NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4387 8.1927 115.2966 58.5500 65.1009 175.5629 5 R 3.7724 7.9126 118.6111 57.6653 30.6250 173.6445 6 V 3.6563 8.7195 119.8477 65.5158 31.4746 177.5779 7 T 3.8674 8.1229 116.1628 66.0713 68.2443 175.9074 8 F 4.0808 8.2870 122.3126 61.5680 39.5526 177.0651 9 E 3.7409 8.5870 118.2207 59.3733 29.2255 179.6615 10 R 3.9183 7.9734 118.1909 59.0776 30.1818 179.2205 11 V 3.5509 8.1159 118.6162 65.6026 31.5315 177.5170 12 E 3.7145 8.0731 119.6168 59.5363 29.3530 179.0178 13 Q 3.9627 7.8269 117.5231 59.0993 28.7269 178.5657 14 M 4.0570 8.1072 120.0621 58.4122 32.0790 178.9650 15 S 4.2250 8.4273 114.7895 61.5116 63.1108 176.6790 16 I 3.7755 7.7283 123.3343 64.1449 36.7301 178.3636 17 Q 4.3263 8.0057 120.3600 58.0546 28.4567 178.5181 18 I 3.6814 8.3138 121.4669 64.1825 37.0460 178.3232 19 K 3.9215 7.9678 120.1490 59.5289 32.1702 178.5832 20 E 3.9508 8.1263 118.8906 59.4396 29.3165 179.5061 21 V 3.7952 8.1750 118.5647 66.0758 31.7465 178.2623 22 G 3.6467 8.2969 105.5163 48.0277 0.0000 175.4064 23 D 4.4854 8.4991 121.5326 57.1397 40.8380 179.1050 24 R 4.0918 8.1603 118.7842 59.1415 29.9695 179.0156 25 V 3.6187 8.1865 118.4996 66.3864 31.4379 177.9383 26 N 4.3206 8.1670 115.5929 56.2607 38.3330 176.9160 27 Y 3.8257 8.0507 118.3160 61.2317 38.0076 179.0166 28 I 3.7921 7.9181 120.5871 64.1205 37.2223 178.1987 29 K 3.8620 8.3178 120.7960 59.8543 31.9418 179.0364 30 R 3.9530 8.1777 118.1428 59.2140 29.8304 179.1657 31 S 4.1582 8.1288 115.1477 61.6731 62.7698 176.7813 32 L 4.0440 7.9784 121.6258 57.5906 41.4057 179.5813 33 Q 3.9549 8.1120 118.2061 59.0111 28.6921 178.6117 34 S 4.0942 8.1920 114.1845 61.3120 62.3137 175.8793 35 L 3.9278 8.2753 123.3515 58.1691 41.7558 178.3082 36 D 4.3268 8.4889 118.6087 57.5550 41.1572 178.4809 37 S 4.1337 8.0023 113.8849 60.9246 63.2000 176.1428 38 Q 4.0067 8.0877 123.5830 59.2807 28.7716 178.3120 39 I 3.8503 8.2388 121.3405 64.0579 37.0786 178.4703 40 G 3.6449 8.1697 106.8289 48.3074 0.0000 175.3363 41 H 4.2212 8.0198 119.0233 58.4322 28.7464 177.6811 42 L 4.0062 8.0721 122.0596 58.2646 41.8983 179.0939 43 Q 4.0222 8.8070 118.4089 58.9259 28.5956 178.3353 44 D 4.3630 8.1660 119.9873 57.2301 40.8259 178.5617 45 L 3.9607 8.0115 120.9924 58.2457 42.0607 179.2451 46 S 4.1032 8.2476 113.9844 61.2975 62.8801 176.2648 47 A 3.9547 8.1351 124.4217 54.6684 18.1238 179.1270 48 L 3.8708 8.0288 118.8684 58.7303 42.1531 179.2737 49 T 3.8148 8.0077 115.4375 66.6623 68.4367 176.6695 50 V 3.5342 8.0830 120.3128 66.0788 31.3513 177.3529 51 D 4.3342 7.9854 116.3300 57.9405 41.2204 178.2175 52 T 4.0341 7.9438 116.0427 66.5233 68.1601 176.7903 53 L 4.0122 7.7558 120.3436 57.5738 41.6504 179.1585 54 K 4.0381 7.7545 117.4631 59.5227 32.0399 177.0627 55 T 4.0675 7.4506 119.4815 64.1524 68.5023 173.4225 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 4 S 8.19 4.44 0.00 3.89 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 5 R 7.91 3.77 0.00 2.01 1.94 0.00 3.25 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 6 V 8.72 3.66 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 0.88 0.00 0.00 0.95 0.00 0.00 7 T 8.12 3.87 4.45 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 0.00 0.00 0.00 1.23 0.00 0.00 8 F 8.29 4.08 0.00 3.17 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 3.74 0.00 2.34 1.99 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 2.46 2.74 0.00 10 R 7.97 3.92 0.00 1.99 1.94 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 11 V 8.12 3.55 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 0.89 0.00 0.00 0.93 0.00 0.00 12 E 8.07 3.71 