 8.1333 120.5187 58.2906 29.8496 175.9499 57 F 5.0202 8.1269 116.2803 57.1612 39.1209 175.0102 58 Y 4.2636 7.6411 121.9009 57.7315 39.0001 174.9937 59 R 4.3432 7.2284 123.9998 54.9795 34.3025 174.6925 60 G 3.9790 8.3298 105.5144 46.1862 0.0000 173.7320 61 K 3.7647 7.6226 124.4005 58.0251 31.1767 174.5780 62 A 3.6659 8.8154 126.5698 52.2506 15.5003 177.3879 63 S 5.0285 8.4714 115.5106 58.5760 64.7009 173.6749 64 T 5.1570 7.8064 114.4311 60.3780 71.0967 172.4081 65 D 4.9658 8.7326 124.7192 53.4332 42.4075 178.2562 66 T 3.9228 7.8275 118.9052 66.4522 68.8323 174.7976 67 M 4.5156 7.8170 117.7452 55.4061 31.4151 176.4929 68 G 3.8066 8.2803 106.8002 47.6467 0.0000 172.3672 69 R 4.5177 7.8364 121.5088 54.1039 34.2994 172.1067 70 P 4.8702 0.0000 0.0000 63.0812 32.0295 176.9294 71 C 4.6885 8.9349 120.2449 56.9247 41.2311 173.0072 72 L 4.4740 8.6660 121.8137 53.1110 42.5172 175.3996 73 P 4.4503 0.0000 0.0000 62.8469 32.5151 176.9287 74 W 4.6157 9.1681 121.9686 57.4990 29.7451 177.0854 75 N 5.0229 7.9725 116.1158 52.0877 37.7105 174.6563 76 S 4.1916 8.1722 114.1710 58.5141 63.8311 175.3080 77 A 3.8978 8.5345 127.0508 55.9131 18.9443 179.1802 78 T 3.9316 8.0201 112.2067 66.8291 68.9028 177.1562 79 V 3.3844 7.6609 120.8528 65.4324 31.6316 177.6156 80 L 3.9679 7.8020 118.5065 56.5428 41.3529 177.4655 81 Q 4.3520 7.5142 116.1451 55.6804 29.4648 175.6563 82 Q 4.3666 7.4346 117.7051 54.9444 30.4002 175.8513 83 T 3.9513 8.6142 114.5904 66.2142 68.5836 174.7856 84 Y 4.8417 8.1136 119.5698 56.4860 39.3620 174.5181 85 H 5.3008 8.4111 119.0233 54.4525 31.6294 172.9610 86 A 4.2151 9.2248 122.0445 54.9851 18.3675 178.2010 87 H 4.7867 8.3486 111.0349 56.0591 29.2172 175.7361 88 R 4.2543 7.6819 117.4405 55.4699 30.1255 177.7330 89 S 4.1670 8.7218 114.5051 60.8847 63.1727 174.7069 90 D 5.2990 8.2047 118.4492 52.1720 39.8884 177.7630 91 A 3.8923 8.0840 124.9212 56.0401 18.8103 180.5432 92 L 3.9450 8.1196 116.8503 58.4069 42.4807 179.2294 93 Q 4.0567 8.1699 116.8674 58.3436 28.7415 177.6413 94 L 4.3215 7.5187 114.9743 53.9074 42.2175 177.2076 95 G 3.7465 7.7139 106.2787 45.8343 0.0000 173.4713 96 L 3.7580 7.6688 120.2238 53.2403 41.8847 176.2544 97 G 3.9951 7.5417 112.9812 44.8598 0.0000 172.1792 98 K 4.4301 8.3704 116.3352 54.0416 30.6681 174.7421 99 H 4.4760 7.1907 117.0297 55.1179 30.8765 174.1779 100 N 5.1774 7.6268 114.9026 52.5941 37.5625 173.4877 101 Y 5.0791 8.0909 115.7922 58.8797 39.1523 176.7083 102 C 4.8114 8.9689 121.4742 57.7459 36.7591 173.5417 103 R 4.3758 8.3836 121.0199 55.3618 34.0460 174.2696 104 N 4.5941 7.4802 111.6403 52.8660 39.6582 173.7372 105 P 4.0851 0.0000 0.0000 65.0226 32.1982 177.0378 106 D 4.7490 7.3966 116.8050 51.6506 40.8977 176.1611 107 N 4.5344 8.5838 119.0860 53.0490 37.6696 174.4051 108 R 4.7122 8.0294 122.9835 53.8788 33.3134 176.8880 109 R 4.0446 8.6447 116.7842 59.2672 29.9733 177.1159 110 R 4.3259 7.3920 112.9463 52.8009 34.0398 172.6386 111 P 4.6469 0.0000 0.0000 63.4591 32.7637 174.6373 112 W 5.1561 8.8588 116.6929 56.6463 32.1337 170.1021 113 C 4.9216 9.0419 114.2114 54.5976 43.6752 172.1526 114 Y 5.1334 7.7990 116.2949 57.2996 39.1059 175.1377 115 V 4.6189 8.9437 124.0603 60.8157 34.9676 174.1702 116 Q 4.2903 8.8354 129.3839 56.1455 29.4612 176.4671 117 V 4.3708 8.4240 121.0029 59.0582 32.7152 176.8820 118 G 4.0627 7.8692 117.2195 45.7774 0.0000 174.7351 119 L 4.1772 8.6481 125.2646 56.1482 41.9267 176.6674 120 K 4.8191 7.6314 117.7752 53.5228 36.2593 173.7995 121 P 4.9837 0.0000 0.0000 62.7939 32.2599 175.3099 122 L 4.9400 9.0120 124.4591 53.2478 46.0404 175.6984 123 V 4.2995 8.3752 117.6593 61.7167 32.6365 175.8835 124 Q 4.5163 8.8607 122.6190 54.2927 33.4844 173.7518 125 E 4.2354 9.0915 125.0080 57.2292 30.7101 176.1362 126 C 4.7989 8.3219 126.1026 55.6696 44.4446 173.1040 127 M 4.0820 8.7130 125.4435 58.9483 31.9983 177.2042 128 V 3.4359 7.4435 115.5155 60.2865 31.9730 175.4228 129 H 4.6685 8.8764 121.6903 55.3800 30.2431 174.0456 130 D 3.5889 8.4354 119.6076 53.6335 42.1482 177.4545 131 C 4.6142 7.3647 121.0434 53.9682 38.2320 173.9119 132 A 4.0461 7.4764 124.4655 52.7510 18.5912 176.6435 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 9 S 8.33 4.53 0.00 3.86 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 10 N 7.59 4.67 0.00 2.68 1.85 0.00 0.00 7.03 6.77 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 11 C 8.81 4.03 0.00 3.09 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 12 D 7.98 4.52 0.00 2.67 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 13 C 7.57 4.55 0.00 3.03 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 14 L 8.17 4.87 0.00 1.69 1.41 0.89 0.40 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 15 N 8.15 3.97 0.00 2.23 1.49 0.00 0.00 6.90 7.65 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 16 G 8.38 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 17 G 7.26 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 0.00 0.00 0.00 18 T 8.37 4.82 4.20 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 1.15 0.00 0.00 19 C 8.77 4.91 0.00 2.86 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 20 V 8.29 4.40 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.44 0.00 0.00 21 S 8.17 5.14 0.00 3.93 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 22 N 8.45 5.11 0.00 3.04 3.03 0.00 0.00 6.65 5.99 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 23 K 8.95 4.39 0.00 1.77 1.86 0.00 1.04 0.00 0.00 2.26 0.00 0.00 2.54 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.23 0.83 7.81 24 Y 7.82 4.08 0.00 3.25 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 25 F 7.72 4.85 0.00 3.26 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 26 S 8.73 3.83 0.00 4.