NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0438 8.0549 117.8891 60.6624 32.8989 174.3214 4 I 4.4817 7.4227 122.7667 57.8728 40.3982 175.0312 5 N 5.0002 8.3660 120.9390 52.2492 39.1114 173.8653 6 T 4.5391 7.7092 109.7715 60.6999 72.2288 175.0283 7 F 4.2673 8.3781 119.4314 61.0204 38.9247 177.6709 8 D 4.5466 8.3291 117.9789 57.2553 40.8509 178.8279 9 G 3.7091 8.0389 106.0034 47.9604 0.0000 175.9287 10 V 3.6444 7.9448 121.0626 65.3575 31.6092 177.6073 11 A 4.0736 8.0880 120.6025 55.6889 18.3399 179.3716 12 D 4.2869 8.4042 117.2662 57.5197 40.7641 178.5190 13 Y 3.8935 7.9860 119.5932 60.7097 38.8357 177.9345 14 L 3.8497 8.4030 120.2909 58.0479 41.5035 179.7010 15 Q 3.5689 7.5206 116.2747 58.5572 28.6296 178.2720 16 T 3.6604 6.9673 115.2403 65.1938 68.1711 175.8799 17 Y 4.2570 7.5901 116.8448 56.5620 38.5484 175.5849 18 H 2.8944 7.2837 116.5269 55.6501 26.9309 174.4034 19 K 4.4894 6.7821 111.3425 56.2571 35.3555 174.6521 20 L 4.2410 8.4327 119.9547 53.6474 42.2763 175.2877 21 P 3.9169 0.0000 0.0000 62.1503 31.8022 177.5675 22 D 4.4189 8.3015 119.3515 57.0070 40.9260 177.3743 23 N 4.5362 8.0465 115.3046 53.3616 37.5355 173.6502 24 Y 5.1169 7.3656 116.7007 56.9374 40.1372 175.0842 25 I 4.9611 8.3541 114.4829 59.5992 41.7220 174.6929 26 T 4.6720 8.5883 114.0981 60.6429 70.1512 175.8751 27 K 4.0674 9.4421 121.8279 59.7002 32.0360 180.0142 28 S 4.2230 8.1637 114.0702 61.1300 62.8796 176.0992 29 E 3.9170 8.0761 123.0173 59.2448 29.4104 178.6607 30 A 4.0553 8.1284 120.8198 55.2738 18.3949 179.6008 31 Q 4.3719 9.0545 118.0366 58.5572 28.5691 178.8078 32 A 4.0575 7.9516 120.7707 55.2033 18.6055 179.1956 33 L 4.2677 8.0123 114.7630 55.6275 41.7179 177.7960 34 G 3.9438 8.0371 107.4920 45.3480 0.0000 173.3416 35 W 4.5120 8.6814 130.5388 56.4229 31.4178 175.2042 36 V 3.9419 9.0108 125.3467 60.5183 32.1918 175.4137 37 A 3.6435 7.5822 130.1084 55.5391 18.1211 179.8195 38 S 4.3348 8.0248 112.1060 61.3953 63.0278 176.1914 39 K 4.3173 8.0160 120.2816 53.6553 31.9870 181.9108 40 G 3.0886 7.8196 106.1561 47.2794 0.0000 174.3519 41 N 4.9030 7.9794 113.1962 52.0970 38.2074 175.9765 42 L 3.8965 8.6047 122.5925 58.9375 41.8315 178.8339 43 A 4.3302 8.0991 117.4539 53.7628 18.7190 177.9129 44 D 4.5534 8.5033 116.3427 56.6028 41.2776 178.3015 45 V 4.0012 7.7448 109.2915 62.4684 33.0797 176.3549 46 A 4.6786 8.4814 123.3904 49.2321 19.1182 174.0410 47 P 4.3325 0.0000 0.0000 64.2283 31.7983 177.8405 48 G 3.8829 8.8809 109.7878 45.2486 0.0000 173.1454 49 K 4.6410 7.6609 118.7148 55.4484 33.7464 176.3341 50 S 4.6036 8.3622 118.0012 56.4741 67.5102 173.3345 51 I 4.2292 7.8976 123.1912 61.3509 38.1285 175.3056 52 G 4.2767 10.0220 113.0637 46.6245 0.0000 174.3263 53 G 4.4521 9.5853 110.1164 44.3928 0.0000 173.6581 54 D 4.8006 7.8656 119.4244 53.4398 42.5806 175.9346 55 I 4.2088 8.3719 122.3710 61.5238 38.0592 175.2301 56 F 4.7446 8.8617 129.4556 56.3029 40.0932 175.3121 57 S 3.9609 8.2078 121.9327 59.8315 63.3118 173.9834 58 N 3.9242 6.7300 119.7108 55.0262 36.2440 175.8712 59 R 4.2633 7.5505 114.9556 57.4301 30.2510 179.4050 60 E 4.1462 8.1971 114.3619 57.5288 29.8313 176.8115 61 G 4.0242 7.4532 105.0776 46.2635 0.0000 175.1316 62 K 4.1291 8.2495 119.8351 57.7805 32.5083 177.3547 63 L 4.0664 7.2758 118.4258 51.2855 43.4390 174.4775 64 P 4.2505 0.0000 0.0000 63.0421 31.4750 176.4997 65 G 4.1148 8.2323 112.1812 43.5871 0.0000 172.1535 66 K 4.1712 7.9732 117.6631 55.4861 34.4288 173.6717 67 S 4.1683 8.8895 120.8327 60.4362 62.8472 174.8953 68 G 3.8041 8.8110 112.5882 45.7226 0.0000 172.6048 69 R 3.9991 8.1851 120.6879 55.5383 30.9101 175.6060 70 T 4.6135 8.3494 121.9041 61.5022 71.6238 173.0973 71 W 5.1513 8.6028 124.4613 55.1151 32.1735 