NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 Y 4.9674 7.9876 121.6969 56.7448 39.3979 174.7399 -3 K 3.7066 8.9564 123.5189 60.5286 32.8442 179.2974 -2 K 4.8182 8.5238 119.1719 61.6675 33.3731 176.7656 -1 A 3.8033 6.7174 119.3998 49.1534 20.6818 177.3296 0 G 3.8516 8.1140 109.7599 45.1687 0.0000 173.1998 1 L 4.7457 8.6192 126.6898 54.7674 43.3366 176.8890 2 Q 4.6778 8.4392 118.0261 54.9088 33.0633 173.0597 3 R 5.1653 8.5929 124.4001 54.8630 32.5845 174.3523 4 T 4.7705 9.0533 120.1498 60.2290 71.7880 171.6991 5 L 5.1659 8.4255 127.3475 53.4523 44.4128 175.2397 6 V 5.0653 9.0758 125.8048 61.0553 35.0829 173.9315 7 L 4.9953 9.0713 126.8600 53.0118 44.8893 175.4706 8 I 4.5510 9.0047 125.8888 59.6144 38.4398 175.8354 9 K 4.4073 8.6995 127.2053 55.5002 33.0440 176.7250 10 P 4.6450 0.0000 0.0000 65.3347 31.1231 178.5805 11 D 4.5286 8.5522 116.9964 56.5627 39.2210 178.2799 12 A 4.0288 8.2463 122.1124 55.0822 18.4210 179.6852 13 F 4.0354 8.2287 115.7094 60.7165 38.9158 177.4300 14 E 4.1199 8.5250 117.9850 58.7585 29.5109 178.0343 15 R 4.3837 8.2887 115.7600 54.8454 30.8776 176.2176 16 S 3.7300 7.7285 113.3369 60.2371 60.9265 172.7704 17 L 4.6005 8.2074 116.9557 54.5035 42.6336 179.0048 18 V 3.3494 7.7658 119.7717 66.0914 31.1515 177.7379 19 A 3.9205 7.8188 119.5955 55.0818 18.2105 178.6141 20 E 3.9119 8.2470 117.4101 59.7419 29.5607 179.0862 21 I 3.7268 7.9584 119.5120 64.8772 37.2305 178.5012 22 M 4.2875 8.4134 119.7294 58.1568 31.6827 179.1319 23 G 3.6260 8.8614 106.9976 47.9113 0.0000 175.9432 24 R 4.0156 7.5097 119.6055 59.0054 30.4467 179.0206 25 I 3.8550 7.3414 118.9421 64.2559 37.0731 178.0337 26 E 4.0562 8.3945 120.2850 59.3300 29.2656 179.0311 27 K 4.0630 8.3980 117.7620 58.6137 32.1778 178.3162 28 K 4.1125 7.5756 117.3936 56.0023 32.4673 175.7596 29 N 4.2143 8.1219 115.8348 55.3604 37.6614 173.2183 30 F 4.6364 8.0649 114.0763 55.8434 40.5954 175.4535 31 K 4.5786 8.2757 123.2490 55.5080 35.1599 175.2280 32 I 4.1994 8.0374 121.8428 61.0905 37.5315 175.3656 33 V 4.1506 8.5631 127.1437 64.3592 32.4779 175.9511 34 S 4.6977 7.3789 114.8401 56.9816 67.0969 172.3954 35 M 5.3480 8.3250 120.4350 54.5303 35.3719 173.8609 36 K 4.6040 9.5389 126.0939 55.1161 36.1864 174.1371 37 F 5.2994 8.7207 129.4983 56.4171 41.4659 174.5972 38 W 4.6630 8.2594 125.4235 54.4999 31.5765 176.8037 39 S 3.7321 8.7285 119.9229 60.8645 62.6174 174.5263 40 K 4.1425 7.6934 113.4053 54.8880 33.8445 173.5372 41 A 3.6629 8.3593 125.2907 51.2973 19.1063 176.6070 42 P 4.2317 0.0000 0.0000 62.2990 33.2673 177.7218 43 R 3.7675 8.5780 121.8051 60.2368 29.9072 177.4181 44 N 3.9992 8.2336 114.9578 57.4365 38.5572 176.0321 45 L 3.5036 7.4473 118.7919 57.9935 41.8975 179.7188 46 I 3.8023 7.2535 119.2924 64.3605 36.7588 178.4077 47 E 4.3470 7.8511 118.1997 59.6894 29.6396 179.0821 48 Q 4.1271 7.9754 118.0512 59.0821 28.5112 178.1158 49 H 4.0340 8.2008 118.3043 59.4557 30.0114 176.0527 50 Y 4.7001 7.7817 114.7798 56.8092 38.8162 175.3658 51 K 4.1111 7.3904 123.8043 56.7792 31.1191 174.5610 52 E 4.7247 8.2343 120.8172 57.3357 37.4300 176.4130 *58 Y 4.6823 7.7712 114.6102 56.3815 39.9127 176.2720 59 F 3.6793 8.1293 123.8732 61.8674 39.4854 176.7578 60 N 4.3382 8.4088 115.9198 55.8268 36.4654 176.5027 61 D 4.2685 7.7665 120.6522 57.3353 41.4135 177.7137 62 N 4.3178 7.9407 117.1279 56.8468 38.4917 176.3916 63 C 3.7257 7.7053 118.0922 62.9672 28.1477 175.9690 64 D 4.3559 7.7869 119.8120 57.2118 40.1660 178.6119 65 F 4.1826 7.5683 119.5806 61.5853 39.5881 176.8581 66 M 3.7353 7.9117 115.9910 56.8227 31.7563 177.5548 67 V 4.1200 6.7874 115.7681 63.3570 32.9601 176.4300 