NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2934 8.3344 115.4115 57.7421 64.2529 172.9581 2 M 3.8431 8.5663 121.2978 56.1291 31.5547 174.3323 3 Q 4.5434 8.6826 124.1144 55.6642 31.4731 175.7450 4 D 4.5412 7.5184 118.1785 51.2666 42.1523 173.2121 5 P 4.0989 0.0000 0.0000 65.3941 31.6121 178.3643 6 I 3.6299 7.8130 118.9875 64.2088 36.9631 177.9373 7 A 3.9522 8.2765 121.5311 55.1374 18.1479 179.1221 8 D 4.6842 7.5851 117.5559 57.0442 41.1281 178.1195 9 M 3.9502 7.8156 118.1464 58.7034 32.2913 178.1761 10 L 3.9349 7.7049 118.8435 57.9640 41.8436 179.6342 11 T 3.8406 8.1562 110.0098 64.9792 68.7189 176.5114 12 R 3.9239 8.3913 121.4200 59.0023 30.0538 179.2028 13 I 3.7102 7.5354 119.4317 64.2647 37.0749 178.3191 14 R 3.8354 7.8902 119.5096 59.7245 29.8106 178.3772 15 N 4.5177 8.4896 116.2796 55.7681 38.4422 177.9011 16 G 3.6060 7.9175 107.2565 48.0971 0.0000 175.8599 17 Q 4.1432 8.7053 121.4553 58.4414 28.4016 179.1763 18 A 4.0769 7.7369 121.1347 54.6161 18.5188 178.5437 19 A 4.3667 7.5439 116.3887 51.1565 19.2459 176.7224 20 N 4.5752 7.8514 113.6126 53.4566 36.7289 174.9983 21 K 4.1617 8.1408 116.8929 56.0099 33.0366 177.3146 22 A 4.2595 8.9205 126.5618 55.3232 19.0225 175.3313 23 A 4.9447 7.1971 118.2824 51.8899 23.2351 176.0948 24 V 4.1191 7.9714 109.1101 62.3190 35.0529 172.8394 25 T 5.3424 8.6856 121.9743 61.4813 71.1799 173.1838 26 M 4.3398 7.9134 118.6577 53.9764 34.0486 172.2281 27 P 4.6154 0.0000 0.0000 62.9676 31.4860 175.9290 28 S 4.4712 9.0727 120.9694 58.2948 63.5581 173.3941 29 S 4.5870 8.7170 113.5519 56.5120 65.0574 177.3160 30 K 3.8661 7.4503 120.8990 59.4726 32.3107 177.6592 31 L 3.8965 7.9385 119.4824 58.4094 42.2024 179.4057 32 K 3.7967 7.5112 117.4250 59.6632 31.9692 179.1854 33 V 3.3238 7.7740 117.7525 65.9953 31.6758 177.5176 34 A 3.9492 8.0412 120.3613 55.7132 18.0059 179.7679 35 I 3.7085 7.8962 117.6526 64.3237 37.1242 178.4539 36 A 3.7592 7.6835 121.6516 54.9028 17.9845 179.1929 37 N 4.2853 7.9270 115.1243 56.7694 38.8773 177.5305 38 V 3.6609 7.3054 118.1593 66.2624 31.5322 178.0638 39 L 4.3113 7.6906 118.3962 57.3981 41.2990 179.5192 40 K 4.0409 8.2045 119.7917 59.5913 32.1901 178.5282 41 E 4.2314 8.5045 116.0958 57.7845 29.3982 177.7336 42 E 4.5237 7.4763 116.5710 54.9477 30.5651 176.1321 43 G 3.7899 7.9837 107.0922 46.4919 0.0000 175.0048 44 F 4.6078 8.1566 120.6089 58.2470 39.5878 176.2055 45 I 4.5792 7.4206 111.8774 58.9953 40.0600 175.3330 46 E 4.1563 8.8515 123.5813 58.8035 29.3574 177.2042 47 D 4.8742 9.1275 117.0174 54.1782 45.5900 172.9363 48 F 5.3745 7.9315 112.5887 55.9437 40.9146 173.7664 49 K 4.5889 9.1739 122.2382 54.9269 36.0509 175.2100 50 V 4.5650 8.4598 127.0697 60.5584 32.3364 174.9171 51 E 4.2600 8.9020 131.3176 56.1875 32.5098 174.4527 52 G 4.6622 8.7801 107.7289 46.0180 0.0000 172.4634 53 D 4.6370 8.7378 119.2175 55.5473 42.4182 177.1996 54 T 4.4800 7.7988 108.8632 61.7600 68.7129 174.3733 55 K 4.4735 7.4477 119.6615 54.2086 33.4729 171.4427 56 P 5.4340 0.0000 0.0000 62.3531 32.7415 175.1522 57 E 5.0076 8.8323 124.5045 54.3080 32.1260 174.7030 58 L 4.7231 9.4228 128.6945 53.9675 43.6292 175.0682 59 E 4.4870 9.6359 129.9155 55.3491 30.6003 174.8950 60 L 5.0389 9.1556 131.7451 53.3217 43.5504 175.3064 61 T 4.3495 8.5480 117.7027 61.2761 69.4548 174.4212 62 L 4.5129 8.1406 125.6335 54.7722 42.9050 176.6475 63 K 4.8474 8.1141 119.9446 55.1346 36.1369 174.6164 64 Y 5.2082 8.5473 122.2807 56.4376 43.3218 172.7012 65 F 5.0010 8.8344 128.0259 58.8446 38.5515 178.8151 66 Q 4.4746 8.9963 122.0497 55.4319 27.8433 177.6754 67 G 3.9540 8.5842 113.3617 45.2470 0.0000 171.8969 68 K 4.2610 