175.1066 72 R 5.1978 8.6215 121.7462 54.3350 34.2910 173.8641 73 E 5.3945 9.0858 117.9610 54.9694 33.8048 174.3082 74 A 5.0329 8.7994 120.5804 50.6217 23.0161 175.4861 75 D 4.9829 8.9156 122.2809 54.4460 41.5576 176.4940 76 V 4.4028 7.8021 114.9944 60.3907 35.0597 175.6271 77 N 4.2517 9.3892 120.1031 53.8966 36.5691 173.8688 78 Y 4.3623 7.8417 119.7960 57.5652 39.6636 173.9916 79 T 4.1118 7.4270 115.1725 62.3558 70.5722 173.7627 80 S 4.0021 7.0232 113.0217 57.4998 65.9049 175.6827 81 G 3.9014 8.5874 106.8366 46.0856 0.0000 173.4133 82 F 4.4664 8.5958 121.0712 56.9481 39.7963 175.4735 83 R 4.1113 8.8378 122.8402 56.8077 30.5864 177.0279 84 N 4.8952 8.5715 118.5563 52.4293 39.8576 175.1683 85 S 4.3141 8.4891 114.0922 58.6011 64.6940 172.8745 86 D 5.2052 8.3958 121.6883 53.9633 42.3777 175.7940 87 R 5.0958 9.2723 121.3716 54.6832 35.2864 173.6371 88 I 5.1208 9.3403 123.4020 59.5620 40.4027 174.0116 89 L 5.4599 9.4954 129.7119 53.1953 43.9368 175.0412 90 Y 5.7303 9.1573 122.1441 55.3577 41.6723 175.2640 91 S 4.0283 8.4463 117.3583 56.6821 64.7810 175.3679 92 S 3.4869 7.9241 115.3499 60.3800 62.6514 174.9066 93 D 4.5560 7.2715 118.6123 52.0893 39.3151 175.7891 94 W 3.8298 6.6682 116.8732 58.3387 27.4320 174.3851 95 L 4.5932 7.8678 117.4930 54.4669 42.9669 176.3806 96 I 5.4588 8.4592 122.2056 60.0093 40.3181 174.3416 97 Y 5.3415 9.6892 124.2445 56.0365 42.3092 174.5061 98 K 5.3237 9.2225 119.3226 55.7469 36.7283 175.0028 99 T 4.8718 8.9990 115.0332 60.5077 70.8464 174.0423 100 T 4.9357 8.4532 115.7496 61.1851 69.5060 173.3676 101 D 4.6711 7.1613 121.1669 54.2082 40.1775 174.6685 102 H 3.4650 8.2563 112.0783 58.6201 26.4883 174.8838 103 Y 3.1537 7.1254 110.0278 58.9437 36.7162 172.2417 104 Q 4.1478 7.7808 120.0710 58.4336 28.9759 176.7321 105 T 4.6354 7.9774 105.6826 59.5772 71.6708 172.8684 106 F 5.3185 8.5033 120.3498 56.2375 43.0600 174.3854 107 T 4.7957 9.0000 116.9801 61.6255 72.7090 173.1221 108 K 3.5247 8.5107 127.0316 55.7457 32.3300 176.3982 109 I 4.3471 8.3285 119.6853 60.8755 39.2224 175.8328 110 R 4.1795 7.5339 125.1753 56.5707 31.0890 174.5478 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 3 V 8.05 4.04 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.42 4.48 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.97 0.00 0.00 5 N 8.37 5.00 0.00 2.76 2.82 0.00 0.00 5.94 7.22 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 6 T 7.71 4.54 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 1.20 0.00 0.00 7 F 8.38 4.27 0.00 3.14 3.11 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 0.00 0.00 0.00 0.00 8 D 8.33 4.55 0.00 2.75 2.77 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 9 G 8.04 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 10 V 7.94 3.64 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 0.87 0.00 0.00 1.08 0.00 0.00 11 A 8.09 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.40 4.29 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 13 Y 7.99 3.89 0.00 3.30 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 14 L 8.40 3.85 0.00 1.91 1.71 0.60 0.67 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 15 Q 7.52 3.57 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 16 T 6.97 3.66 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 0.34 0.00 0.00 17 Y 7.59 4.26 0.00 2.20 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.28 2.89 0.00 3.20 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 6.78 4.49 0.00 1.92 1.84 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.54 7.81 20 L 8.43 4.24 0.00 1.67 1.55 0.77 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.92 0.00 2.27 1.24 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.54 0.00 22 D 