NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9378 8.3549 109.7366 45.1979 0.0000 173.6212 3 K 3.9026 8.5761 122.5580 55.5164 32.9120 170.7704 4 V 4.5525 8.6388 121.4804 61.4019 35.5834 173.5694 5 Y 5.1481 8.8044 123.2639 56.0666 41.5881 174.5636 6 K 4.5558 8.4005 121.5312 54.4513 35.8624 174.7646 7 K 4.8785 8.4401 123.9026 54.6528 34.7802 175.8379 8 V 4.5248 8.7571 117.9314 59.5792 34.8225 174.1817 9 E 5.0513 8.6959 124.3887 54.7571 30.9864 174.8334 10 L 4.9428 9.0242 126.0631 52.8363 46.5020 175.5687 11 V 4.6678 8.2509 119.2897 61.2822 33.7857 174.8938 12 G 4.4926 9.1775 116.0966 44.8327 0.0000 172.2303 13 T 5.3590 8.0437 112.3675 60.1021 72.2115 172.9038 14 S 4.6414 8.6611 114.9150 58.0425 65.8957 175.8105 15 E 4.6661 9.0274 124.1953 58.1152 30.1149 177.9694 16 E 4.0172 8.5839 119.9215 57.1910 30.1300 176.7321 17 G 3.2218 7.3150 104.0891 44.6132 0.0000 172.3465 18 L 3.7854 7.3429 118.2112 57.9822 41.5729 179.3820 19 E 3.8682 8.0575 117.6691 59.4616 29.3577 179.2286 20 A 4.0587 7.8830 119.9965 54.9813 18.5530 179.4175 21 A 3.9181 7.8336 119.2284 55.0762 18.4331 179.8463 22 I 3.4311 7.8136 118.4715 64.7376 37.1365 178.5786 23 Q 3.8846 8.4882 118.7794 58.7916 28.5699 178.8843 24 A 3.9097 8.1706 121.6138 55.2150 18.4265 179.5707 25 A 3.9148 7.8228 118.6828 55.3242 18.5193 179.7361 26 L 3.9356 7.8529 117.3141 57.6808 41.4053 179.5964 27 A 3.9692 7.9592 120.3571 55.0511 18.7240 179.3897 28 R 3.9250 7.9066 116.6223 59.2925 30.1669 178.3541 29 A 3.8971 8.3180 121.1334 55.3168 18.1509 179.5658 30 R 3.8910 7.7780 115.3994 58.8871 30.1333 178.5061 31 K 4.1481 7.7903 117.8033 58.7111 32.1124 177.5520 32 T 4.5117 7.6839 105.3115 60.5061 70.3876 173.4996 33 L 4.4339 7.5819 122.2080 52.8161 44.1730 176.2853 34 R 4.2921 8.1449 121.6016 56.1271 31.9431 175.1511 35 H 4.2105 8.5333 113.3072 56.7860 25.9232 175.3316 36 L 4.5597 8.1540 118.5178 55.5326 42.2235 176.6283 37 D 5.1802 9.2223 122.2839 55.4344 43.8772 175.7761 38 W 5.3192 7.8259 113.0816 55.5521 31.5640 173.1591 39 F 5.2607 8.2031 114.2569 55.3540 41.0794 173.7581 40 E 4.7274 9.2194 118.3965 54.6543 33.3271 175.1965 41 V 4.1864 8.7887 125.1396 63.0954 31.8568 175.3372 42 K 4.5440 9.4155 127.1218 57.7753 33.8943 176.6923 43 E 4.8408 7.9507 117.0380 54.7639 34.3890 174.5077 44 I 5.0333 8.4049 122.9132 59.8261 40.2881 174.8344 45 R 4.5752 9.1831 123.8309 56.5557 33.2421 173.5222 46 G 4.1412 7.9504 105.3180 47.1660 0.0000 172.2068 47 T 4.7627 7.7850 109.7412 60.0144 71.6712 173.6434 48 I 4.7758 9.2271 122.8676 58.0831 39.8325 175.1757 49 G 4.5220 7.5272 124.7153 45.6339 0.0000 171.6659 50 E 4.5430 8.3160 122.6726 55.7588 30.8205 175.0276 51 A 4.4892 8.0221 118.2712 52.4694 19.8237 177.4717 52 G 4.0520 7.7767 108.4169 44.9430 0.0000 177.7750 53 V 3.7720 8.3793 123.4071 62.4536 30.9637 174.0791 54 K 4.1940 7.8990 130.5282 56.8979 31.6356 175.6779 55 E 4.9661 8.5331 117.9243 54.6299 33.7908 174.5702 56 Y 4.6055 9.1929 121.4090 57.5838 39.9835 174.6103 57 Q 5.0067 9.4417 122.1610 54.2030 32.5592 174.4030 58 V 4.7568 8.8870 125.1443 61.0442 34.1215 174.3871 59 V 4.6900 8.6726 129.2740 61.9228 32.7950 174.7061 60 L 5.2306 9.0412 127.3529 54.4358 44.4751 174.5589 61 E 4.9574 9.1913 120.5483 55.1675 31.7772 175.0860 62 V 4.4989 8.9960 124.4472 61.0111 34.0649 174.3290 63 G 2.9508 8.2860 115.5558 43.8235 0.0000 172.2625 64 F 5.6696 8.2765 118.3592 54.9820 41.9365 173.6140 65 R 4.1453 8.9275 121.8224 56.2615 30.4830 175.9732 66 L 4.5594 8.3157 126.6066 54.1320 42.7914 176.8523 67 E 4.3370 8.7135 122.1968 55.2379 30.7443 176.8171 68 E 4.0686 8.8969 118.3366 59.4486 29.4197 177.3140 69 T 4.1675 7.7630 112.8218 61.0145 69.0981 174.0719 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 8.35 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 3 K 8.58 3.90 0.00 1.79 1.34 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.46 7.81 4 V 8.64 4.55 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.80 5.15 0.00 3.02 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 6 K 8.40 4.56 0.00 1.51 0.74 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.08 1.24 7.81 7 K 8.44 4.88 0.00 1.60 1.59 0.00 2.11 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.01 1.37 7.81 8 V 8.76 4.52 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 0.87 0.00 0.00 1.09 0.00 0.00 9 E 8.70 5.05 0.00 1.97 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 0.00 2.21 2.33 0.00 10 L 9.02 4.94 0.00 1.54 1.48 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.25 4.67 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 0.80 0.00 0.00 0.93 0.00 0.00 12 G 9.18 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 5.36 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 1.21 0.00 0.00 14 S 8.66 4.64 0.00 3.90 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 