68 S 4.0695 7.8958 113.3850 61.2547 62.6613 177.4436 69 G 3.8447 7.7351 114.5538 42.7802 0.0000 170.8407 70 P 4.6123 0.0000 0.0000 62.5562 32.8383 175.2270 71 I 5.1284 8.2477 112.9442 59.6337 41.8900 173.8516 72 I 5.3680 8.8499 123.2871 59.7679 40.7615 174.5391 73 S 5.1797 9.4073 122.3073 56.8788 65.4358 173.3372 74 I 4.9738 9.0920 123.2845 59.5717 41.7482 174.4323 75 V 4.6654 8.3775 126.2429 61.5981 33.0634 174.0098 76 Y 5.0058 8.7170 126.5176 56.7542 40.1512 174.5040 77 E 5.1399 9.1326 123.3501 54.1963 33.1838 175.0931 78 G 4.5478 8.3838 112.8679 46.2872 0.0000 171.8948 79 T 4.3095 7.9289 116.8717 63.6840 69.6589 174.9681 80 D 4.7175 9.0706 124.9950 55.0650 40.1351 175.1251 81 A 3.6984 7.6308 121.1205 54.9772 18.3224 179.8818 82 I 3.5369 7.7169 117.5731 64.7780 37.2113 178.4577 83 S 4.0162 7.9111 112.7679 61.3911 62.5502 175.8645 84 K 3.8859 8.0718 121.0869 59.9666 31.8391 179.4084 85 I 3.5974 7.7778 119.8775 64.0849 36.8531 178.6189 86 R 3.8598 7.7797 118.8069 59.5023 29.6941 179.3447 87 R 3.9435 7.9170 116.5514 59.0574 30.2345 178.8286 88 L 4.1207 7.7198 118.8001 57.5461 41.5731 179.2452 89 Q 3.8897 8.4794 120.1356 59.8509 29.3102 176.2885 90 G 3.8071 8.4167 109.3073 46.3472 0.0000 170.8860 91 N 5.0546 8.1272 117.3697 51.0756 40.6288 175.3994 92 I 3.8839 8.3865 118.4020 63.9681 37.0843 177.3061 93 L 4.2867 7.9581 118.2199 55.2559 42.2887 176.7564 94 T 4.3271 7.7063 116.1750 61.0196 67.7136 172.6864 95 P 4.6395 0.0000 0.0000 63.3373 31.9669 177.2101 96 G 3.9743 10.0684 110.1448 45.5607 0.0000 174.2897 97 T 4.5591 7.2839 109.5245 59.6953 72.4584 175.4677 98 I 3.6538 8.4278 122.6114 64.8563 37.1467 179.2071 99 R 4.0789 8.1426 118.9243 58.9649 29.6531 179.3309 100 G 4.1452 7.9660 106.3452 47.1641 0.0000 174.8671 101 D 4.6286 8.4444 120.1481 55.2003 41.4676 177.3377 102 L 4.5603 8.0506 116.0815 54.1426 43.2162 175.8946 103 A 4.8696 7.8355 120.7522 50.5643 22.0955 175.5633 104 N 4.9999 8.1010 116.3206 51.4152 39.0840 174.1566 105 D 4.5054 7.4890 114.0097 53.3307 44.3487 175.0806 106 I 3.8913 8.3902 119.1872 62.7356 38.2805 176.5167 107 R 4.2269 8.2618 120.7194 58.1975 30.8692 177.2780 108 E 3.8054 7.7335 119.0310 54.8955 27.9331 175.8428 109 N 4.8609 7.9596 116.8746 52.0481 38.6485 177.8606 110 L 4.1816 9.4444 126.5022 56.3334 41.3813 174.2445 111 I 5.1469 8.0100 115.4787 59.9273 41.6281 173.6835 112 H 5.1092 9.4037 125.8158 54.3402 33.2457 171.9733 113 A 5.0198 7.9742 125.2398 49.7650 22.0692 175.8724 114 S 4.3463 8.5511 118.2254 59.4168 62.9824 174.7139 115 D 4.6034 8.8665 122.6789 54.5409 40.3480 176.5673 116 S 4.6157 7.4405 112.9571 56.0288 67.3287 174.7846 117 E 3.8870 8.7888 121.9454 59.7090 29.1273 179.2610 118 D 4.2479 7.9964 117.2094 57.4639 41.4458 177.9487 119 S 4.0633 7.9061 115.0719 61.7684 62.8527 176.4501 120 A 4.0140 8.6649 123.6020 55.4211 18.1857 179.8539 121 V 3.5705 7.7755 116.3345 66.3347 31.6021 178.0478 122 D 4.3899 8.1175 118.6007 57.4681 40.7926 178.6261 123 E 4.1597 8.9307 119.4612 59.6354 29.4797 179.5600 124 I 4.1723 8.4244 120.2368 64.3948 36.8885 178.7379 125 S 4.2985 7.8641 115.3607 61.5390 62.7301 176.3954 126 I 3.7069 7.9065 121.7383 63.8144 36.9495 177.8492 127 W 4.5057 8.0497 116.9286 56.7369 30.7843 176.9878 128 F 5.0570 8.4154 117.3244 55.1387 39.3654 172.7801 129 P 4.5015 0.0000 0.0000 62.8926 31.1952 177.3209 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 -4 Y 7.99 4.97 0.00 2.97 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 -3 K 8.96 3.71 0.00 1.93 1.97 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 -2 K 8.52 4.82 0.00 1.37 1.78 0.00 1.79 0.00 0.00 2.50 