NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2910 8.1749 117.3741 63.8154 69.1629 174.2576 2 R 4.2423 8.1965 131.0079 54.2483 29.4447 174.7508 3 G 4.3168 7.6458 111.6319 44.8806 0.0000 170.4214 4 S 4.6866 8.1641 116.0829 57.1168 65.4784 174.2824 5 D 4.6121 8.1319 123.6372 54.3688 42.5911 175.8278 6 I 4.6207 7.8117 117.9127 61.1809 38.1551 175.4051 7 S 4.5184 7.9327 110.1577 58.2768 62.6482 175.0909 8 K 4.2109 7.8644 120.2375 56.2348 30.8292 176.9215 9 T 4.3260 7.7672 118.4080 62.8615 72.0819 175.3917 10 C 4.7075 8.5862 127.8148 56.8942 41.6453 173.4698 11 C 5.1526 7.7585 116.6303 57.1864 43.9275 174.7033 12 F 4.3879 8.0062 119.6986 56.5553 39.8395 174.8722 13 Q 4.2292 7.2172 118.1246 55.7685 29.7651 171.4335 14 Y 5.1731 7.5930 121.3320 56.5731 39.2497 174.7443 15 S 4.7084 8.9318 119.8156 57.5094 64.7994 174.0024 16 H 4.5199 8.6526 125.4099 54.1965 28.9681 173.1655 17 K 3.7078 6.8071 120.9380 54.3535 34.7290 172.4717 18 P 3.5577 0.0000 0.0000 61.8489 31.2022 175.9634 19 L 3.9516 7.7522 125.7751 53.5617 42.8094 174.6374 20 P 4.3706 0.0000 0.0000 62.4580 31.3513 176.9137 21 W 3.9050 9.0440 125.0305 59.8373 29.2369 178.7789 22 T 4.0302 8.2529 107.4593 63.7579 68.4571 174.6740 23 W 4.7099 9.1876 130.8462 56.8161 30.9135 175.3074 24 V 4.4601 7.4881 116.5932 62.2762 32.2857 174.7042 25 R 4.5390 9.1552 123.4572 57.1132 32.1739 174.9008 26 S 4.9665 7.6711 110.9589 59.1575 66.7041 171.6785 27 Y 5.3136 8.0722 117.1954 58.1120 40.7139 173.4333 28 E 4.4937 8.7409 113.8649 55.9810 32.8416 175.8828 29 F 4.6090 8.9735 120.8604 56.5880 40.5132 175.6720 30 T 4.1173 8.1977 111.4698 61.7600 67.9913 174.2789 31 S 4.4822 8.5212 117.4230 57.5310 63.3390 174.7369 32 N 4.5512 8.5782 120.9972 55.0254 37.4428 175.1574 33 S 4.6704 7.2232 112.8213 58.9984 63.6832 173.2588 34 C 5.1112 7.8261 117.4099 55.8984 42.9844 175.7467 35 S 4.0592 8.8353 117.8683 60.4194 62.8709 173.2710 36 Q 4.7580 7.1883 118.0633 54.1052 31.1026 174.1689 37 R 4.4770 8.0263 112.5798 55.1199 32.2824 173.6319 38 A 4.1881 9.2841 123.1487 51.5325 23.5853 175.0347 39 V 3.6334 8.1986 120.0865 61.6307 34.1393 174.5603 40 I 4.8943 7.8809 122.3955 59.5799 41.4712 174.6171 41 F 5.7427 9.4755 124.9112 56.2235 42.1342 174.7091 42 T 5.2126 9.7451 119.0756 62.2122 72.3222 174.1724 43 T 4.5801 8.1253 115.0246 60.5072 71.3686 175.0230 44 K 3.8599 8.9409 122.3959 58.0786 32.2792 177.7137 45 R 3.9109 6.8778 115.7021 56.2911 30.4954 176.8873 46 G 3.9092 7.1594 104.6391 44.7610 0.0000 174.2108 47 K 4.1779 8.1387 122.5959 55.5135 32.2310 174.9100 48 K 4.7739 8.4357 128.6823 55.5148 33.0247 175.7484 49 V 4.5793 9.3372 128.1454 61.4402 34.5613 174.1281 50 C 5.2542 8.6697 122.7355 56.8966 40.9438 172.2240 51 T 4.5750 9.2449 110.9998 61.6371 70.8782 171.3078 52 H 4.7378 8.0380 121.1105 53.5381 31.6315 173.5595 53 P 4.0677 0.0000 0.0000 64.8801 31.9143 178.0385 54 R 3.8929 7.6061 117.9492 59.0171 30.3914 177.1862 55 K 3.8451 7.2712 117.4588 56.7574 32.6797 177.2697 56 K 3.8319 9.1453 125.4428 59.5658 32.0977 178.2546 57 W 4.4739 8.4192 116.2312 59.7897 27.5958 178.3425 58 V 2.1248 6.5327 118.5654 65.5070 30.9205 178.0913 59 Q 3.9724 7.8380 117.1019 58.7461 28.4412 178.7725 60 K 4.1051 8.1401 120.9150 59.5640 32.2835 178.4524 61 Y 4.2909 8.2319 116.9196 60.5775 37.5086 178.0861 62 I 2.9310 8.0774 120.7048 64.2117 37.3085 178.0934 63 S 4.2179 7.6040 112.0703 61.2509 62.3071 175.7372 64 L 4.0118 7.6624 120.6390 57.3876 42.6144 179.2175 65 L 4.4679 8.2814 118.6714 53.3868 38.7402 173.7442 66 K 3.9261 7.4547 126.1175 55.8304 33.8689 174.8217 67 T 4.3429 8.3420 121.3983 62.6613 69.7859 173.8494 68 P 4.6563 0.0000 0.0000 62.3471 30.3619 178.2998 69 K 4.1265 7.5271 123.1221 55.8805 31.0148 175.6877 70 Q 4.3765 7.6468 119.9616 54.3869 29.6698 175.0392 71 L 4.2619 8.3272 124.5007 54.8546 41.8767 176.8647 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 T 8.17 4.29 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 2 R 8.20 4.24 0.00 1.85 1.89 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 3 G 7.65 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.69 0.00 3.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.61 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 4.62 1.86 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 1.29 0.88 0.91 0.00 0.00 7 S 7.93 4.52 0.00 3.80 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 8 K 7.86 4.21 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.52 7.81 9 T 7.77 4.33 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 1.22 0.00 0.00 10 C 8.59 4.71 0.00 3.01 2.99 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 0.00 0.00 0.00 11 C 7.76 5.15 0.00 3.16 3.06 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 0.00 0.00 0.00 0.00 12 F 8.01 4.39 0.00 3.02 2.83 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 13 Q 7.22 4.23 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.89 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 14 Y 7.59 5.17 0.00 3.01 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 