NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.4879 8.4249 118.2179 51.0197 38.4721 174.8930 11 V 2.9600 7.8255 119.7608 60.5541 30.1854 170.7024 12 Q 4.3232 9.1639 125.3928 55.0066 30.6690 176.7924 13 R 4.1590 8.2435 118.6461 55.2695 32.2312 176.0092 14 P 4.2089 0.0000 0.0000 66.2987 31.1876 179.0892 15 L 4.0076 7.8334 114.9700 57.3910 41.8411 178.8261 16 D 4.6054 8.0650 118.5899 57.0828 41.1256 178.3740 17 A 4.2035 8.3479 121.4893 54.9082 18.2021 179.3855 18 L 3.8873 7.8786 119.0250 57.9551 42.0149 179.2786 19 G 3.9488 8.2277 105.8837 47.8308 0.0000 175.0397 20 N 4.6167 8.0554 117.0556 55.1255 38.8802 176.3993 21 S 4.5760 8.0808 116.1910 57.2590 63.3863 173.8731 22 L 4.4120 7.3039 122.9814 56.3527 41.7855 176.9064 23 N 4.3894 9.4154 119.2765 53.9156 36.8509 174.0450 24 S 5.0400 7.8063 114.6781 55.9092 66.1417 171.7169 25 P 5.0209 0.0000 0.0000 63.0484 32.4403 175.5888 26 V 4.7945 9.2260 114.9997 59.9139 37.0339 174.1157 27 I 4.9997 8.6331 121.3802 59.8553 40.4397 174.9016 28 I 4.8124 9.3483 129.0009 59.3766 39.6343 174.4274 29 K 4.7232 8.1875 128.7324 54.6543 33.9062 175.1949 30 L 5.1454 8.6570 127.1362 52.4751 44.9243 176.2283 31 K 3.9927 8.6215 121.5681 58.1987 32.3283 177.8560 32 G 3.8461 8.6682 111.1398 45.2685 0.0000 174.1315 33 D 4.7238 7.7998 117.9870 54.1634 40.1654 174.9930 34 R 4.1466 7.6233 118.1063 56.2569 31.6301 175.1411 35 E 5.2147 8.1549 122.2425 54.5919 33.3925 174.3406 36 F 5.2742 9.5765 123.9537 55.7876 43.5566 174.0728 37 R 5.0797 8.7989 120.1214 54.3396 34.3111 175.2186 38 G 4.0980 8.0766 107.8595 46.5830 0.0000 171.2172 39 V 4.7535 7.7922 120.2242 60.9811 33.1691 175.1829 40 L 4.3102 8.7414 131.0870 55.8478 42.2431 177.1062 41 K 4.4829 9.2412 126.9289 58.2236 33.8280 176.5693 42 S 4.7304 7.8149 112.2374 58.1219 66.1335 173.5978 43 F 5.7449 8.0539 114.3977 57.3534 40.6833 171.9654 44 D 4.7736 8.4673 117.1405 51.6036 42.2877 175.8797 45 L 4.0281 8.4589 117.7419 58.0358 41.8155 178.0120 46 H 4.5361 8.4164 114.4907 56.0197 28.9424 176.1379 47 M 3.3879 8.3790 118.5854 55.5016 31.5158 175.9502 48 N 4.7798 8.2065 114.6832 53.8631 39.8615 173.8759 49 L 5.3748 8.9841 121.8814 52.9341 46.5676 175.5271 50 V 4.8650 8.6546 120.4461 61.2295 34.4684 174.3443 51 L 5.3046 8.8198 127.1609 53.1461 45.2495 175.4260 52 N 5.0992 9.2080 119.3111 51.3714 41.7071 174.2965 53 D 4.5337 8.4701 117.3827 55.2536 38.8787 174.1013 54 A 4.9064 8.3250 120.5344 51.5892 20.6756 177.7554 55 E 5.0837 8.9680 117.9557 54.5919 33.6055 174.0227 56 E 4.2437 9.3158 123.4960 54.9849 31.1468 174.8062 57 L 5.3476 8.6042 125.5037 53.1414 45.8177 175.4527 58 E 4.5727 9.3626 119.4163 56.7435 33.9573 175.8715 59 D 4.3127 9.7144 122.8751 55.6658 38.2788 174.2719 60 G 3.9334 8.0453 102.3457 46.0222 0.0000 172.0772 61 E 4.4480 9.0178 121.1197 53.3702 31.7978 175.1624 62 V 4.0521 8.4542 126.1051 63.5699 31.0706 175.1650 63 T 4.4163 8.2535 118.1284 62.2800 70.0493 175.0045 64 R 4.5503 7.5462 121.4046 55.4251 33.7040 173.2188 65 R 4.8895 8.6812 125.0768 54.7807 31.3463 175.7336 66 L 4.5522 9.2068 123.5856 52.5067 44.1347 178.2816 67 G 3.9741 8.3503 107.6278 46.5747 0.0000 175.2645 68 T 4.9328 8.5155 122.1013 62.5376 69.2474 173.4720 69 V 4.5308 8.6688 118.9387 59.4051 36.2849 174.1638 70 L 4.9976 8.4853 125.4788 53.6737 43.5226 175.2949 71 I 4.3054 8.5721 127.9432 59.2129 39.4189 175.3587 72 R 4.3256 8.5050 127.8413 55.7931 30.9120 177.2961 73 G 4.0333 9.9717 114.8508 48.0736 0.0000 175.1396 74 D 4.4400 8.0287 117.8795 55.4040 39.6030 176.7326 75 N 4.5733 7.8822 117.0266 54.1831 39.1283 174.9825 76 I 4.1419 7.4740 120.2717 61.2077 37.9073 175.3697 77 V 4.2275 8.4809 126.0155 64.5291 32.1972 175.2100 78 Y 5.0028 7.0459 116.2347 55.8529 41.5963 172.9155 79 I 4.9731 8.5218 120.5955 59.7527 39.9079 174.9040 80 S 4.8629 9.3104 122.2236 56.6952 64.9615 174.7724 81 R 4.3156 8.9007 123.3530 55.4970 31.2912 178.8580 82 G 3.7805 7.9294 106.9422 46.0115 0.0000 172.9726 83 K 4.6870 8.2344 119.5373 54.1523 36.3357 176.1894 84 L 4.1644 8.5230 119.6073 55.3503 41.4804 177.3382 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 10 N 8.42 4.49 0.00 2.85 2.01 0.00 0.00 6.10 6.79 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 11 V 7.83 2.96 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 0.62 0.00 0.00 0.93 0.00 0.00 12 Q 9.16 4.32 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 13 R 8.24 4.16 0.00 1.83 1.85 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 14 P 0.00 4.21 0.00 2.13 2.11 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 15 L 7.83 4.01 0.00 1.66 1.85 0.89 1.04 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 16 D 8.06 4.61 0.00 2.86 2.74 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 17 A 8.35 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.88 3.89 0.00 1.62 0.84 -0.16 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.23 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 4.62 0.00 2.87 2.90 0.00 0.00 6.98 7.09 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 21 S 8.08 4.58 0.00 3.97 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 22 L 7.30 4.41 0.00 1.73 1.67 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.42 4.39 0.00 2.86 2.98 0.00 0.00 6.89 7.44 0.00 0.00 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 