NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3233 8.2027 118.8269 56.3039 30.0268 176.2147 7 C 4.0637 8.0193 123.3148 60.1004 40.0484 173.1631 8 K 3.9980 8.2071 119.8566 59.2625 32.1744 178.7651 9 V 3.6651 7.8993 118.1483 66.6458 31.2906 177.9319 10 M 4.2115 8.3642 118.0098 58.1553 31.5228 178.0815 11 C 4.2772 8.0879 116.4110 60.3533 40.4747 175.4820 12 Y 3.8853 7.9648 116.4460 60.4448 37.5209 177.7112 13 A 4.1595 7.8023 121.3771 53.8962 18.8756 178.2434 14 Q 4.0829 7.3253 116.1003 56.6862 29.2040 176.6863 15 R 4.5240 8.3401 120.6056 56.4195 30.7544 176.4436 16 H 4.7643 7.9434 113.4041 55.0034 29.8958 174.2906 17 S 4.6482 8.3277 112.3800 57.7312 63.4625 174.4142 18 S 4.6034 8.3585 115.9036 57.5145 63.5028 171.3168 19 P 4.2816 0.0000 0.0000 65.7203 31.1143 178.4728 20 E 3.9847 8.0875 116.9863 59.4072 29.4360 179.2411 21 L 3.9267 7.9625 119.0721 57.4192 41.5591 179.3461 22 L 3.8819 8.0179 120.3360 58.3235 42.0589 179.3223 23 R 3.8682 8.3517 118.4488 59.0209 29.8510 179.1066 24 R 3.8319 8.1323 118.7595 59.4252 30.2287 177.6993 25 C 4.2019 8.2201 118.2678 59.7627 43.4297 175.6259 26 L 3.9461 7.7824 119.2259 57.9119 41.5931 178.8832 27 D 4.5057 8.2704 118.9306 57.5322 40.7449 178.6741 28 N 4.4361 8.4788 116.9291 56.2017 38.2598 176.7521 29 C 4.3728 7.9424 117.0440 59.5654 40.3163 175.0634 30 E 4.0590 7.8666 117.9077 56.9149 29.4420 176.6008 31 K 4.1909 7.7260 123.6217 56.3790 32.4045 175.9492 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 6 Q 8.20 4.32 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 7 C 8.02 4.06 0.00 3.11 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 8 K 8.21 4.00 0.00 1.91 1.98 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.53 7.81 9 V 7.90 3.67 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 1.14 0.00 0.00 0.94 0.00 0.00 10 M 8.36 4.21 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 11 C 8.09 4.28 0.00 3.13 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 Y 7.96 3.89 0.00 3.12 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 13 A 7.80 4.16 1.38 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 0.00 0.00 0.00 14 Q 7.33 4.08 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.42 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 15 R 8.34 4.52 0.00 1.79 1.93 0.00 3.20 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 16 H 7.94 4.76 0.00 3.22 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.33 4.65 0.00 3.96 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 18 S 8.36 4.60 0.00 3.89 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 19 P 0.00 4.28 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 20 E 8.09 3.98 0.00 2.03 1.97 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 2.39 2.45 0.00 21 L 7.96 3.93 0.00 1.39 1.46 0.75 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.02 3.88 0.00 1.73 1.75 0.31 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.35 3.87 0.00 1.90 1.94 0.00 3.26 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 24 R 8.13 3.83 0.00 1.95 2.04 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 25 C 8.22 4.20 0.00 3.12 3.17 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 0.00 26 L 7.78 3.95 0.00 1.62 1.72 0.78 0.99 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 27 D 8.27 4.51 0.00 2.95 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 28 N 8.48 4.44 0.00 2.84 2.86 0.00 0.00 7.02 7.53 0.00 0.00 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 C 7.94 4.37 0.00 3.19 3.17 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 0.00 30 E 7.87 4.06 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 31 K 7.73 4.19 0.00 1.74 1.69 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.55 7.81