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.18 4.38 0.00 2.95 2.91 0.00 0.00 6.68 8.01 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 28 I 7.77 4.11 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 1.44 1.44 1.18 0.00 0.00 29 H 8.69 5.59 0.00 3.09 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.05 4.89 0.00 3.38 3.28 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 31 C 8.74 5.42 0.00 2.87 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 32 N 9.01 4.94 0.00 2.73 2.79 0.00 0.00 6.81 7.93 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 33 C 8.67 5.37 0.00 2.99 3.09 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 34 P 0.00 4.54 0.00 2.46 2.09 0.00 3.78 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 2.26 2.15 0.00 35 K 8.72 3.84 0.00 1.71 1.84 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 36 K 7.89 4.07 0.00 1.13 1.33 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.21 7.81 37 F 7.93 5.45 0.00 3.06 2.89 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 38 G 10.13 4.20 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 0.00 39 G 8.98 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 0.00 0.00 0.00 0.00 40 Q 8.32 3.84 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 41 H 9.10 4.96 0.00 3.41 3.29 0.00 6.01 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 42 C 8.27 4.80 0.00 3.09 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 43 E 8.35 3.84 0.00 2.11 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 0.00 2.36 2.35 0.00 44 I 8.57 4.27 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.93 0.00 0.00 45 D 8.69 4.85 0.00 2.93 2.47 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 0.00 0.00 0.00 0.00 46 K 8.39 4.17 0.00 1.73 1.79 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.33 7.81 47 S 8.08 4.39 0.00 3.64 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 48 K 8.13 3.83 0.00 1.60 1.73 0.00 1.63 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 49 T 8.56 4.57 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 1.24 0.00 0.00 50 C 8.04 5.45 0.00 2.92 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 51 Y 8.25 5.01 0.00 3.04 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 52 E 9.15 4.39 0.00 2.09 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 2.48 2.59 0.00 53 G 9.21 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.18 4.35 0.00 2.72 2.84 0.00 0.00 7.01 7.98 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 55 G 8.49 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.13 4.07 0.00 2.93 2.66 0.00 5.70 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 57 F 8.13 5.02 0.00 3.51 2.96 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 58 Y 7.64 4.26 0.00 3.00 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 59 R 7.23 4.34 0.00 1.67 1.73 0.00 3.54 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 60 G 8.33 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 0.00 0.00 0.00 61 K 7.62 3.76 0.00 0.92 1.34 0.00 2.21 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.59 7.81 62 A 8.82 3.67 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 63 S 8.47 5.03 0.00 3.86 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 64 T 7.81 5.16 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 65 D 8.73 4.97 0.00 2.90 2.57 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 0.00 0.00 0.00 0.00 66 T 7.83 3.92 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 67 M 7.82 4.52 0.00 2.09 2.10 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 2.46 2.50 0.00 68 G 8.28 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 69 R 7.84 4.52 0.00 1.70 1.73 0.00 3.11 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 70 P 0.00 4.87 0.00 2.11 2.05 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 71 C 8.93 4.69 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.67 4.47 0.00 1.46 1.48 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.45 0.00 2.03 1.93 0.00 3.52 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 2.07 2.08 0.00 74 W 9.17 4.62 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 75 N 7.97 5.02 0.00 2.80 2.90 0.00 0.00 6.14 7.64 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 76 S 8.17 