NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9124 8.0544 120.3784 62.1299 32.9233 174.8225 2 D 4.3280 8.2173 123.3821 53.6547 41.8801 175.6646 3 N 4.3718 9.1096 122.6284 56.2898 39.3286 176.6956 4 K 3.8159 8.9775 121.6022 59.7295 32.0815 178.4383 5 F 3.7374 8.3797 117.5757 60.7236 39.0478 177.3892 6 N 4.3313 8.2527 115.3590 56.2747 38.1902 177.4805 7 K 3.9805 7.9811 118.7839 59.4415 32.4867 179.0936 8 E 4.0505 8.2383 118.6811 59.8391 29.5290 179.3794 9 M 4.1759 7.9386 118.4946 58.1684 31.6617 178.5881 10 R 3.8617 7.5736 118.0217 59.7042 30.1768 177.9680 11 N 4.6815 8.0019 115.0757 54.6378 38.5799 175.4731 12 A 4.6310 7.5973 123.0814 51.3524 21.5816 173.0562 13 Y 4.5294 8.7437 128.5075 57.2792 48.0800 176.1980 14 W 4.3036 8.2750 120.9212 59.7918 29.5548 177.9405 15 E 4.0854 8.4306 117.5800 59.5108 28.6428 178.9651 16 I 3.7301 7.6904 119.5096 64.2741 36.9565 178.2245 17 A 3.7809 7.7705 119.5853 54.3045 18.3817 178.6253 18 L 4.1379 7.5212 118.6169 57.1291 42.1840 177.6891 19 L 4.0722 6.9773 119.0888 54.3537 41.6354 175.2578 20 P 4.5396 0.0000 0.0000 63.5235 32.0958 176.1358 21 N 4.7338 7.8715 115.7811 52.7037 38.2269 174.7058 22 L 4.2044 7.7031 120.0176 54.4282 42.5591 177.1725 23 N 4.5333 8.6632 120.2394 53.0993 40.4780 175.9112 24 N 4.3240 8.7278 119.7451 56.8973 38.6235 177.7593 25 Q 4.0188 8.0168 118.2363 59.2734 28.8288 178.3049 26 Q 3.8485 8.0062 119.4873 58.5790 28.7603 178.6295 27 K 4.0696 8.1970 119.3686 59.8161 32.2045 179.6893 28 R 3.9502 7.8799 117.5445 58.9712 29.8429 179.0684 29 A 3.8738 8.1881 120.9256 55.1400 18.3856 179.6305 30 F 4.1512 7.7517 115.8845 60.9615 37.9042 177.9888 31 I 3.6571 7.6416 119.0380 64.3861 36.8823 178.5546 32 R 4.1878 8.2116 119.6285 59.4384 29.8671 178.4526 33 S 4.1826 8.4977 113.4054 61.1456 62.0380 175.9983 34 L 3.9949 7.7669 121.2536 58.1610 41.5290 178.5654 35 Y 4.3250 7.4379 118.0140 60.7730 38.8193 177.0763 36 D 4.8255 7.8494 117.5636 56.6468 42.0972 176.0106 37 D 4.3760 8.2176 118.9447 53.0778 43.4336 174.1738 38 P 4.3133 0.0000 0.0000 64.3656 31.6960 179.0428 39 S 4.1190 7.8042 113.1401 60.6531 63.4063 174.7346 40 Q 4.3759 7.8766 118.8512 55.6642 29.2258 177.2146 41 S 4.0742 7.8863 115.0957 61.9245 62.7135 176.6408 42 A 3.9579 7.8927 123.5014 54.7749 18.1334 179.2917 43 N 4.2810 7.9224 114.4948 56.4001 38.7569 177.4072 44 L 4.0470 8.4891 120.7115 57.7267 41.7298 179.3686 45 L 3.6759 7.9551 119.8540 58.1055 42.0523 178.8908 46 A 3.9266 7.7366 120.2086 55.2172 18.3731 179.4429 47 E 3.9140 8.7130 117.2364 59.3851 29.5144 179.4624 48 A 3.3679 7.5098 121.2316 54.7805 18.3091 179.6376 49 K 3.8546 7.8428 118.1289 59.1419 32.1124 179.0092 50 K 3.8944 7.8710 120.1622 59.5733 32.1610 178.8290 51 L 4.0188 7.8594 119.0550 57.6098 41.4791 178.9918 52 N 4.6139 8.2000 118.3798 56.3263 38.7209 176.4365 53 D 4.2989 8.2937 118.1447 57.1069 41.3380 177.8577 54 A 4.1236 7.9534 120.4854 55.5045 18.6122 179.5403 55 Q 4.0455 8.3711 114.9868 57.5376 29.1815 177.1646 56 A 4.1227 7.4182 122.6719 51.3255 18.9826 175.5388 57 P 4.3658 0.0000 0.0000 63.3002 32.2796 176.7509 58 K 4.1931 8.5140 117.5334 57.1474 31.9157 175.8811 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 V 8.05 3.91 1.86 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 0.29 0.00 0.00 0.70 0.00 0.00 2 D 8.22 4.33 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 9.11 4.37 0.00 2.79 2.90 0.00 0.00 6.66 7.72 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 4 K 8.98 3.82 0.00 1.91 1.94 0.00 1.61 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 1.38 1.49 7.81 5 F 8.38 3.74 0.00 3.32 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 6 N 8.25 4.33 0.00 2.91 2.86 0.00 0.00 7.00 6.90 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 7 K 7.98 3.98 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.64 7.81 8 E 8.24 4.05 0.00 1.91 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 2.25 2.42 0.00 9 M 7.94 4.18 0.00 1.91 2.21 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 10 R 7.57 3.86 0.00 1.98 2.12 0.00 3.29 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 11 N 8.00 