NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3871 8.3049 120.3479 55.3034 33.5214 174.5726 2 E 4.6575 7.8717 119.2064 55.3896 34.2200 174.0403 3 Q 4.3029 9.0097 125.9823 55.7989 30.1436 175.0610 4 R 4.9145 8.4631 124.1580 54.5770 31.8349 175.9806 5 I 4.7346 8.4365 124.0039 59.7161 42.2838 175.4167 6 T 4.4563 8.5390 121.2068 63.2626 69.2385 175.5540 7 L 4.1212 8.5601 125.5453 57.8424 41.9856 179.3723 8 K 4.1965 8.0682 118.1300 59.2599 33.0885 178.4252 9 D 4.5572 8.0469 119.4780 56.6878 41.0088 177.5448 10 Y 4.4509 8.3064 119.8381 59.9265 38.8883 177.0808 11 A 4.4366 7.8800 122.5068 53.8199 18.4776 179.1733 12 M 4.0993 7.9724 116.3201 57.9655 32.6386 178.6015 13 R 4.0961 8.0101 116.9605 57.9240 30.4159 177.3798 14 F 4.4499 8.8143 115.6418 57.9738 41.3331 174.8262 15 G 3.7633 7.4676 106.5926 43.8391 0.0000 175.0224 16 Q 3.9716 8.7462 123.9303 58.8460 28.7785 179.0686 17 T 3.8966 7.7705 116.8454 66.5340 68.5452 176.5972 18 K 4.0912 7.8636 119.8877 59.5258 32.3206 179.4557 19 T 4.0323 7.6279 115.4915 66.1737 68.3077 176.3239 20 A 4.1772 8.0882 122.3419 53.9960 18.5238 179.2099 21 K 4.0438 7.6579 117.0148 58.9715 32.3583 178.0903 22 D 4.5990 8.0233 118.3655 56.2425 41.1916 177.9711 23 L 4.3322 7.8251 117.5182 55.1286 42.0466 176.5056 24 G 4.1591 8.2313 106.7285 45.4893 0.0000 174.3875 25 V 3.1113 7.2259 110.9898 61.5215 32.1563 174.8572 26 Y 4.6878 6.4387 118.5768 56.9550 39.4838 177.0408 27 Q 4.1080 8.5876 119.0690 59.1395 28.5982 178.9319 28 S 4.2972 8.2588 115.1365 60.5353 63.0081 175.8849 29 A 4.1702 7.9721 123.8813 54.6311 18.7774 179.5762 30 I 3.7283 7.5695 117.9192 64.2415 37.2820 178.0060 31 N 4.2975 8.2268 118.1556 56.5037 38.8106 177.2083 32 K 3.9228 7.8994 119.3903 59.1720 31.8550 179.2200 33 A 3.9544 7.6944 120.2722 55.3762 18.5544 179.6383 34 I 3.8499 7.7034 117.7361 64.5816 36.8541 178.4288 35 H 4.3019 8.1214 116.5585 58.5336 28.6161 177.1713 36 A 4.2259 8.0142 121.3935 52.4583 18.3580 177.4243 37 G 3.9986 7.4777 104.8325 46.3924 0.0000 173.7985 38 R 4.4040 7.7009 118.0936 54.5605 32.2945 177.7962 39 K 4.3744 8.1314 117.3039 55.9933 30.9692 174.7048 40 I 4.2595 7.7690 122.3355 59.4644 38.9926 174.7342 41 F 5.2839 7.8287 126.3862 56.1773 41.7626 174.9369 42 L 4.6476 8.7376 122.1374 54.0369 44.6305 175.5714 43 T 4.9325 8.4884 125.0320 62.3246 68.3562 172.2994 44 I 5.2089 8.1184 125.8086 59.6431 38.9518 175.0186 45 N 5.0626 8.9230 123.4752 51.1674 39.9676 175.9956 46 A 4.0490 8.5961 123.9102 55.2794 18.6184 178.1608 47 D 4.4397 8.0698 115.4445 54.7755 40.8906 177.2142 48 G 4.1708 7.7784 104.9483 46.6209 0.0000 174.3830 49 S 4.6472 7.3738 114.4946 57.1564 64.8632 173.5355 50 V 4.4476 8.3331 122.7305 61.4730 33.5523 174.8004 51 Y 5.0342 8.6365 129.7968 55.6149 38.8391 173.1528 52 A 4.6109 8.1044 124.0608 51.2370 19.9575 176.3344 53 E 4.5161 8.6587 119.9963 54.4405 34.6586 173.9246 54 E 5.1374 8.2863 120.7922 53.6449 32.2183 175.7040 55 V 4.2334 7.4467 126.4162 62.0120 33.6751 173.2275 56 K 4.6737 8.4074 128.7710 53.8033 35.2511 173.9570 57 P 4.5383 0.0000 0.0000 62.4950 32.2502 175.3446 58 F 4.6845 8.5348 122.7785 56.1743 41.1308 174.7442 59 P 3.1549 0.0000 0.0000 61.8783 33.1980 175.2116 60 S 4.2379 8.3086 110.9348 61.3863 63.1256 174.8554 61 N 4.5654 7.5464 118.3043 53.2635 39.9106 174.4428 62 K 3.8721 8.7853 123.1770 56.5748 32.1802 175.3788 63 K 4.5345 8.0997 118.6982 55.2801 34.8739 174.7994 64 T 4.6841 8.1678 118.8256 61.0674 70.7730 172.3740 65 T 4.5273 8.1241 119.9263 61.6679 70.6111 175.0353 66 A 4.2113 8.3708 124.9885 52.6119 18.6489 177.6505 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 M 8.30 4.39 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 2 E 7.87 4.66 0.00 1.99 1.78 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 2.14 2.41 0.00 3 Q 9.01 4.30 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 4 R 8.46 4.91 0.00 1.64 1.82 0.00 3.34 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 5 I 8.44 4.73 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 1.02 0.00 0.00 6 T 8.54 4.46 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 1.47 0.00 0.00 7 L 8.56 4.12 0.00 1.82 1.70 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.07 4.20 0.00 2.06 2.09 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.58 7.81 9 D 8.05 4.56 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 10 Y 8.31 4.45 0.00 2.83 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 11 A 7.88 4.44 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 12 M 7.97 