0.00 1.36 1.65 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 2.17 2.21 0.00 13 Q 7.83 3.96 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 14 M 8.11 4.06 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 15 S 8.43 4.22 0.00 3.97 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 16 I 7.73 3.78 1.95 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 1.50 0.61 0.90 0.00 0.00 17 Q 8.01 4.33 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 18 I 8.31 3.68 2.01 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 1.40 0.69 0.91 0.00 0.00 19 K 7.97 3.92 0.00 1.95 1.96 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 20 E 8.13 3.95 0.00 2.19 1.99 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 2.33 2.55 0.00 21 V 8.17 3.80 2.26 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 1.10 0.00 0.00 0.98 0.00 0.00 22 G 8.30 3.65 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 0.00 0.00 0.00 23 D 8.50 4.49 0.00 2.82 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.16 4.09 0.00 2.04 2.01 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 25 V 8.19 3.62 2.25 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 1.13 0.00 0.00 0.99 0.00 0.00 26 N 8.17 4.32 0.00 2.86 2.72 0.00 0.00 7.05 6.75 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 27 Y 8.05 3.83 0.00 3.32 3.08 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 28 I 7.92 3.79 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.93 0.00 0.00 29 K 8.32 3.86 0.00 1.91 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 30 R 8.18 3.95 0.00 1.94 1.92 0.00 3.48 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 31 S 8.13 4.16 0.00 4.10 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 32 L 7.98 4.04 0.00 1.87 1.71 0.97 0.97 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 33 Q 8.11 3.95 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 34 S 8.19 4.09 0.00 4.10 3.98 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 35 L 8.28 3.93 0.00 1.88 1.86 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.49 4.33 0.00 2.88 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 37 S 8.00 4.13 0.00 4.08 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 38 Q 8.09 4.01 0.00 2.19 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 39 I 8.24 3.85 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.59 0.91 0.00 0.00 40 G 8.17 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.02 4.22 0.00 3.36 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.07 4.01 0.00 1.79 1.84 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.81 4.02 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 44 D 8.17 4.36 0.00 2.86 2.73 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 45 L 8.01 3.96 0.00 1.87 1.87 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.25 4.10 0.00 4.10 4.11 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 47 A 8.14 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.87 0.00 1.87 1.88 0.92 0.71 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 49 T 8.01 3.81 4.37 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 1.21 0.00 0.00 50 V 8.08 3.53 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 0.99 0.00 0.00 0.94 0.00 0.00 51 D 7.99 4.33 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 4.03 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 53 L 7.76 4.01 0.00 1.78 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.75 4.04 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.69 7.81 55 T 7.45 4.07 4.50 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 1.21 0.00 0.00