S 7.81 5.04 0.00 3.94 3.75 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 0.00 0.00 0.00 0.00 25 P 0.00 5.02 0.00 2.09 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 26 V 9.23 4.79 2.19 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 0.91 0.00 0.00 0.99 0.00 0.00 27 I 8.63 5.00 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 1.04 0.00 0.00 28 I 9.35 4.81 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.04 0.86 0.00 0.00 29 K 8.19 4.72 0.00 1.00 0.74 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.99 1.15 7.81 30 L 8.66 5.15 0.00 1.66 1.62 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.62 3.99 0.00 1.71 1.75 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.56 7.81 32 G 8.67 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.80 4.72 0.00 2.82 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 34 R 7.62 4.15 0.00 1.94 1.90 0.00 3.26 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 35 E 8.15 5.21 0.00 2.08 1.62 0.00 0.00 0.00 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 2.42 0.00 36 F 9.58 5.27 0.00 2.96 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 37 R 8.80 5.08 0.00 1.76 1.80 0.00 3.22 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 38 G 8.08 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 0.00 0.00 0.00 0.00 39 V 7.79 4.75 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 0.93 0.00 0.00 0.95 0.00 0.00 40 L 8.74 4.31 0.00 1.86 1.76 1.04 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.24 4.48 0.00 1.77 1.85 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.70 7.81 42 S 7.81 4.73 0.00 3.74 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 43 F 8.05 5.74 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.47 4.77 0.00 2.80 2.74 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 45 L 8.46 4.03 0.00 1.56 1.76 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.42 4.54 0.00 3.39 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.38 3.39 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 48 N 8.21 4.78 0.00 3.01 2.75 0.00 0.00 6.81 6.74 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 49 L 8.98 5.37 0.00 1.52 1.53 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.65 4.87 2.09 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 0.98 0.00 0.00 0.93 0.00 0.00 51 L 8.82 5.30 0.00 1.63 1.54 0.96 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.21 5.10 0.00 2.60 2.72 0.00 0.00 7.31 7.89 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 53 D 8.47 4.53 0.00 2.76 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 54 A 8.33 4.91 1.35 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 0.00 0.00 55 E 8.97 5.08 0.00 2.07 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 2.19 2.23 0.00 56 E 9.32 4.24 0.00 1.60 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.47 0.00 57 L 8.60 5.35 0.00 1.49 1.44 0.88 0.79 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 58 E 9.36 4.57 0.00 1.87 1.73 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 2.16 2.18 0.00 59 D 9.71 4.31 0.00 2.70 2.74 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 60 G 8.05 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 61 E 9.02 4.45 0.00 1.94 1.82 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 2.16 2.22 0.00 62 V 8.45 4.05 2.06 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 0.85 0.00 0.00 0.94 0.00 0.00 63 T 8.25 4.42 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 64 R 7.55 4.55 0.00 1.84 1.71 0.00 3.15 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 65 R 8.68 4.89 0.00 1.72 1.84 0.00 3.21 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 66 L 9.21 4.55 0.00 1.55 1.73 1.15 0.88 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 67 G 8.35 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.52 4.93 4.25 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 1.28 0.00 0.00 69 V 8.67 4.53 2.03 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 0.82 0.00 0.00 0.89 0.00 0.00 70 L 8.49 5.00 0.00 1.60 1.53 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.57 4.31 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.26 0.71 0.00 0.00 72 R 8.51 4.33 0.00 1.81 1.76 0.00 3.17 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.61 0.00 73 G 9.97 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 0.00 0.00 0.00 74 D 8.03 4.44 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.88 4.57 0.00 2.78 2.86 0.00 0.00 6.86 7.78 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 76 I 7.47 4.14 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 1.12 0.41 0.90 0.00 0.00 77 V 8.48 4.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.87 0.00 0.00 78 Y 7.05 5.00 0.00 3.03 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.52 4.97 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.91 0.00 0.00 80 S 9.31 4.86 0.00 3.82 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 81 R 8.90 4.32 0.00 1.83 1.95 0.00 3.73 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 82 G 7.93 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 83 K 8.23 4.69 0.00 1.69 1.65 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.42 7.81 84 L 8.52 4.16 0.00 1.63 1.59 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00