15 E 9.03 4.67 0.00 2.04 2.04 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 2.45 2.31 0.00 16 E 8.58 4.02 0.00 1.92 1.95 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 2.29 2.26 0.00 17 G 7.31 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 0.00 0.00 0.00 18 L 7.34 3.79 0.00 1.57 1.66 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.06 3.87 0.00 1.99 1.96 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 2.39 2.43 0.00 20 A 7.88 4.06 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 21 A 7.83 3.92 1.46 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 0.00 0.00 22 I 7.81 3.43 1.84 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 0.64 0.18 0.00 0.00 23 Q 8.49 3.88 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 24 A 8.17 3.91 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 25 A 7.82 3.91 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 26 L 7.85 3.94 0.00 1.77 1.66 0.75 0.74 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 27 A 7.96 3.97 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 28 R 7.91 3.92 0.00 1.93 2.02 0.00 3.12 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 1.59 1.64 0.00 29 A 8.32 3.90 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 30 R 7.78 3.89 0.00 1.95 1.93 0.00 3.25 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 K 7.79 4.15 0.00 1.92 1.81 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.57 7.81 32 T 7.68 4.51 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 33 L 7.58 4.43 0.00 1.30 0.67 0.42 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.14 4.29 0.00 1.61 1.36 0.00 3.28 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 35 H 8.53 4.21 0.00 3.65 3.50 0.00 5.63 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 36 L 8.15 4.56 0.00 1.69 1.68 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.22 5.18 0.00 3.14 3.07 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 38 W 7.83 5.32 0.00 3.21 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 39 F 8.20 5.26 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 40 E 9.22 4.73 0.00 1.99 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 2.44 2.49 0.00 41 V 8.79 4.19 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 0.84 0.00 0.00 1.15 0.00 0.00 42 K 9.42 4.54 0.00 1.75 1.85 0.00 1.90 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81 43 E 7.95 4.84 0.00 1.88 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 0.00 2.31 2.36 0.00 44 I 8.40 5.03 1.92 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 1.45 0.65 1.01 0.00 0.00 45 R 9.18 4.58 0.00 1.77 2.02 0.00 2.87 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 46 G 7.95 4.14 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 0.00 47 T 7.78 4.76 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 1.18 0.00 0.00 48 I 9.23 4.78 1.84 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 1.22 0.62 0.94 0.00 0.00 49 G 7.53 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.32 4.54 0.00 1.86 1.85 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 2.16 2.25 0.00 51 A 8.02 4.49 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 52 G 7.78 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 53 V 8.38 3.77 1.81 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 -0.05 0.00 0.00 0.65 0.00 0.00 54 K 7.90 4.19 0.00 1.83 1.69 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.39 7.81 55 E 8.53 4.97 0.00 1.91 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 0.00 2.23 2.24 0.00 56 Y 9.19 4.61 0.00 2.97 2.89 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 57 Q 9.44 5.01 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.89 4.76 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 1.00 0.00 0.00 0.96 0.00 0.00 59 V 8.67 4.69 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 0.94 0.00 0.00 0.94 0.00 0.00 60 L 9.04 5.23 0.00 1.95 1.74 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.19 4.96 0.00 1.94 1.86 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 2.28 2.28 0.00 62 V 9.00 4.50 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 1.00 0.00 0.00 0.90 0.00 0.00 63 G 8.29 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 0.00 0.00 0.00 64 F 8.28 5.67 0.00 3.47 3.07 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 65 R 8.93 4.15 0.00 2.12 1.93 0.00 3.08 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.99 0.00 66 L 8.32 4.56 0.00 1.62 1.57 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.71 4.34 0.00 2.00 1.92 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 2.35 2.42 0.00 68 E 8.90 4.07 0.00 2.06 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 2.28 2.32 0.00 69 T 7.76 4.17 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