NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7276 8.3431 109.6903 46.0641 0.0000 173.3707 3 G 3.5591 8.3313 105.1322 43.9348 0.0000 170.3173 4 Y 5.0855 9.0320 116.7532 56.1779 43.4692 173.8669 5 V 4.0708 8.9787 121.9861 61.2159 33.4175 174.5649 6 N 5.1476 9.2947 127.7934 53.0937 39.4387 174.3869 7 I 5.0909 9.2414 126.1871 59.2777 40.0628 174.7996 8 K 4.8312 8.8900 128.4782 54.7764 34.8301 174.8173 9 T 4.5801 8.6013 118.4111 60.3064 71.2178 173.5892 10 F 5.3017 8.0162 122.2458 56.0363 40.9359 176.0802 11 T 4.8756 8.8932 119.5280 63.9478 69.0999 173.3389 12 H 4.8894 8.2724 118.5474 53.6547 31.8627 171.0635 13 P 4.5100 0.0000 0.0000 62.3566 31.5519 176.9627 14 A 4.6658 8.2284 127.5771 50.5045 18.8731 176.8160 15 G 4.0222 7.8457 108.7916 44.8671 0.0000 171.3717 16 E 4.1062 8.3916 122.0719 57.7814 29.5426 177.1625 17 G 4.0388 9.8737 114.8371 44.9381 0.0000 171.9864 18 K 4.9198 8.1172 118.2468 55.2037 37.0719 174.4190 19 E 4.9656 8.6821 118.1790 56.0684 33.7473 174.4548 20 V 4.3023 8.5039 119.8841 60.5320 33.2829 174.3037 21 K 4.3619 8.5350 127.5891 56.1157 32.3487 177.6097 22 G 4.2688 9.1660 113.2232 46.0856 0.0000 172.1583 23 M 5.0023 9.1501 118.2676 53.4590 35.7204 173.6587 24 E 4.7334 8.4713 117.6103 54.3614 32.6498 176.0013 25 V 4.7661 8.9075 124.2718 60.1510 35.4900 174.4431 26 S 5.1876 9.2758 120.8506 57.1405 64.7064 173.0710 27 V 4.5647 8.2498 125.6542 60.0153 33.6732 173.1675 28 P 4.1288 0.0000 0.0000 63.3026 31.9257 176.4651 29 F 3.9168 9.1540 127.1985 61.7573 39.2963 177.1888 30 E 3.9409 8.3927 117.2615 59.7999 29.3817 179.4669 31 I 3.7224 7.6066 119.0378 64.3760 36.9586 177.8014 32 Y 3.7966 7.4095 119.8330 60.5495 38.7225 177.6613 33 S 4.0436 8.0450 114.2660 61.2251 63.1217 175.8764 34 N 4.5264 7.8213 119.6092 54.8854 38.4449 175.3611 35 E 4.5357 7.3953 117.2605 55.4947 33.1870 173.8952 36 H 5.0088 8.2176 120.1764 54.4151 31.1179 172.6486 37 R 4.3197 9.3569 122.2742 54.6337 31.4329 175.3860 38 I 4.2954 8.2656 126.4852 59.8331 37.6992 175.0294 39 A 4.0527 8.4110 128.5550 53.4147 19.2267 176.2515 40 D 5.0611 8.0391 111.3999 51.8193 42.4972 174.9924 41 A 4.7499 8.5132 118.9124 52.8043 19.6507 177.9416 42 H 5.1935 8.9170 118.1755 55.1190 26.7152 174.0848 43 Y 4.9498 7.2930 114.7293 56.0034 41.0784 175.4531 44 Q 4.7473 9.0027 118.8890 54.8248 32.4687 174.2850 45 T 5.2010 8.1409 115.7950 62.0409 72.4589 173.4489 46 F 4.7521 9.1214 124.0075 55.2223 42.7149 172.7585 47 P 5.1440 0.0000 0.0000 62.7288 32.3460 175.8906 48 S 4.5560 8.4201 113.8267 57.9001 65.9192 176.8787 49 E 4.0208 9.2466 121.5170 58.6992 29.5129 177.5157 50 K 4.5712 7.6312 115.2452 53.8427 34.9975 175.4994 51 A 3.4781 7.5351 123.6479 51.8128 18.2943 177.7487 52 A 3.9116 8.2872 126.9425 54.3393 18.8977 177.1973 53 Y 4.9346 7.1877 112.0631 56.5625 40.0578 176.2379 54 T 3.9296 8.6551 118.4902 67.1418 68.8008 175.1992 55 T 4.2700 7.8940 120.0525 63.0874 69.4632 173.8716 56 V 4.7932 8.2004 126.8900 60.4966 33.7203 175.3826 57 V 4.0025 8.4735 128.8491 64.0420 31.3209 175.9182 58 T 4.2478 9.2610 118.8651 63.8365 69.6184 173.8936 59 D 4.6621 7.5977 119.0461 50.6201 42.5627 175.2249 60 A 4.0939 8.8489 119.5045 55.5754 18.3299 179.5844 61 A 3.9729 8.0733 118.7981 55.3021 18.5387 179.1312 62 D 4.3404 8.9687 117.0808 57.2603 41.2948 178.3776 63 W 4.6132 8.3777 128.9615 60.6589 30.6092 178.2089 64 R 3.6486 8.0585 118.0884 59.2869 29.1833 179.3174 65 T 3.8009 7.5143 114.4296 66.5575 68.9649 176.8014 66 K 4.0751 7.9960 120.3839 59.4577 31.9769 178.8891 67 N 3.7176 7.9115 117.4203 56.4745 38.6625 