NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3532 8.3049 120.3478 55.2611 33.5005 174.9625 2 L 4.0439 7.5733 118.5166 52.9662 43.9382 175.2472 3 S 4.7338 9.5710 111.3454 64.3760 61.0220 172.2469 4 V 3.2067 7.0220 122.3296 65.9566 33.0183 176.3263 5 A 3.9803 7.7793 122.5433 55.1508 18.6230 178.7060 6 A 4.3154 7.7420 114.5017 53.1891 18.2087 177.8463 7 R 3.9689 7.8809 116.2126 56.2171 30.0621 172.6958 8 S 3.6107 8.7513 119.6384 61.7444 61.6764 168.3806 9 G 3.7886 8.3744 121.3085 45.0846 0.0000 171.1376 10 P 4.6385 0.0000 0.0000 61.3578 32.2465 175.6631 11 F 4.5082 8.3286 118.0298 57.3460 39.7903 176.3302 12 A 4.6837 8.8537 123.0592 49.2368 20.0917 172.6270 13 P 4.7363 0.0000 0.0000 62.9281 32.6598 175.9645 14 V 4.3858 8.6295 122.9693 61.3295 34.4148 174.2248 15 L 4.9935 8.6390 127.4802 53.4365 43.7800 175.4845 16 S 4.6234 8.3600 114.4470 56.8710 65.9975 173.5578 17 A 4.3457 8.4838 124.2236 54.4977 19.4822 178.6116 18 T 4.0577 7.7586 108.2867 64.7936 67.8127 175.5513 19 S 4.4684 7.6764 114.9120 57.9450 63.8727 173.7035 20 R 4.3930 8.1450 120.1933 55.0875 30.9562 177.0246 21 G 3.7790 8.4797 108.0266 46.6642 0.0000 172.8163 22 V 4.7423 9.2146 123.6190 61.0448 35.6078 174.1509 23 A 4.7566 8.0772 124.1235 51.0085 21.7105 177.0940 24 G 4.3632 8.5068 104.9840 46.1420 0.0000 173.6604 25 A 4.6855 7.7571 130.1939 51.2640 21.1332 176.0381 26 L 4.6685 7.1370 113.9180 53.1161 44.3708 176.0631 27 R 4.5073 7.8042 118.2696 55.2016 30.9381 172.1661 28 P 4.5712 0.0000 0.0000 61.8466 32.1647 176.3094 29 L 5.4841 8.1063 131.0874 56.9990 41.7259 175.4750 30 V 3.6174 7.1413 118.4783 66.1340 31.9329 177.2934 31 Q 4.7692 7.7377 117.5731 56.0151 28.3499 176.4460 32 A 4.5345 7.6452 117.5887 52.1072 21.2206 177.3831 33 A 4.3395 7.5445 116.3069 52.5166 18.2960 178.3407 34 V 3.8298 6.9130 116.0829 64.4843 32.2300 175.1248 35 P 4.3708 0.0000 0.0000 62.2030 29.5840 176.3328 36 A 4.2263 7.8538 126.4847 52.5412 19.4497 176.8252 37 T 3.2426 8.5153 111.4943 65.0044 64.6241 173.2482 38 S 4.7206 7.8080 118.2565 56.7959 64.1383 175.9087 39 E 4.3762 8.2177 127.7543 54.9252 28.7169 179.9929 40 S 5.1112 9.0247 116.6386 56.3458 62.3158 170.1349 41 P 4.7019 0.0000 0.0000 61.9259 32.4006 176.1719 42 V 4.3473 7.6608 115.9475 62.5644 31.9391 174.8700 43 L 3.5166 7.8794 116.2369 55.2078 37.9960 174.4127 44 D 4.6418 8.1692 119.4359 54.0238 43.2137 178.7768 45 L 3.8348 7.3094 120.6919 55.9633 38.0212 175.2717 46 K 4.4188 7.3343 124.1741 55.4961 35.3287 173.1762 47 R 4.6735 8.0373 119.0409 55.0176 29.6307 178.8191 48 S 4.7805 8.3618 108.8641 57.8230 64.2063 176.9478 49 V 3.9426 8.3424 124.9931 62.7726 32.7185 174.9209 50 L 4.1094 8.7373 125.7326 54.3981 39.7680 175.6723 51 C 3.9191 7.7949 111.2947 58.1551 29.9429 171.4051 52 R 4.6742 8.0931 116.2728 54.6579 33.0997 174.2973 53 E 4.6313 8.3367 117.1745 56.6571 28.3320 177.3133 54 S 4.6899 7.9204 112.9223 57.0779 66.6220 172.0616 55 L 4.6465 7.8891 129.2361 53.0529 43.8493 175.3984 56 R 4.4959 7.7209 127.7281 58.3305 34.3395 174.2774 57 G 3.7396 8.9223 115.3468 46.6643 0.0000 172.4250 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 M 8.30 4.35 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 7.57 4.04 0.00 1.75 1.62 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.57 4.73 0.00 3.90 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 4 V 7.02 3.21 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 0.81 0.00 0.00 0.93 0.00 0.00 5 A 7.78 3.98 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 6 A 7.74 4.32 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 7 R 7.88 3.97 0.00 1.87 2.13 0.00 3.35 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 8 S 8.75 3.61 0.00 3.95 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 9 G 8.37 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 10 P 0.00 4.64 0.00 2.01 1.97 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 11 F 8.33 4.51 0.00 2.99 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 