8.93 4.71 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 16 H 8.65 4.52 0.00 3.18 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 6.81 3.71 0.00 1.52 1.40 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.98 1.08 7.81 18 P 0.00 3.56 0.00 2.21 1.91 0.00 3.55 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 19 L 7.75 3.95 0.00 1.47 1.44 0.97 1.13 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 20 P 0.00 4.37 0.00 2.31 2.19 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.92 0.00 21 W 9.04 3.90 0.00 3.47 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 22 T 8.25 4.03 4.38 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 1.31 0.00 0.00 23 W 9.19 4.71 0.00 3.30 3.29 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 24 V 7.49 4.46 2.29 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 0.75 0.00 0.00 0.69 0.00 0.00 25 R 9.16 4.54 0.00 1.80 2.01 0.00 3.37 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 26 S 7.67 4.97 0.00 3.99 4.03 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 27 Y 8.07 5.31 0.00 3.22 3.38 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 28 E 8.74 4.49 0.00 1.88 1.87 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 2.00 2.08 0.00 29 F 8.97 4.61 0.00 2.88 3.05 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 30 T 8.20 4.12 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 1.26 0.00 0.00 31 S 8.52 4.48 0.00 3.88 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 4.55 0.00 2.87 2.94 0.00 0.00 6.04 7.64 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 33 S 7.22 4.67 0.00 4.02 3.99 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 0.00 0.00 0.00 34 C 7.83 5.11 0.00 3.18 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 35 S 8.84 4.06 0.00 4.08 4.09 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 36 Q 7.19 4.76 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.66 0.00 0.00 0.00 0.00 0.00 1.37 2.02 0.00 37 R 8.03 4.48 0.00 1.88 1.89 0.00 3.08 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 38 A 9.28 4.19 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 39 V 8.20 3.63 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 0.11 0.00 0.00 -0.06 0.00 0.00 40 I 7.88 4.89 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.94 0.00 0.00 41 F 9.48 5.74 0.00 3.08 2.93 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 42 T 9.75 5.21 4.31 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 1.23 0.00 0.00 43 T 8.13 4.58 4.10 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 1.35 0.00 0.00 44 K 8.94 3.86 0.00 1.50 1.58 0.00 2.04 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.38 7.81 45 R 6.88 3.91 0.00 0.82 1.58 0.00 3.12 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.00 46 G 7.16 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 0.00 0.00 0.00 47 K 8.14 4.18 0.00 1.80 1.71 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.41 7.81 48 K 8.44 4.77 0.00 1.82 1.72 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.63 7.81 49 V 9.34 4.58 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 1.00 0.00 0.00 1.06 0.00 0.00 50 C 8.67 5.25 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.24 4.57 4.03 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 1.66 0.00 0.00 52 H 8.04 4.74 0.00 2.54 2.91 0.00 5.86 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.07 0.00 2.18 2.01 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 54 R 7.61 3.89 0.00 1.72 2.02 0.00 3.07 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 55 K 7.27 3.85 0.00 1.76 1.60 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.85 1.61 7.81 56 K 9.15 3.83 0.00 1.87 1.92 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.56 7.81 57 W 8.42 4.47 0.00 3.58 3.37 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 0.00 58 V 6.53 2.12 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 -0.37 0.00 0.00 59 Q 7.84 3.97 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 60 K 8.14 4.11 0.00 2.24 2.24 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.56 7.81 61 Y 8.23 4.29 0.00 2.71 1.90 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 62 I 8.08 2.93 1.97 0.00 0.00 0.77 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 0.80 0.81 0.00 0.00 63 S 7.60 4.22 0.00 3.86 3.89 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 64 L 7.66 4.01 0.00 2.03 1.19 0.61 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.28 4.47 0.00 1.81 2.10 1.22 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.45 3.93 0.00 2.05 1.97 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.52 7.81 67 T 8.34 4.34 4.29 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 1.25 0.00 0.00 68 P 0.00 4.66 0.00 2.18 2.28 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 69 K 7.53 4.13 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 70 Q 7.65 4.38 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 71 L 8.33 4.26 0.00 1.66 1.54 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00