176.7471 68 A 4.0763 7.6042 121.7593 54.7519 18.2700 178.9650 69 A 4.1066 7.4157 117.1689 54.2231 18.5435 178.9653 70 M 3.9082 7.1004 116.4190 56.5670 32.0427 176.7896 71 F 4.8650 7.3568 114.3354 56.9780 40.7775 174.9209 72 T 4.3338 7.7437 118.4276 61.6219 68.2498 172.7553 73 P 4.8011 0.0000 0.0000 62.7935 32.1790 176.2360 74 T 4.7244 9.0741 113.7223 58.8423 72.4154 171.4858 75 P 4.7051 0.0000 0.0000 62.0486 31.9764 176.5393 76 V 4.1923 8.5021 122.2715 62.6795 31.3168 175.4467 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 2 G 8.34 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 0.00 0.00 0.00 3 G 8.33 3.56 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 0.00 0.00 0.00 0.00 4 Y 9.03 5.09 0.00 2.82 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 5 V 8.98 4.07 1.50 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 0.19 0.00 0.00 0.73 0.00 0.00 6 N 9.29 5.15 0.00 2.83 2.57 0.00 0.00 6.57 7.02 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 7 I 9.24 5.09 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 1.06 0.92 1.01 0.00 0.00 8 K 8.89 4.83 0.00 1.73 1.65 0.00 1.67 0.00 0.00 2.08 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.08 1.16 7.81 9 T 8.60 4.58 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 1.14 0.00 0.00 10 F 8.02 5.30 0.00 3.11 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 11 T 8.89 4.88 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 1.25 0.00 0.00 12 H 8.27 4.89 0.00 3.18 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.51 0.00 1.99 2.06 0.00 3.68 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 2.06 2.12 0.00 14 A 8.23 4.67 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 15 G 7.85 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 16 E 8.39 4.11 0.00 1.95 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 2.30 2.32 0.00 17 G 9.87 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 0.00 0.00 0.00 18 K 8.12 4.92 0.00 1.86 1.66 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.37 7.81 19 E 8.68 4.97 0.00 1.99 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 2.31 2.21 0.00 20 V 8.50 4.30 1.61 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 0.92 0.00 0.00 0.92 0.00 0.00 21 K 8.53 4.36 0.00 1.64 1.71 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.42 7.81 22 G 9.17 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 0.00 0.00 0.00 0.00 23 M 9.15 5.00 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 24 E 8.47 4.73 0.00 1.40 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 1.56 1.96 0.00 25 V 8.91 4.77 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 1.01 0.00 0.00 1.07 0.00 0.00 26 S 9.28 5.19 0.00 3.73 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 27 V 8.25 4.56 1.56 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 0.23 0.00 0.00 0.05 0.00 0.00 28 P 0.00 4.13 0.00 2.01 1.77 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 29 F 9.15 3.92 0.00 3.05 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 30 E 8.39 3.94 0.00 2.05 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 0.00 2.54 2.52 0.00 31 I 7.61 3.72 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.12 0.94 0.00 0.00 32 Y 7.41 3.80 0.00 2.48 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 33 S 8.05 4.04 0.00 3.79 2.92 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 34 N 7.82 4.53 0.00 2.77 2.91 0.00 0.00 6.76 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.40 4.54 0.00 1.93 1.83 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 