4.19 0.00 4.02 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 77 A 8.53 3.90 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 78 T 8.02 3.93 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 1.10 0.00 0.00 79 V 7.66 3.38 2.19 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 1.22 0.00 0.00 0.74 0.00 0.00 80 L 7.80 3.97 0.00 1.77 1.57 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.51 4.35 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 82 Q 7.43 4.37 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.98 0.00 0.00 0.00 0.00 0.00 2.16 1.31 0.00 83 T 8.61 3.95 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 0.59 0.00 0.00 84 Y 8.11 4.84 0.00 3.64 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 85 H 8.41 5.30 0.00 3.43 3.54 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.22 4.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.35 4.79 0.00 3.25 3.39 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.68 4.25 0.00 2.13 2.00 0.00 3.06 0.00 0.00 3.84 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 89 S 8.72 4.17 0.00 4.01 4.07 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 90 D 8.20 5.30 0.00 2.85 2.91 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 91 A 8.08 3.89 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.12 3.95 0.00 1.69 1.64 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.17 4.06 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 94 L 7.52 4.32 0.00 1.62 1.48 0.98 1.49 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 95 G 7.71 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 96 L 7.67 3.76 0.00 1.49 1.48 0.89 -1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.54 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 0.00 0.00 0.00 98 K 8.37 4.43 0.00 1.78 1.80 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 99 H 7.19 4.48 0.00 1.88 3.03 0.00 5.39 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.63 5.18 0.00 2.95 2.99 0.00 0.00 5.94 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 0.00 101 Y 8.09 5.08 0.00 2.95 3.09 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 0.00 102 C 8.97 4.81 0.00 2.85 3.13 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 0.00 103 R 8.38 4.38 0.00 0.90 1.35 0.00 3.14 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.08 0.00 104 N 7.48 4.59 0.00 2.45 2.65 0.00 0.00 6.86 7.69 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 0.00 105 P 0.00 4.09 0.00 1.77 1.78 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.15 0.00 106 D 7.40 4.75 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.58 4.53 0.00 2.73 2.89 0.00 0.00 6.81 7.66 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 0.00 108 R 8.03 4.71 0.00 1.93 1.82 0.00 2.46 0.00 0.00 2.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 109 R 8.64 4.04 0.00 1.76 1.98 0.00 3.18 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 110 R 7.39 4.33 0.00 1.57 1.30 0.00 3.29 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 111 P 0.00 4.65 0.00 1.82 1.89 0.00 2.60 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 112 W 8.86 5.16 0.00 3.41 3.09 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 0.00 113 C 9.04 4.92 0.00 2.68 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 0.00 114 Y 7.80 5.13 0.00 2.75 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 0.00 115 V 8.94 4.62 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 1.10 0.00 0.00 1.15 0.00 0.00 116 Q 8.84 4.29 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 117 V 8.42 4.37 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 0.76 0.00 0.00 1.00 0.00 0.00 118 G 7.87 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 0.00 119 L 8.65 4.18 0.00 1.64 1.73 0.91 0.74 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 0.00 120 K 7.63 4.82 0.00 1.65 1.63 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.39 7.81 121 P 0.00 4.98 0.00 2.01 1.98 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 122 L 9.01 4.94 0.00 1.73 1.49 0.94 0.83 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 0.00 123 V 8.38 4.30 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 0.31 0.00 0.00 0.64 0.00 0.00 124 Q 8.86 4.52 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 125 E 9.09 4.24 0.00 2.04 1.84 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 2.36 2.31 0.00 126 C 8.32 4.80 0.00 2.97 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 0.00 127 M 8.71 4.08 0.00 2.04 2.27 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 2.69 2.58 0.00 128 V 7.44 3.44 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 0.51 0.00 0.00 0.94 0.00 0.00 129 H 8.88 4.67 0.00 3.12 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.44 3.59 0.00 2.34 2.41 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 0.00 131 C 7.36 4.61 0.00 3.03 2.96 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 0.00 132 A 7.48 4.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00