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.94 0.25 7.81 -1 A 6.72 3.80 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 0 G 8.11 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 0.00 0.00 0.00 1 L 8.62 4.75 0.00 1.63 1.65 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.44 4.68 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 3 R 8.59 5.17 0.00 1.81 1.77 0.00 3.24 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 4 T 9.05 4.77 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 1.13 0.00 0.00 5 L 8.43 5.17 0.00 1.98 1.59 1.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.08 5.07 2.34 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 1.07 0.00 0.00 1.04 0.00 0.00 7 L 9.07 5.00 0.00 1.47 1.34 0.43 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 8 I 9.00 4.55 1.99 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 1.28 0.69 0.83 0.00 0.00 9 K 8.70 4.41 0.00 2.18 1.85 0.00 1.98 0.00 0.00 2.00 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.53 7.81 10 P 0.00 4.64 0.00 1.77 1.95 0.00 3.34 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.06 0.00 11 D 8.55 4.53 0.00 3.01 3.24 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 12 A 8.25 4.03 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 13 F 8.23 4.04 0.00 3.40 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 14 E 8.53 4.12 0.00 2.07 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 0.00 2.39 2.42 0.00 15 R 8.29 4.38 0.00 1.89 1.96 0.00 3.40 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 16 S 7.73 3.73 0.00 4.03 3.93 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 17 L 8.21 4.60 0.00 1.60 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.77 3.35 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 0.93 0.00 0.00 -0.07 0.00 0.00 19 A 7.82 3.92 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 20 E 8.25 3.91 0.00 2.07 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 0.00 2.38 2.48 0.00 21 I 7.96 3.73 2.01 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 1.51 0.84 0.91 0.00 0.00 22 M 8.41 4.29 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 23 G 8.86 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.51 4.02 0.00 1.84 2.00 0.00 3.15 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 25 I 7.34 3.86 1.77 0.00 0.00 0.52 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 0.97 -0.01 0.00 0.00 26 E 8.39 4.06 0.00 2.19 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 0.00 2.36 2.45 0.00 27 K 8.40 4.06 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 28 K 7.58 4.11 0.00 1.92 2.13 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.76 1.36 7.81 29 N 8.12 4.21 0.00 2.82 2.59 0.00 0.00 7.12 7.23 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 30 F 8.06 4.64 0.00 3.03 3.05 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 0.00 0.00 0.00 0.00 31 K 8.28 4.58 0.00 1.19 0.98 0.00 0.92 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.33 7.81 32 I 8.04 4.20 1.94 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 0.88 0.68 0.77 0.00 0.00 33 V 8.56 4.15 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 0.68 0.00 0.00 0.95 0.00 0.00 34 S 7.38 4.70 0.00 2.72 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 35 M 8.33 5.35 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 36 K 9.54 4.60 0.00 2.13 1.62 0.00 1.28 0.00 0.00 0.91 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.39 1.13 7.81 37 F 8.72 5.30 0.00 3.09 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 38 W 8.26 4.66 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 39 S 