4.68 0.00 2.88 2.86 0.00 0.00 6.92 7.32 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 12 A 7.60 4.63 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.74 4.53 0.00 2.86 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 0.00 0.00 0.00 0.00 14 W 8.27 4.30 0.00 3.67 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 E 8.43 4.09 0.00 1.94 2.04 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 2.37 2.56 0.00 16 I 7.69 3.73 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.82 0.00 0.00 17 A 7.77 3.78 1.37 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 0.00 0.00 18 L 7.52 4.14 0.00 1.71 1.89 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 L 6.98 4.07 0.00 1.58 1.61 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.54 0.00 2.18 2.17 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 21 N 7.87 4.73 0.00 2.97 3.09 0.00 0.00 6.28 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 22 L 7.70 4.20 0.00 1.71 1.73 0.97 1.21 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 23 N 8.66 4.53 0.00 2.74 2.75 0.00 0.00 7.29 6.98 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 24 N 8.73 4.32 0.00 2.76 2.88 0.00 0.00 6.59 7.31 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 25 Q 8.02 4.02 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 26 Q 8.01 3.85 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.25 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 27 K 8.20 4.07 0.00 1.98 1.89 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.71 7.81 28 R 7.88 3.95 0.00 1.82 1.97 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 29 A 8.19 3.87 1.11 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 0.00 0.00 30 F 7.75 4.15 0.00 3.15 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 31 I 7.64 3.66 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.92 0.82 0.00 0.00 32 R 8.21 4.19 0.00 1.97 2.06 0.00 3.10 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 1.67 1.65 0.00 33 S 8.50 4.18 0.00 3.99 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 34 L 7.77 3.99 0.00 2.01 1.87 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.44 4.33 0.00 3.25 3.24 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 36 D 7.85 4.83 0.00 2.80 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 37 D 8.22 4.38 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 1.92 1.71 0.00 3.50 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 1.56 0.46 0.00 39 S 7.80 4.12 0.00 3.95 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 40 Q 7.88 4.38 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 41 S 7.89 4.07 0.00 4.05 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 42 A 7.89 3.96 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 43 N 7.92 4.28 0.00 2.91 2.89 0.00 0.00 7.14 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 44 L 8.49 4.05 0.00 1.78 1.89 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.96 3.68 0.00 1.72 1.77 0.83 1.06 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 46 A 7.74 3.93 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 47 E 8.71 3.91 0.00 2.08 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 0.00 2.50 2.59 0.00 48 A 7.51 3.37 0.72 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.84 3.85 0.00 1.95 1.81 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 50 K 7.87 3.89 0.00 1.98 1.98 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 51 L 7.86 4.02 0.00 2.01 1.79 1.17 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.20 4.61 0.00 2.75 2.90 0.00 0.00 6.80 7.96 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 53 D 8.29 4.30 0.00 2.73 2.81 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 54 A 7.95 4.12 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 55 Q 8.37 4.05 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 56 A 7.42 4.12 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 57 P 0.00 4.37 0.00 2.19 2.07 0.00 3.90 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 1.99 1.99 0.00 58 K 8.51 4.19 0.00 1.94 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81