7.3525 117.5225 55.7150 35.2514 173.3030 69 A 4.6612 8.5148 124.9994 51.0499 19.8273 178.1972 70 V 3.6066 8.0606 120.1108 66.0455 31.6273 177.6546 71 V 3.8118 7.8684 124.5767 62.5729 30.0288 174.9904 72 E 4.3555 8.0845 125.5990 57.0047 30.6364 176.7563 73 S 4.4620 8.0554 115.4126 57.1589 66.1214 173.0901 74 I 5.1205 8.0424 127.8936 60.8075 40.1128 173.4885 75 Q 4.5938 8.4338 128.0792 53.6165 32.8987 175.1622 76 R 3.9546 8.6119 122.9591 57.0157 30.5462 174.3135 77 V 3.9336 8.4175 120.6065 63.5995 32.8753 176.4243 78 S 4.2713 7.1924 116.7820 57.3379 61.1574 173.7778 79 R 4.0886 7.2274 118.3580 54.8864 30.6486 174.7832 80 P 4.3351 0.0000 0.0000 62.9193 31.9645 176.6302 81 G 3.9996 8.5329 103.5941 45.4540 0.0000 173.8237 82 L 4.9968 6.7614 121.0597 55.0782 44.5625 173.7649 83 R 4.1618 7.7828 119.7791 55.7655 31.1082 176.3401 84 I 4.5218 8.3087 121.1224 59.6847 40.6936 174.2116 85 Y 5.0287 8.5752 123.1851 56.2661 41.5779 174.7402 86 K 4.7607 8.8310 122.0919 54.7256 36.5182 175.3434 87 R 4.7429 8.2647 119.8668 54.4269 32.1831 177.9711 88 K 3.8443 8.8392 120.1496 60.1376 32.3476 177.3737 89 D 4.8333 7.9870 116.1031 53.0958 39.4018 176.0379 90 E 4.7443 8.5744 117.6650 56.4424 31.1972 175.3244 91 L 4.2958 8.0110 119.2041 53.4738 42.4649 175.4355 92 P 4.3145 0.0000 0.0000 62.5215 31.9797 176.2452 93 K 4.3006 8.0363 119.3699 54.3054 33.2561 176.1879 94 V 3.3427 8.0009 124.7013 63.9895 32.5619 175.6818 95 M 3.0467 9.3597 125.9967 57.3628 30.4278 176.5273 96 A 3.9194 9.1423 114.6707 53.1127 16.9508 177.6642 97 G 4.1034 8.1488 109.1683 47.2999 0.0000 177.0896 98 L 3.9279 8.1701 119.2720 56.4409 41.7075 176.8748 99 G 4.2338 7.2734 107.0481 43.5287 0.0000 171.7802 100 I 4.9108 8.4976 111.6423 58.9350 41.5345 174.9080 101 A 4.9922 9.1372 123.4701 48.7800 21.6838 175.5008 102 V 3.7246 8.5197 121.8228 64.4933 32.7845 174.9104 103 V 4.6696 9.1096 127.9672 61.2087 34.5731 174.3776 104 S 5.0095 9.1246 123.9072 57.5917 62.6441 173.3037 105 T 4.4509 8.6973 118.4184 59.7898 70.9501 175.8880 106 S 4.3679 8.8005 115.7578 60.3357 62.3802 174.5364 107 K 4.2216 8.2500 117.4842 56.3365 32.6413 175.3994 108 G 3.7766 7.5912 105.3978 43.2303 0.0000 172.6200 109 V 4.4844 8.0721 120.9309 62.3107 31.6690 175.0376 110 M 5.0867 8.9104 125.4455 53.1960 35.3255 174.7747 111 T 4.4796 8.3466 108.9384 61.3306 70.3547 175.2219 112 D 4.3674 8.6640 124.4592 57.0555 39.2893 178.8950 113 R 3.8341 8.1674 119.9164 58.9403 29.9218 177.9174 114 A 4.0012 7.8633 119.4113 55.2018 18.0298 179.2754 115 A 3.9483 8.1919 119.2343 55.5020 18.2539 179.7243 116 R 3.9228 8.4030 116.1232 59.4705 30.3037 178.0568 117 Q 4.2853 7.6252 116.3620 57.7921 28.9518 177.2789 118 A 4.2190 7.8965 118.3309 51.8278 18.5092 177.1632 119 G 3.9834 8.0640 105.9473 45.9582 0.0000 173.8368 120 L 4.6526 7.6822 115.8091 54.1479 43.9240 175.4273 121 G 4.1292 8.2185 107.8412 45.0390 0.0000 171.3104 122 G 4.1530 7.5805 103.2836 46.0047 0.0000 171.6529 123 E 4.7986 7.9394 121.3867 54.8718 30.4536 177.2990 124 I 4.3135 8.2746 127.8675 62.1432 37.9440 175.4399 125 I 4.5309 8.1762 119.4698 62.6854 42.3124 175.2398 126 C 4.6554 7.1467 113.9484 58.0446 32.7758 172.1725 127 Y 5.1393 7.9326 115.9748 56.4984 40.3593 175.4806 128 V 4.2277 8.4363 125.6008 61.1192 31.9718 175.6344 129 A 4.5119 8.6480 129.8711 52.0079 19.2433 176.1377 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 S 8.33 4.29 0.00 3.99 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 2 M 8.57 3.84 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 3 Q 8.68 4.54 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.58 0.00 4 D 7.52 4.54 0.00 2.62 