NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1443 8.3193 115.1972 58.2423 64.0984 174.1925 2 Y 4.1467 5.5749 116.2521 56.0364 38.7515 173.7127 3 Q 4.4642 9.2581 121.0546 55.4943 29.0319 177.7051 4 V 4.6569 8.1615 112.8152 61.8620 35.9119 173.8233 5 I 4.7618 7.8695 114.2828 59.4535 40.7307 175.7016 6 C 4.8917 9.2037 119.3930 55.2951 43.7616 173.5191 7 R 4.4179 8.7248 125.4923 55.3194 30.6669 174.9399 8 D 5.0349 8.4263 127.3979 52.6180 42.4338 176.4470 9 E 4.2632 8.9739 123.6790 56.9796 30.1891 177.2345 10 K 4.2447 8.7938 120.9952 58.1864 32.5609 176.9031 11 T 4.4937 7.4726 108.7870 60.7382 69.3374 172.4287 12 Q 3.5996 8.5495 120.7364 57.3175 27.5992 172.5013 13 M 4.5607 7.2598 113.3251 53.5992 35.9608 174.5051 14 I 4.2991 7.7289 125.4280 60.7876 39.0299 174.5463 15 Y 4.7339 8.0377 120.5818 56.5849 42.6342 175.5160 16 Q 4.6805 8.6112 120.5945 55.0384 31.0968 175.2715 17 Q 4.1673 8.3721 119.3304 57.3784 30.2509 175.9076 18 H 4.7376 8.7570 119.5148 56.7688 27.5223 174.2609 19 Q 4.7410 8.1025 120.4074 55.3215 30.4608 174.5082 20 S 5.4119 8.7444 120.3798 56.5845 65.3099 173.5768 21 W 4.9474 8.5186 119.9502 55.2440 31.0937 174.5890 22 L 4.3422 8.4656 124.6512 54.5246 42.6445 175.9383 23 R 4.8094 8.8682 118.0818 53.9165 35.0385 173.2425 24 P 4.6005 0.0000 0.0000 63.0518 32.2993 176.0770 25 V 4.0506 8.0475 114.2357 60.5674 32.5139 176.0918 26 L 4.3212 7.8527 120.4043 56.6264 41.9821 178.2775 27 R 4.8146 7.5027 115.3678 56.4765 37.1049 176.0644 28 S 4.5633 8.2530 111.3900 58.8820 60.9970 174.7489 29 N 4.9796 9.0929 121.0024 53.9505 40.9000 174.3684 30 R 4.4246 7.8237 118.3351 56.0309 30.8718 175.8309 31 V 4.5276 8.0446 111.0336 60.1815 36.2936 174.7778 32 E 4.5376 8.8820 124.7437 55.7303 30.8403 174.5666 33 Y 4.5253 8.2954 126.9149 55.9530 40.8988 173.6023 34 C 5.3196 7.6940 124.5900 54.8653 45.9530 172.4870 35 W 5.1462 8.7990 121.5575 54.4412 32.1283 173.3622 36 C 4.5604 9.4054 122.4208 56.9187 43.3457 173.5890 37 N 4.8023 8.4609 125.3129 54.8347 39.1572 174.3195 38 S 4.6373 7.4436 113.2556 58.2994 66.4823 175.8828 39 G 3.7340 7.6836 116.2032 45.3458 0.0000 173.2018 40 R 4.2715 7.5317 114.5195 54.3691 29.9655 173.6671 41 A 3.3871 7.9113 124.3503 52.5418 15.7521 176.2465 42 Q 3.8991 8.1712 123.3739 55.9916 29.8204 173.9777 43 C 5.4845 8.3543 123.7401 55.5910 38.2026 173.1333 44 H 5.0020 9.2673 116.4255 54.6191 31.9938 172.5179 45 S 4.8008 8.7870 118.3241 57.3525 63.8171 173.8214 46 V 4.4223 7.8356 126.3055 60.0496 33.2320 173.6126 47 P 4.5772 0.0000 0.0000 62.9918 31.7232 176.3154 48 V 4.2717 7.8784 113.5533 60.2034 33.5600 174.9622 49 K 3.7424 8.1382 120.5207 57.6459 30.1567 174.1306 50 S 4.3224 7.6907 116.4567 58.6398 63.1037 174.8383 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 S 8.32 4.14 0.00 3.60 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 2 Y 5.57 4.15 0.00 3.15 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 3 Q 9.26 4.46 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 4 V 8.16 4.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.05 0.00 0.00 5 I 7.87 4.76 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 1.37 0.66 0.95 0.00 0.00 6 C 9.20 4.89 0.00 2.84 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 4.42 0.00 1.77 1.83 0.00 3.16 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 8 D 8.43 5.03 0.00 3.01 2.72 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 9 E 8.97 4.26 0.00 2.13 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 2.31 2.32 0.00 10 K 8.79 4.24 0.00 1.89 1.95 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.45 7.81 11 T 7.47 4.49 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 1.43 0.00 0.00 12 Q 8.55 3.60 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.31 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 13 M 7.26 4.56 0.00 1.70 1.63 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.26 0.00 14 I 7.73 4.30 1.60 0.00 0.00 0.70 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 0.81 0.82 0.00 0.00 15 Y 8.04 4.73 0.00 2.19 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.68 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 17 Q 8.37 4.17 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.12 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 18 H 8.76 4.74 0.00 3.39 3.42 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.10 4.74 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 20 S 8.74 5.41 0.00 3.72 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 21 W 8.52 4.95 0.00 2.70 2.39 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 22 L 8.47 4.34 0.00 1.51 1.61 0.90 0.46 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 23 R 8.87 4.81 0.00 1.78 1.93 0.00 3.64 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 24 P 0.00 4.60 0.00 1.95 2.06 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 25 V 8.05 4.05 2.18 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 0.81 0.00 0.00 1.01 0.00 0.00 26 L 7.85 4.32 0.00 1.64 1.64 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.50 4.81 0.00 1.75 1.91 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 28 S 8.25 4.56 0.00 3.86 3.25 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 0.00 29 N 9.09 4.98 0.00 2.65 2.75 0.00 0.00 6.84 7.67 0.00 0.00 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 R 7.82 4.42 0.00 1.71 1.92 0.00 3.17 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 31 V 8.04 4.53 2.12 0.00 0.00 0.00 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 1.04 0.00 0.00 32 E 8.88 4.54 0.00 2.12 1.84 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 2.28 2.25 0.00 33 Y 8.30 4.53 0.00 2.88 2.38 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 34 C 7.69 5.32 0.00 2.58 1.67 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.80 5.15 0.00 3.44 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.41 4.56 0.00 3.49 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 37 N 8.46 4.80 0.00 2.73 2.64 0.00 0.00 7.41 7.79 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 38 S 7.44 4.64 0.00 3.99 3.94 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 0.00 0.00 0.00 0.00 39 G 7.68 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 0.00 0.00 0.00 40 R 7.53 4.27 0.00 1.86 1.98 0.00 3.17 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 41 A 7.91 3.39 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.17 3.90 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 43 C 8.35 5.48 0.00 2.75 2.84 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 44 H 9.27 5.00 0.00 3.10 3.49 0.00 5.25 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.79 4.80 0.00 3.79 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 46 V 7.84 4.42 2.16 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 0.74 0.00 0.00 0.86 0.00 0.00 47 P 0.00 4.58 0.00 2.22 2.08 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 V 7.88 4.27 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 0.86 0.00 0.00 0.95 0.00 0.00 49 K 8.14 3.74 0.00 1.81 1.80 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.35 7.81 50 S 7.69 4.32 0.00 4.03 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