NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4423 0.0000 0.0000 62.6750 33.3070 174.6562 3 F 5.1802 8.9662 126.3634 56.2132 41.0847 172.1173 4 I 4.1917 8.8832 128.4471 59.5273 39.6483 174.1729 5 E 4.7629 8.3329 126.8366 54.5535 31.9519 174.3499 6 C 4.6367 9.0633 125.6469 58.4100 30.5165 172.5364 7 H 5.4108 8.8415 121.7778 54.2124 29.7449 174.0690 8 I 4.8563 8.5298 116.3104 58.4810 41.4141 174.7913 9 A 5.3426 8.8386 124.5227 51.7438 18.9421 177.5905 10 T 4.4611 7.7516 110.3704 61.5441 69.5843 173.9677 11 G 3.8933 8.8999 109.0887 45.6449 0.0000 174.5204 12 L 4.3594 7.6728 119.9916 53.7369 42.9191 177.4142 13 S 4.3501 8.3486 116.9533 58.1513 65.2399 175.7986 14 V 3.6381 8.4617 123.2528 65.0023 30.8632 178.5495 15 A 3.9856 7.8834 121.0899 55.0707 18.4099 179.4101 16 R 3.8963 7.8083 116.7224 59.3749 30.1537 178.8966 17 K 4.0519 8.2030 118.5658 59.0810 32.0575 179.1539 18 Q 3.9523 7.8827 119.6498 59.2376 28.9275 178.0508 19 Q 3.9841 8.1658 120.6855 58.8991 29.1128 177.7572 20 L 3.9330 7.9316 121.6241 58.2406 42.1814 179.1030 21 I 3.8816 7.8435 121.7767 64.8245 37.0766 179.2531 22 R 4.0121 7.9254 121.6504 61.4600 29.1866 181.2939 23 D 4.5927 8.4489 119.7209 57.3403 40.8247 179.3199 24 V 3.6889 7.7970 112.9259 64.2293 31.5206 178.6274 25 I 3.6721 7.6125 119.1572 64.3823 36.9718 177.9521 26 D 4.3124 7.9149 118.4558 57.4406 41.1751 178.7426 27 V 3.6679 8.2325 119.8767 64.7627 31.2255 178.5599 28 T 3.8384 7.8566 116.6558 66.5977 68.4910 176.0325 29 N 4.5431 8.2669 122.6778 56.8220 38.6393 177.6139 30 K 4.0830 8.0980 124.1126 59.3001 31.9682 180.5856 31 S 4.6898 7.8251 112.7649 59.2689 63.5854 174.8434 32 I 4.3236 8.0156 121.2501 59.9452 39.0081 176.1683 33 G 3.8852 8.0931 107.7564 46.2994 0.0000 173.4727 34 S 4.4783 7.7559 115.6548 56.8248 64.1279 173.3530 35 D 4.3689 8.5864 124.9563 53.3510 41.6798 175.1038 36 P 4.4450 0.0000 0.0000 66.1421 31.2447 179.0485 37 K 4.0006 9.3826 121.4283 56.7024 31.6181 182.5246 38 I 4.4544 8.1828 109.4176 60.7439 37.6875 174.7741 39 I 4.6550 7.6135 122.0586 60.3589 38.5350 174.9191 40 N 5.1225 9.3275 124.0121 51.4367 41.9344 173.5674 41 V 4.9512 8.6337 122.9223 60.9803 34.8342 174.3608 42 L 4.7610 8.8188 127.9649 53.3178 45.2287 174.4351 43 L 5.1843 8.6921 128.5380 53.2423 44.1061 175.6909 44 V 4.4659 8.6822 125.4243 60.1019 34.4276 174.5867 45 E 5.5805 8.5876 123.5286 55.2286 31.8972 174.6918 46 H 4.9848 8.3665 117.1114 53.9886 33.8935 172.7918 47 A 4.4797 8.6303 123.6902 51.7451 19.4166 178.4260 48 E 3.8726 9.1234 121.7636 59.6862 29.7726 179.5747 49 A 3.9680 8.1224 119.6687 55.3083 18.3451 177.6858 50 N 4.6707 8.3040 110.8384 53.5394 38.6942 174.6883 51 M 4.5046 8.1047 118.9585 53.4842 33.8683 175.0681 52 S 4.7087 8.6503 118.9453 56.4563 64.0880 172.8773 53 I 4.3163 8.2123 128.8490 60.8089 38.7915 176.1620 54 S 3.5020 9.5660 121.8169 59.7020 60.1491 173.7907 55 G 3.9464 8.2537 105.3575 45.9494 0.0000 174.4197 56 R 4.0823 7.7220 119.5754 56.0706 30.6946 176.7604 57 I 4.0346 8.2613 122.0763 61.4888 37.3225 175.5691 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 2 P 0.00 4.44 0.00 2.16 2.28 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 3 F 8.97 5.18 0.00 2.99 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 4 I 8.88 4.19 1.80 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 1.06 0.46 0.82 0.00 0.00 5 E 8.33 4.76 0.00 1.37 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.12 0.00 6 C 9.06 4.64 0.00 2.80 2.78 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 7 H 8.84 5.41 0.00 3.04 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.53 4.86 1.88 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 1.17 1.34 0.91 0.00 0.00 9 A 8.84 5.34 1.26 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 0.00 0.00 0.00 0.00 0.00 10 T 7.75 4.46 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 1.20 0.00 0.00 11 G 8.90 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 0.00 0.00 0.00 12 L 7.67 4.36 0.00 1.65 1.60 