NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4172 8.3301 116.7956 57.9576 64.9209 173.2545 2 A 4.5211 7.4408 117.8721 49.3051 22.2356 173.6730 3 T 4.2622 9.5007 111.9393 60.9217 70.8924 172.8835 4 T 4.8555 8.5315 124.7475 62.3975 68.5167 174.5786 5 I 4.0293 8.7039 121.3042 60.5088 39.9014 176.2452 6 G 4.6140 8.2145 112.9870 43.4837 0.0000 171.8759 7 P 4.5282 0.0000 0.0000 63.5430 31.7932 175.4812 8 N 5.0612 7.4153 117.0519 53.5821 39.4219 175.6550 9 T 3.9897 8.1985 108.9637 64.0970 69.5766 175.6531 10 C 4.8161 7.9551 123.1030 54.8648 41.8602 174.5984 11 S 4.6009 8.3772 124.3761 57.2488 62.0659 175.0572 12 I 4.4251 7.0933 120.9805 59.8755 40.9429 177.3959 13 D 4.3966 9.5640 128.1602 55.0133 40.3301 173.3477 14 D 4.6383 8.2844 109.4329 54.0257 43.9896 174.8452 15 Y 4.7057 8.1745 116.3056 56.5085 37.6325 175.7128 16 K 4.2809 8.8584 124.4969 55.3237 34.1454 174.7101 17 P 5.0103 0.0000 0.0000 62.6664 32.6216 175.0585 18 Y 4.9713 9.3479 122.2865 56.2992 42.1736 174.2614 19 C 5.0411 9.5367 124.7617 55.9260 40.7360 171.0075 20 C 5.4344 9.2800 124.4935 55.1834 42.5403 172.9711 21 Q 4.7851 8.9015 121.9349 54.0772 31.6654 175.0034 22 S 4.6168 8.7154 120.4063 58.5623 63.6314 174.1927 23 M 4.1212 8.1251 123.5231 54.9797 32.3235 175.9231 24 S 4.1879 9.0704 115.5432 59.2233 63.8115 174.8372 25 G 4.1832 7.7726 110.4434 44.2654 0.0000 172.8120 26 S 4.6195 7.8619 114.2591 56.3519 66.5861 174.5650 27 A 4.4551 8.4352 128.6768 52.2741 18.5254 177.6842 28 S 4.8115 7.5515 117.0499 57.0693 67.7006 174.8861 29 L 4.1700 9.0148 125.6629 53.8473 42.8312 176.6765 30 G 4.0456 9.1880 113.5432 45.9114 0.0000 170.6860 31 C 5.3841 8.7553 127.7956 54.1322 43.5499 172.4510 32 V 4.8147 8.3924 125.6660 60.6033 33.8957 175.0806 33 V 3.8193 8.5238 127.5394 61.6329 32.0086 175.7711 34 G 3.7329 8.2139 113.4008 46.0312 0.0000 173.2634 35 V 4.4891 8.4669 118.4829 58.9336 34.9253 174.7025 36 I 3.9328 8.0597 121.5272 65.1103 36.1758 176.0545 37 G 4.0835 8.8624 115.0853 45.1654 0.0000 172.2962 38 S 4.2643 7.8634 116.3097 57.9061 63.8623 174.1459 39 Q 4.6930 8.6212 127.5173 55.6084 27.3914 174.2775 40 C 4.4252 9.4694 119.5319 55.8119 40.7710 173.4471 41 G 4.1947 8.5343 112.0387 45.0531 0.0000 171.0760 42 A 4.8548 7.4226 121.3925 49.7397 22.8008 176.2127 43 S 4.1066 8.2505 113.4738 58.9819 63.4015 174.5600 44 V 4.2547 8.3955 126.5809 62.0193 30.4952 175.2986 45 K 4.5535 8.9486 126.4947 54.8052 35.4019 174.6206 46 C 5.5230 8.6163 118.5451 55.9793 39.3062 173.8769 47 C 5.4007 9.3688 121.0258 55.2184 43.7229 174.9207 48 K 4.1899 9.0900 121.7617 56.6096 33.2905 178.9086 49 D 4.1494 8.0504 115.8727 54.4590 42.8240 175.6118 50 D 4.7661 8.5935 122.4770 52.7211 42.2330 173.7764 51 V 4.5860 8.3238 124.5416 62.2954 31.9031 176.3382 52 T 4.2918 8.2075 116.1162 64.7453 69.1018 175.1960 53 N 4.8096 8.5400 116.4481 53.7232 40.9536 174.0244 54 T 4.5018 9.7058 114.6694 61.8946 70.9671 171.8578 55 G 3.5996 7.8019 109.7694 45.3613 0.0000 173.5246 56 N 5.0753 7.2978 126.1605 53.6384 37.7211 178.6078 57 S 4.4470 8.9337 112.5009 60.0790 63.1972 173.2195 58 F 5.0214 8.4693 121.3067 56.9424 42.7589 173.1838 59 L 4.6916 8.5977 125.4524 53.6717 45.9259 174.4376 60 I 4.8129 8.3400 126.3702 59.8512 38.8856 174.8610 61 I 4.5343 8.3165 128.7378 58.4700 38.8364 176.0718 62 N 4.6619 8.5349 127.1675 53.8325 38.7510 174.7175 63 A 3.8876 7.9557 124.7524 53.2076 17.7747 180.0034 64 A 4.2709 7.4835 117.2180 51.7491 18.1877 177.7040 65 N 4.9920 7.7925 115.2050 53.9657 41.4699 173.4357 66 C 5.1905 7.8700 114.4991 55.2345 46.4740 173.8857 67 V 4.0840 7.8887 117.2670 60.8324 31.5798 176.0429 68 A 4.1892 7.5265 128.6859 52.3867 19.1901 176.4391 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 4.42 0.00 3.88 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 2 A 7.44 4.52 1.21 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 0.00 0.00 3 T 9.50 4.26 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 4 T 8.53 4.86 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 1.26 0.00 0.00 5 I 8.70 4.03 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.97 0.00 0.00 6 G 8.21 4.61 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 7 P 0.00 4.53 0.00 2.17 2.15 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 8 N 7.42 5.06 0.00 2.73 2.75 0.00 0.00 7.15 7.58 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 9 T 8.20 3.99 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 1.20 0.00 0.00 10 C 7.96 4.82 0.00 2.95 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 11 S 8.38 4.60 0.00 3.84 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 12 I 7.09 4.43 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 1.02 0.00 0.00 13 D 9.56 4.40 0.00 2.85 