2.46 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 5 P 0.00 4.10 0.00 2.28 2.28 0.00 3.74 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 2.05 2.04 0.00 6 I 7.81 3.63 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.84 0.00 0.00 7 A 8.28 3.95 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 8 D 7.59 4.68 0.00 2.73 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 9 M 7.82 3.95 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 10 L 7.70 3.93 0.00 1.83 1.63 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.16 3.84 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 1.25 0.00 0.00 12 R 8.39 3.92 0.00 2.04 2.03 0.00 3.45 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 13 I 7.54 3.71 1.92 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 1.38 0.83 0.86 0.00 0.00 14 R 7.89 3.84 0.00 1.85 1.89 0.00 3.07 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 1.61 1.66 0.00 15 N 8.49 4.52 0.00 2.83 2.85 0.00 0.00 6.97 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 16 G 7.92 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.71 4.14 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 18 A 7.74 4.08 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 19 A 7.54 4.37 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 20 N 7.85 4.58 0.00 2.76 2.70 0.00 0.00 6.99 7.75 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 21 K 8.14 4.16 0.00 1.98 1.99 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.57 7.81 22 A 8.92 4.26 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 23 A 7.20 4.94 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 24 V 7.97 4.12 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 0.74 0.00 0.00 0.94 0.00 0.00 25 T 8.69 5.34 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 1.28 0.00 0.00 26 M 7.91 4.34 0.00 2.03 2.11 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 2.41 2.55 0.00 27 P 0.00 4.62 0.00 2.10 2.16 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 28 S 9.07 4.47 0.00 3.88 3.89 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 29 S 8.72 4.59 0.00 3.94 3.89 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 30 K 7.45 3.87 0.00 1.86 1.74 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.56 7.81 31 L 7.94 3.90 0.00 1.78 1.66 0.90 0.54 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 32 K 7.51 3.80 0.00 2.17 1.82 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 33 V 7.77 3.32 2.26 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 1.22 0.00 0.00 1.04 0.00 0.00 34 A 8.04 3.95 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 35 I 7.90 3.71 1.95 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 1.54 0.83 0.00 0.00 36 A 7.68 3.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.93 4.29 0.00 2.99 2.93 0.00 0.00 6.62 7.77 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 38 V 7.31 3.66 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 39 L 7.69 4.31 0.00 1.90 1.77 0.83 1.10 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 40 K 8.20 4.04 0.00 2.12 2.17 0.00 1.76 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.62 7.81 41 E 8.50 4.23 0.00 1.97 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 2.61 2.54 0.00 42 E 7.48 4.52 0.00 2.32 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 43 G 7.98 3.79 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 0.00 0.00 0.00 44 F 8.16 4.61 0.00 3.25 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 45 I 7.42 4.58 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 0.95 0.00 0.00 46 E 8.85 4.16 0.00 2.04 