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.35 4.35 0.00 4.04 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 14 V 8.46 3.64 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 0.79 0.00 0.00 0.93 0.00 0.00 15 A 7.88 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.90 0.00 1.96 2.07 0.00 3.14 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 17 K 8.20 4.05 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.55 7.81 18 Q 7.88 3.95 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 19 Q 8.17 3.98 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 20 L 7.93 3.93 0.00 1.91 1.83 0.91 1.05 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 21 I 7.84 3.88 2.01 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 1.38 0.90 0.92 0.00 0.00 22 R 7.93 4.01 0.00 1.84 1.94 0.00 3.27 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 23 D 8.45 4.59 0.00 2.91 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 24 V 7.80 3.69 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 25 I 7.61 3.67 2.01 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 1.66 1.06 0.92 0.00 0.00 26 D 7.91 4.31 0.00 2.72 2.82 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 0.00 0.00 0.00 27 V 8.23 3.67 2.17 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 0.79 0.00 0.00 0.93 0.00 0.00 28 T 7.86 3.84 4.44 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 0.00 0.00 0.00 1.22 0.00 0.00 29 N 8.27 4.54 0.00 2.84 3.06 0.00 0.00 6.91 5.93 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 30 K 8.10 4.08 0.00 1.90 1.71 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.31 7.81 31 S 7.83 4.69 0.00 4.01 4.01 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 32 I 8.02 4.32 2.03 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 1.23 0.68 0.92 0.00 0.00 33 G 8.09 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 0.00 0.00 0.00 34 S 7.76 4.48 0.00 3.91 3.80 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 35 D 8.59 4.37 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.26 2.33 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 37 K 9.38 4.00 0.00 1.71 1.78 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.26 7.81 38 I 8.18 4.45 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.92 0.00 0.00 39 I 7.61 4.66 2.01 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 1.24 0.50 0.94 0.00 0.00 40 N 9.33 5.12 0.00 2.77 2.80 0.00 0.00 6.05 8.37 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 41 V 8.63 4.95 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 0.77 0.00 0.00 0.95 0.00 0.00 42 L 8.82 4.76 0.00 1.92 1.44 1.12 0.33 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 L 8.69 5.18 0.00 1.63 1.51 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.68 4.47 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 0.61 0.00 0.00 0.84 0.00 0.00 45 E 8.59 5.58 0.00 1.90 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 2.32 2.14 0.00 46 H 8.37 4.98 0.00 3.03 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.63 4.48 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.12 3.87 0.00 2.01 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 0.00 2.42 2.30 0.00 49 A 8.12 3.97 1.29 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 0.00 0.00 50 N 8.30 4.67 0.00 2.80 2.84 0.00 0.00 6.82 7.49 0.00 0.00 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 M 8.10 4.50 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 52 S 8.65 4.71 0.00 3.78 3.73 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 53 I 8.21 4.32 1.86 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 1.05 0.90 0.00 0.00 54 S 9.57 3.50 0.00 3.98 3.90 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 55 G 8.25 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 56 R 7.72 4.08 0.00 1.96 1.88 0.00 3.15 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 57 I 8.26 4.03 1.87 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 1.27 0.40 0.91 0.00 0.00