4.10 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 13 R 8.01 4.10 0.00 2.21 1.78 0.00 3.19 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 14 F 8.81 4.45 0.00 2.84 3.16 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 0.00 0.00 0.00 0.00 15 G 7.47 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.75 3.97 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 17 T 7.77 3.90 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 1.22 0.00 0.00 18 K 7.86 4.09 0.00 1.67 1.89 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.52 7.81 19 T 7.63 4.03 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 1.36 0.00 0.00 20 A 8.09 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.04 0.00 1.87 2.00 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 22 D 8.02 4.60 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.33 0.00 1.78 1.69 1.03 0.98 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 24 G 8.23 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.23 3.11 1.78 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 0.59 0.00 0.00 0.84 0.00 0.00 26 Y 6.44 4.69 0.00 3.07 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 27 Q 8.59 4.11 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 28 S 8.26 4.30 0.00 4.00 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 29 A 7.97 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.57 3.73 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.95 0.00 0.00 31 N 8.23 4.30 0.00 3.05 2.68 0.00 0.00 6.84 6.06 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 32 K 7.90 3.92 0.00 1.95 1.84 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 33 A 7.69 3.95 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 34 I 7.70 3.85 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.96 0.00 0.00 35 H 8.12 4.30 0.00 3.24 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.01 4.23 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 37 G 7.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.40 0.00 1.77 1.98 0.00 3.18 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 39 K 8.13 4.37 0.00 1.45 1.60 0.00 2.05 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.65 7.81 40 I 7.77 4.26 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.81 0.00 0.00 41 F 7.83 5.28 0.00 2.95 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 42 L 8.74 4.65 0.00 1.89 1.39 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.49 4.93 4.53 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 0.00 0.00 0.00 1.41 0.00 0.00 44 I 8.12 5.21 1.74 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.37 0.75 0.00 0.00 45 N 8.92 5.06 0.00 2.81 2.70 0.00 0.00 7.45 7.94 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 46 A 8.60 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.44 0.00 2.72 2.66 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 48 G 7.78 4.17 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 0.00 0.00 0.00 49 S 7.37 4.65 0.00 3.91 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 50 V 8.33 4.45 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 0.74 0.00 0.00 0.99 0.00 0.00 51 Y 8.64 5.03 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.61 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.52 0.00 1.40 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.47 0.00 54 E 8.29 5.14 0.00 1.76 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 2.05 2.03 0.00 55 V 7.45 4.23 2.35 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 0.91 0.00 0.00 0.76 0.00 0.00 56 K 8.41 4.67 0.00 1.69 1.59 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.44 7.81 57 P 0.00 4.54 0.00 2.27 2.08 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 58 F 8.53 4.68 0.00 3.09 2.95 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 59 P 0.00 3.15 0.00 1.62 0.49 0.00 3.59 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.47 0.00 60 S 8.31 4.24 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.55 4.57 0.00 2.67 2.69 0.00 0.00 6.81 7.57 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 62 K 8.79 3.87 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.30 7.81 63 K 8.10 4.53 0.00 1.68 1.60 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.41 7.81 64 T 8.17 4.68 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 1.22 0.00 0.00 65 T 8.12 4.53 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 1.21 0.00 0.00 66 A 8.37 4.21 1.24 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 0.00 0.00 0.00