8.30 4.42 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.05 4.54 0.00 2.79 2.88 0.00 0.00 6.18 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 24 Y 7.37 5.12 0.00 3.04 2.94 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 25 I 8.35 4.96 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.90 0.00 0.00 26 T 8.59 4.67 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 27 K 9.44 4.07 0.00 2.01 2.30 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.59 1.73 7.81 28 S 8.16 4.22 0.00 4.11 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 29 E 8.08 3.92 0.00 2.20 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 2.33 2.36 0.00 30 A 8.13 4.06 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 31 Q 9.05 4.37 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 32 A 7.95 4.06 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 33 L 8.01 4.27 0.00 1.91 1.80 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.04 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 35 W 8.68 4.51 0.00 3.33 3.25 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 36 V 9.01 3.94 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 0.82 0.00 0.00 0.92 0.00 0.00 37 A 7.58 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.02 4.33 0.00 3.86 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 39 K 8.02 4.32 0.00 1.78 1.70 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.24 7.81 40 G 7.82 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 0.00 0.00 0.00 41 N 7.98 4.90 0.00 2.89 3.01 0.00 0.00 5.71 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 42 L 8.60 3.90 0.00 1.42 1.71 0.52 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.10 4.33 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 44 D 8.50 4.55 0.00 2.86 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 45 V 7.74 4.00 2.29 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 0.79 0.00 0.00 1.11 0.00 0.00 46 A 8.48 4.68 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.33 0.00 2.16 2.09 0.00 3.81 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 1.99 1.99 0.00 48 G 8.88 3.88 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 0.00 0.00 0.00 49 K 7.66 4.64 0.00 1.87 1.62 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.38 7.81 50 S 8.36 4.60 0.00 2.94 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 51 I 7.90 4.23 1.79 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.01 0.83 0.00 0.00 52 G 10.02 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 0.00 0.00 0.00 0.00 53 G 9.59 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.87 4.80 0.00 2.71 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 55 I 8.37 4.21 1.88 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 1.24 0.74 0.97 0.00 0.00 56 F 8.86 4.74 0.00 2.91 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 57 S 8.21 3.96 0.00 3.83 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 58 N 6.73 3.92 0.00 2.92 2.86 0.00 0.00 7.31 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 59 R 7.55 4.26 0.00 1.87 1.82 0.00 3.31 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 60 E 8.20 4.15 0.00 1.97 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 0.00 2.33 2.34 0.00 61 G 7.45 4.02 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 0.00 0.00 0.00 62 K 8.25 4.13 0.00 1.98 2.16 0.00 1.99 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.56 7.81 63 L 7.28 4.07 0.00 0.70 0.13 -0.71 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.25 0.00 2.31 2.14 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 65 G 8.23 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.97 4.17 0.00 1.74 1.55 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.20 1.23 7.81 67 S 8.89 4.17 0.00 3.87 3.82 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 68 G 8.