NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.3008 8.1293 121.6855 57.3818 40.6188 174.8745 2 I 3.9456 7.7438 113.5887 58.8494 36.5594 172.9267 3 T 4.2878 7.7245 115.4572 61.3177 71.8231 172.6115 4 C 4.7605 8.3395 117.2237 53.7874 45.3800 173.1546 5 L 4.2890 8.3603 118.7345 54.7151 41.8074 176.8790 6 F 5.0189 8.6299 126.7582 55.8783 41.5955 175.4260 7 R 3.5217 6.0844 118.0488 57.9207 29.0383 176.8171 8 G 3.9304 9.4004 110.5882 45.2264 0.0000 172.3100 9 A 4.8620 7.7311 119.1291 49.7590 23.0931 176.0985 10 R 4.8022 8.4652 117.8379 55.6727 32.1286 175.4001 11 C 4.8162 8.6350 114.8610 54.5552 42.2875 173.5888 12 R 4.3089 7.9864 119.3512 54.3190 31.4709 177.6872 13 V 3.2943 7.7422 113.2254 64.8270 31.3511 177.8037 14 Y 4.6992 6.8129 114.3824 57.9782 37.8762 175.8259 15 S 4.4504 7.4243 115.9940 57.8509 64.9175 175.7419 16 G 4.3294 7.8755 117.2652 44.3545 0.0000 177.1383 17 R 3.9515 8.7633 123.4595 56.1016 30.1297 175.8177 18 S 4.4408 8.3019 119.4614 58.1278 63.7713 174.0367 19 C 4.7319 8.3861 119.2015 56.9699 35.4881 174.1313 20 C 4.7211 8.8527 118.2035 56.5303 41.5283 173.0641 21 F 4.5856 8.8512 122.6949 59.5433 39.4236 175.3855 22 G 3.5988 8.6794 112.9592 45.7551 0.0000 171.7929 23 Y 4.6222 7.8361 115.8618 56.1071 41.8818 174.2147 24 Y 4.9258 7.6115 121.5100 55.2996 41.9956 173.0494 25 C 5.4219 8.9094 118.8871 55.2558 42.7515 173.4149 26 R 4.6778 8.6536 125.3065 54.5340 32.8836 176.6124 27 R 4.4055 8.1998 120.2212 55.7516 31.6672 176.7099 28 D 4.5729 8.2553 117.5575 56.4060 41.5472 176.8302 29 F 4.7212 6.7094 111.4659 54.6014 40.1966 170.6272 30 P 4.2445 0.0000 0.0000 67.2204 29.9562 175.3829 31 G 4.2290 8.6112 114.7170 45.9413 0.0000 171.6994 32 S 4.5775 7.5269 112.9911 56.0849 64.8169 173.2451 33 I 4.2299 8.0934 121.5942 60.9766 39.7583 174.8801 34 F 4.9639 8.0639 116.8887 55.7285 41.5523 175.9409 35 G 3.9589 8.6757 109.3961 45.6693 0.0000 171.8666 36 T 5.0712 8.6864 118.8889 62.2717 73.8121 172.2823 37 C 5.1459 8.4628 123.7912 56.4895 39.2390 172.9955 38 S 5.1193 9.0410 121.1644 56.2603 67.0884 173.5692 39 R 2.7053 8.2953 118.3853 55.5580 29.9726 176.5934 40 R 3.6913 7.4472 121.0944 56.1351 31.1082 175.2817 41 N 4.9476 8.6832 118.4842 51.7670 41.2465 174.2484 42 F 4.5171 7.7401 118.2485 57.0954 38.1587 174.3792 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 Y 8.13 4.30 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 3.95 1.90 0.00 0.00 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 1.51 0.86 0.94 0.00 0.00 3 T 7.72 4.29 4.21 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 1.17 0.00 0.00 4 C 8.34 4.76 0.00 3.04 3.18 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 5 L 8.36 4.29 0.00 1.66 1.68 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.63 5.02 0.00 2.81 2.88 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 7 R 6.08 3.52 0.00 1.67 1.50 0.00 2.79 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 8 G 9.40 3.93 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 0.00 0.00 0.00 9 A 7.73 4.86 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 10 R 8.47 4.80 0.00 1.75 1.94 0.00 3.49 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 11 C 8.64 4.82 0.00 2.91 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 12 R 7.99 4.31 0.00 0.98 0.66 0.00 2.21 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.00 13 V 7.74 3.29 1.45 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 0.36 0.00 0.00 -0.70 0.00 0.00 14 Y 6.81 4.70 0.00 2.97 2.88 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 15 S 7.42 4.45 0.00 3.90 3.86 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 16 G 7.88 4.33 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 0.00 17 R 8.76 3.95 0.00 1.81 1.89 0.00 3.27 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 18 S 8.30 4.44 0.00 3.96 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 19 C 8.39 4.73 0.00 3.04 3.18 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 20 C 8.85 4.72 0.00 3.03 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 21 F 8.85 4.59 0.00 2.99 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 22 G 8.68 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 23 Y 7.84 4.62 0.00 2.87 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 24 Y 7.61 4.93 0.00 3.00 3.10 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 25 C 8.91 5.42 0.00 3.00 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 26 R 8.65 4.68 0.00 1.81 1.76 0.00 3.14 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.79 0.00 27 R 8.20 4.41 0.00 1.70 1.73 0.00 3.08 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 28 D 8.26 4.57 0.00 2.06 2.68 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 0.00 0.00 0.00 0.00 29 F 6.71 4.72 0.00 3.22 3.10 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 30 P 0.00 4.24 0.00 2.26 2.22 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 31 G 8.61 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 0.00 0.00 0.00 0.00 32 S 7.53 4.58 0.00 2.91 3.26 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 33 I 8.09 4.23 1.99 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.33 1.07 0.00 0.00 34 F 8.06 4.96 0.00 2.75 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 35 G 8.68 3.96 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 0.00 0.00 0.00 36 T 8.69 5.07 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 1.27 0.00 0.00 37 C 8.46 5.15 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 9.04 5.12 0.00 4.00 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 39 R 8.30 2.71 0.00 1.16 1.46 0.00 3.02 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 40 R 7.45 3.69 0.00 1.46 1.81 0.00 2.93 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 0.00 41 N 8.68 4.95 0.00 2.66 2.66 0.00 0.00 6.56 6.83 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 42 F 7.74 4.52 0.00 3.12 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