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 0.00 2.42 2.65 0.00 47 D 9.13 4.87 0.00 2.71 2.50 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 0.00 48 F 7.93 5.37 0.00 3.11 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 49 K 9.17 4.59 0.00 1.78 1.61 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.41 7.81 50 V 8.46 4.57 2.17 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 0.81 0.00 0.00 0.97 0.00 0.00 51 E 8.90 4.26 0.00 2.08 1.91 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 2.30 2.27 0.00 52 G 8.78 4.66 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 53 D 8.74 4.64 0.00 2.63 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 54 T 7.80 4.48 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 55 K 7.45 4.47 0.00 1.76 1.66 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 56 P 0.00 5.43 0.00 2.13 2.22 0.00 3.83 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 2.08 1.85 0.00 57 E 8.83 5.01 0.00 1.98 1.91 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 2.31 2.34 0.00 58 L 9.42 4.72 0.00 1.73 1.58 0.90 0.54 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 59 E 9.64 4.49 0.00 2.21 1.88 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 2.31 2.28 0.00 60 L 9.16 5.04 0.00 1.83 1.58 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.55 4.35 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 1.26 0.00 0.00 62 L 8.14 4.51 0.00 1.99 1.60 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.11 4.85 0.00 1.90 1.76 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 64 Y 8.55 5.21 0.00 3.05 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 65 F 8.83 5.00 0.00 2.95 2.42 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 66 Q 9.00 4.47 0.00 2.17 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.43 0.00 0.00 0.00 0.00 0.00 2.07 1.73 0.00 67 G 8.58 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 68 K 7.35 4.26 0.00 1.86 1.72 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.47 7.81 69 A 8.51 4.66 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.06 3.61 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 0.99 0.00 0.00 0.99 0.00 0.00 71 V 7.87 3.81 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 0.63 0.00 0.00 0.92 0.00 0.00 72 E 8.08 4.36 0.00 2.25 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 2.25 2.39 0.00 73 S 8.06 4.46 0.00 3.89 3.69 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 74 I 8.04 5.12 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.64 0.82 0.00 0.00 75 Q 8.43 4.59 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 76 R 8.61 3.95 0.00 1.70 1.73 0.00 3.42 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 77 V 8.42 3.93 1.66 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 0.56 0.00 0.00 -0.26 0.00 0.00 78 S 7.19 4.27 0.00 3.72 3.73 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 79 R 7.23 4.09 0.00 1.90 1.85 0.00 3.05 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 80 P 0.00 4.34 0.00 2.22 2.23 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 2.04 1.94 0.00 81 G 8.53 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 82 L 6.76 5.00 0.00 1.53 1.54 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.78 4.16 0.00 1.93 1.46 0.00 3.28 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 84 I 8.31 4.52 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.10 0.86 0.00 0.00 85 Y 8.58 5.03 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.83 4.76 0.00 1.72 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.61 7.81 87 R 8.26 4.74 0.00 1.78 1.85 0.00 3.17 0.00 0.00 3.