2.15 2.15 0.00 36 H 8.22 5.01 0.00 3.16 2.96 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.36 4.32 0.00 1.59 1.93 0.00 3.04 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 38 I 8.27 4.30 1.90 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 1.22 0.84 0.97 0.00 0.00 39 A 8.41 4.05 0.35 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 40 D 8.04 5.06 0.00 2.92 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 41 A 8.51 4.75 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 42 H 8.92 5.19 0.00 3.37 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.29 4.95 0.00 2.88 2.86 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 44 Q 9.00 4.75 0.00 2.20 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 45 T 8.14 5.20 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 1.14 0.00 0.00 46 F 9.12 4.75 0.00 2.92 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 47 P 0.00 5.14 0.00 1.95 1.99 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 48 S 8.42 4.56 0.00 3.85 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 49 E 9.25 4.02 0.00 2.00 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 0.00 2.31 2.34 0.00 50 K 7.63 4.57 0.00 1.63 1.58 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 51 A 7.54 3.48 0.59 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 0.00 0.00 52 A 8.29 3.91 0.84 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 53 Y 7.19 4.93 0.00 2.99 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 54 T 8.66 3.93 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 1.22 0.00 0.00 55 T 7.89 4.27 4.47 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 1.26 0.00 0.00 56 V 8.20 4.79 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 0.87 0.00 0.00 0.93 0.00 0.00 57 V 8.47 4.00 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 0.99 0.00 0.00 1.13 0.00 0.00 58 T 9.26 4.25 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 1.31 0.00 0.00 59 D 7.60 4.66 0.00 2.91 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 60 A 8.85 4.09 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 61 A 8.07 3.97 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 62 D 8.97 4.34 0.00 2.93 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 63 W 8.38 4.61 0.00 3.45 3.27 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 0.00 64 R 8.06 3.65 0.00 2.01 1.86 0.00 3.12 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 65 T 7.51 3.80 4.38 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 1.19 0.00 0.00 66 K 8.00 4.08 0.00 1.99 1.95 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.43 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.78 7.81 67 N 7.91 3.72 0.00 1.44 1.99 0.00 0.00 7.14 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 68 A 7.60 4.08 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 69 A 7.42 4.11 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 70 M 7.10 3.91 0.00 1.06 0.95 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 71 F 7.36 4.87 0.00 3.01 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 T 7.74 4.33 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 1.21 0.00 0.00 73 P 0.00 4.80 0.00 1.94 1.99 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 74 T 9.07 4.72 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 1.23 0.00 0.00 75 P 0.00 4.71 0.00 1.95 2.06 0.00 3.74 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 76 V 8.50 4.19 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 1.01 0.00 0.00 0.93 0.00 0.00