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.19 4.00 0.00 1.51 1.82 0.00 3.07 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.96 0.00 70 T 8.35 4.61 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 1.14 0.00 0.00 71 W 8.60 5.15 0.00 3.45 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 72 R 8.62 5.20 0.00 0.67 1.57 0.00 3.06 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.00 73 E 9.09 5.39 0.00 2.11 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 2.44 2.36 0.00 74 A 8.80 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.92 4.98 0.00 2.72 2.63 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 76 V 7.80 4.40 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.42 0.00 0.00 77 N 9.39 4.25 0.00 2.77 2.92 0.00 0.00 6.92 7.51 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 78 Y 7.84 4.36 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 79 T 7.43 4.11 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 1.09 0.00 0.00 80 S 7.02 4.00 0.00 3.82 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 81 G 8.59 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 82 F 8.60 4.47 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 83 R 8.84 4.11 0.00 1.98 1.94 0.00 3.18 0.00 0.00 3.54 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 84 N 8.57 4.90 0.00 2.86 2.98 0.00 0.00 5.96 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 85 S 8.49 4.31 0.00 3.38 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 86 D 8.40 5.21 0.00 2.97 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.27 5.10 0.00 1.65 1.85 0.00 3.69 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 0.00 88 I 9.34 5.12 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 1.13 0.00 0.00 89 L 9.50 5.46 0.00 1.67 1.38 0.29 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.16 5.73 0.00 3.14 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 91 S 8.45 4.03 0.00 3.09 2.63 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 92 S 7.92 3.49 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 93 D 7.27 4.56 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 6.67 3.83 0.00 3.52 3.38 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 95 L 7.87 4.59 0.00 1.86 1.91 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.46 5.46 2.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.15 1.13 0.00 0.00 97 Y 9.69 5.34 0.00 2.80 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 98 K 9.22 5.32 0.00 1.37 1.65 0.00 0.77 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.98 1.16 7.81 99 T 9.00 4.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 100 T 8.45 4.94 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 101 D 7.16 4.67 0.00 2.80 2.76 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 0.00 102 H 8.26 3.47 0.00 3.21 3.36 0.00 5.80 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 0.00 103 Y 7.13 3.15 0.00 3.27 3.39 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 0.00 104 Q 7.78 4.15 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 105 T 7.98 4.64 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 106 F 8.50 5.32 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 0.00 107 T 9.00 4.80 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 1.14 0.00 0.00 108 K 8.51 3.52 0.00 0.79 1.40 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 1.06 7.81 109 I 8.33 4.35 1.83 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 1.31 0.88 0.75 0.00 0.00 110 R 7.53 4.18 0.00 1.87 1.82 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00