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 88 K 8.84 3.84 0.00 1.87 1.87 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.45 7.81 89 D 7.99 4.83 0.00 2.79 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 90 E 8.57 4.74 0.00 2.10 1.93 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 2.24 2.27 0.00 91 L 8.01 4.30 0.00 1.64 1.61 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.31 0.00 1.95 2.07 0.00 3.75 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 2.04 2.17 0.00 93 K 8.04 4.30 0.00 1.66 1.71 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.34 7.81 94 V 8.00 3.34 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 0.97 0.00 0.00 0.69 0.00 0.00 95 M 9.36 3.05 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 96 A 9.14 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 97 G 8.15 4.10 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 0.00 0.00 0.00 98 L 8.17 3.93 0.00 1.70 1.74 0.91 0.88 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 99 G 7.27 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 0.00 0.00 0.00 0.00 100 I 8.50 4.91 1.97 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 1.60 0.80 1.06 0.00 0.00 101 A 9.14 4.99 1.40 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 0.00 0.00 0.00 102 V 8.52 3.72 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 0.90 0.00 0.00 0.91 0.00 0.00 103 V 9.11 4.67 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 1.05 0.00 0.00 1.07 0.00 0.00 104 S 9.12 5.01 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 0.00 105 T 8.70 4.45 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 0.00 106 S 8.80 4.37 0.00 3.86 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 0.00 107 K 8.25 4.22 0.00 1.79 1.84 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 108 G 7.59 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.07 4.48 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 0.82 0.00 0.00 0.93 0.00 0.00 110 M 8.91 5.09 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 111 T 8.35 4.48 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 1.24 0.00 0.00 112 D 8.66 4.37 0.00 2.85 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.17 3.83 0.00 1.90 2.00 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 114 A 7.86 4.00 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 0.00 115 A 8.19 3.95 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 0.00 116 R 8.40 3.92 0.00 1.88 2.19 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 117 Q 7.63 4.29 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 118 A 7.90 4.22 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 0.00 119 G 8.06 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 0.00 120 L 7.68 4.65 0.00 1.66 1.60 0.93 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 0.00 121 G 8.22 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 0.00 0.00 0.00 122 G 7.58 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 0.00 123 E 7.94 4.80 0.00 2.35 1.90 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 2.05 1.47 0.00 124 I 8.27 4.31 1.78 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 1.39 0.65 0.94 0.00 0.00 125 I 8.18 4.53 1.98 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 1.21 0.89 0.83 0.00 0.00 126 C 7.15 4.66 0.00 2.93 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 0.00 127 Y 7.93 5.14 0.00 2.88 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 0.00 128 V 8.44 4.23 1.63 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 -0.22 0.00 0.00 0.72 0.00 0.00 129 A 8.65 4.51 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