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 0.00 0.00 0.00 0.00 14 D 8.28 4.64 0.00 2.43 2.18 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 15 Y 8.17 4.71 0.00 3.00 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 16 K 8.86 4.28 0.00 1.72 1.32 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.51 7.81 17 P 0.00 5.01 0.00 1.98 1.94 0.00 3.33 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 2.03 2.17 0.00 18 Y 9.35 4.97 0.00 2.80 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 19 C 9.54 5.04 0.00 2.97 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 20 C 9.28 5.43 0.00 2.99 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 21 Q 8.90 4.79 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 22 S 8.72 4.62 0.00 3.76 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 23 M 8.13 4.12 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 24 S 9.07 4.19 0.00 3.98 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 25 G 7.77 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 0.00 0.00 0.00 0.00 26 S 7.86 4.62 0.00 3.83 3.74 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 27 A 8.44 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.55 4.81 0.00 3.75 3.72 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 29 L 9.01 4.17 0.00 1.56 1.54 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.19 4.05 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 0.00 0.00 0.00 31 C 8.76 5.38 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 32 V 8.39 4.81 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 0.96 0.00 0.00 33 V 8.52 3.82 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 0.86 0.00 0.00 0.74 0.00 0.00 34 G 8.21 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 35 V 8.47 4.49 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 0.79 0.00 0.00 0.92 0.00 0.00 36 I 8.06 3.93 1.86 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 1.33 0.32 0.90 0.00 0.00 37 G 8.86 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.86 4.26 0.00 3.81 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 39 Q 8.62 4.69 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.21 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 40 C 9.47 4.43 0.00 3.11 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 41 G 8.53 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.42 4.85 1.27 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 43 S 8.25 4.11 0.00 3.77 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 44 V 8.40 4.25 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 0.86 0.00 0.00 0.99 0.00 0.00 45 K 8.95 4.55 0.00 1.79 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.41 7.81 46 C 8.62 5.52 0.00 2.89 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.37 5.40 0.00 2.84 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 48 K 9.09 4.19 0.00 2.04 1.91 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 0.99 7.81 49 D 8.05 4.15 0.00 2.64 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 0.00 0.00 0.00 0.00 50 D 8.59 4.77 0.00 2.58 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 51 V 8.32 4.59 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 1.20 0.00 0.00 1.03 0.00 0.00 52 T 8.21 4.29 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 1.21 0.00 0.00 53 N 8.54 4.81 0.00 2.62 2.78 0.00 0.00 6.88 7.71 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 54 T 9.71 4.50 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 1.23 0.00 0.00 55 G 7.80 3.60 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 0.00 0.00 0.00 56 N 7.30 5.08 0.00 2.82 2.26 0.00 0.00 6.44 7.70 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 57 S 8.93 4.45 0.00 3.98 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 58 F 8.47 5.02 0.00 2.94 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 59 L 8.60 4.69 0.00 1.60 1.20 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.34 4.81 1.89 0.00 0.00 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 1.41 0.67 0.90 0.00 0.00 61 I 8.32 4.53 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.40 0.88 0.00 0.00 62 N 8.53 4.66 0.00 2.64 2.77 0.00 0.00 7.17 7.96 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 63 A 7.96 3.89 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 64 A 7.48 4.27 1.26 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 0.00 0.00 65 N 7.79 4.99 0.00 2.64 2.70 0.00 0.00 6.65 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 66 C 7.87 5.19 0.00 2.92 2.84 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 67 V 7.89 4.08 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 0.06 0.00 0.00 0.26 0.00 0.00 68 A 7.53 4.19 1.14 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 0.00 0.00