8.73 3.73 0.00 3.97 4.03 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 40 K 7.69 4.14 0.00 1.65 1.68 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.22 7.81 41 A 8.36 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.23 0.00 1.87 1.86 0.00 2.71 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 43 R 8.58 3.77 0.00 1.85 1.88 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 44 N 8.23 4.00 0.00 2.73 2.59 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.45 3.50 0.00 1.05 0.27 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.25 3.80 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.32 0.80 0.00 0.00 47 E 7.85 4.35 0.00 2.23 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 0.00 2.61 2.59 0.00 48 Q 7.98 4.13 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 49 H 8.20 4.03 0.00 3.36 3.69 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.78 4.70 0.00 3.05 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 51 K 7.39 4.11 0.00 1.91 1.88 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.35 7.81 52 E 8.23 4.72 0.00 2.04 1.94 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 2.24 2.35 0.00 *58 Y 7.77 4.68 0.00 3.25 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 59 F 8.13 3.68 0.00 2.88 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 60 N 8.41 4.34 0.00 3.07 3.20 0.00 0.00 5.79 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 61 D 7.77 4.27 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.94 4.32 0.00 2.84 2.62 0.00 0.00 7.28 8.27 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 63 C 7.71 3.73 0.00 2.92 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 64 D 7.79 4.36 0.00 2.94 2.72 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 65 F 7.57 4.18 0.00 2.97 3.22 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 66 M 7.91 3.74 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 67 V 6.79 4.12 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 0.80 0.00 0.00 0.86 0.00 0.00 68 S 7.90 4.07 0.00 4.07 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 69 G 7.74 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.61 0.00 1.31 1.93 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.54 0.00 71 I 8.25 5.13 1.91 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 1.11 0.94 0.79 0.00 0.00 72 I 8.85 5.37 2.13 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 1.10 0.00 0.00 73 S 9.41 5.18 0.00 3.82 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 74 I 9.09 4.97 1.80 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.06 0.00 0.00 75 V 8.38 4.67 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.36 0.00 0.00 76 Y 8.72 5.01 0.00 2.91 2.72 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 77 E 9.13 5.14 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 78 G 8.38 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 4.31 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 80 D 9.07 4.72 0.00 2.91 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 81 A 7.63 3.70 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 82 I 7.72 3.54 1.99 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 1.39 1.10 0.93 0.00 0.00 83 S 7.91 4.02 0.00 3.86 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 84 K 8.07 3.89 0.00 1.89 2.05 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.77 1.88 7.81 85 I 7.78 3.60 1.65 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.04 0.64 0.00 0.00 86 R 7.78 3.86 0.00 2.13 1.95 0.00 3.28 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 87 R 7.92 3.94 0.00 1.94 1.99 0.00 3.17 