12 A 8.85 4.68 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 13 P 0.00 4.74 0.00 1.97 2.00 0.00 3.69 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 2.05 2.08 0.00 14 V 8.63 4.39 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 0.99 0.00 0.00 0.95 0.00 0.00 15 L 8.64 4.99 0.00 1.56 1.56 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.36 4.62 0.00 3.76 3.91 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 0.00 0.00 0.00 17 A 8.48 4.35 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 18 T 7.76 4.06 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 1.25 0.00 0.00 19 S 7.68 4.47 0.00 3.90 3.81 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 0.00 0.00 0.00 0.00 20 R 8.14 4.39 0.00 1.80 1.85 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 21 G 8.48 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 22 V 9.21 4.74 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 0.98 0.00 0.00 0.98 0.00 0.00 23 A 8.08 4.76 1.03 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 0.00 0.00 24 G 8.51 4.36 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 0.00 25 A 7.76 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.14 4.67 0.00 1.58 1.46 0.87 1.35 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 27 R 7.80 4.51 0.00 1.88 1.87 0.00 3.23 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 28 P 0.00 4.57 0.00 2.07 2.06 0.00 3.82 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 2.03 2.06 0.00 29 L 8.11 5.48 0.00 1.81 1.69 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.14 3.62 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 0.94 0.00 0.00 31 Q 7.74 4.77 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 32 A 7.65 4.53 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 33 A 7.54 4.34 1.30 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 0.00 0.00 34 V 6.91 3.83 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 0.84 0.00 0.00 0.93 0.00 0.00 35 P 0.00 4.37 0.00 2.08 2.02 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 36 A 7.85 4.23 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 37 T 8.52 3.24 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 38 S 7.81 4.72 0.00 3.85 3.83 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 39 E 8.22 4.38 0.00 1.95 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 2.32 2.31 0.00 40 S 9.02 5.11 0.00 4.05 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 41 P 0.00 4.70 0.00 2.06 2.21 0.00 3.66 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 42 V 7.66 4.35 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 0.84 0.00 0.00 0.93 0.00 0.00 43 L 7.88 3.52 0.00 1.86 1.79 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.17 4.64 0.00 2.69 2.56 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 45 L 7.31 3.83 0.00 1.68 1.83 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.33 4.42 0.00 2.03 1.49 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.41 7.81 47 R 8.04 4.67 0.00 1.74 0.89 0.00 3.54 0.00 0.00 3.27 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 48 S 8.36 4.78 0.00 4.00 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 49 V 8.34 3.94 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 0.83 0.00 0.00 0.93 0.00 0.00 50 L 8.74 4.11 0.00 1.87 1.86 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.79 3.92 0.00 3.20 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 52 R 8.09 4.67 0.00 1.77 1.85 0.00 3.19 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 1.51 1.60 0.00 53 E 8.34 4.63 0.00 2.03 2.27 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 2.13 2.11 0.00 54 S 7.92 4.69 0.00 3.91 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 55 L 7.89 4.65 0.00 1.59 1.22 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.72 4.50 0.00 1.77 1.47 0.00 3.33 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 0.00 57 G 8.92 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 0.00 0.00 0.00