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 88 L 7.72 4.12 0.00 1.78 1.65 0.93 0.60 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 89 Q 8.48 3.89 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 90 G 8.42 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 91 N 8.13 5.05 0.00 2.90 2.90 0.00 0.00 5.98 7.54 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 92 I 8.39 3.88 1.86 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 0.79 0.90 0.00 0.00 93 L 7.96 4.29 0.00 1.73 1.71 0.92 0.91 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 94 T 7.71 4.33 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 95 P 0.00 4.64 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 96 G 10.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.28 4.56 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 1.30 0.00 0.00 98 I 8.43 3.65 1.86 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 1.51 0.67 0.91 0.00 0.00 99 R 8.14 4.08 0.00 1.99 1.98 0.00 3.35 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 100 G 7.97 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.44 4.63 0.00 2.66 2.72 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 0.00 102 L 8.05 4.56 0.00 1.69 1.68 0.92 0.58 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 0.00 103 A 7.84 4.87 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 0.00 104 N 8.10 5.00 0.00 2.60 2.69 0.00 0.00 6.77 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 0.00 105 D 7.49 4.51 0.00 2.55 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.39 3.89 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.89 0.00 0.00 107 R 8.26 4.23 0.00 1.63 1.84 0.00 3.19 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.00 108 E 7.73 3.81 0.00 1.74 1.71 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 1.47 1.47 0.00 109 N 7.96 4.86 0.00 2.94 3.18 0.00 0.00 6.16 6.67 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 0.00 110 L 9.44 4.18 0.00 1.93 1.89 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.01 5.15 1.89 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 1.12 0.82 0.98 0.00 0.00 112 H 9.40 5.11 0.00 3.35 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.97 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.55 4.35 0.00 3.78 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.87 4.60 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 0.00 116 S 7.44 4.62 0.00 4.03 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 0.00 117 E 8.79 3.89 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 118 D 8.00 4.25 0.00 2.79 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 0.00 119 S 7.91 4.06 0.00 4.07 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 0.00 120 A 8.66 4.01 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 0.00 121 V 7.78 3.57 2.24 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 1.05 0.00 0.00 1.06 0.00 0.00 122 D 8.12 4.39 0.00 2.88 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 0.00 123 E 8.93 4.16 0.00 2.16 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 0.00 2.25 2.41 0.00 124 I 8.42 4.17 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 1.68 0.82 1.08 0.00 0.00 125 S 7.86 4.30 0.00 4.10 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 0.00 126 I 7.91 3.71 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.22 0.00 0.00 127 W 8.05 4.51 0.00 3.06 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 0.00 128 F 8.42 5.06 0.00 3.23 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 0.00 129 P 0.00 4.50 0.00 2.22 2.17 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.