NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.3837 8.3449 118.9795 55.8574 30.3185 173.8544 6 I 3.9235 8.1212 119.7879 61.3711 37.6964 174.3090 7 Y 4.5686 9.4246 124.3226 56.2216 42.5021 173.6406 8 Y 4.9130 8.5277 119.3811 56.0116 40.6352 176.0424 9 S 4.4420 8.5853 119.5571 57.6127 64.6835 172.9370 10 D 4.6744 8.4968 120.0252 53.9524 41.9303 174.4523 11 K 5.2099 8.3943 119.7458 54.8195 34.9021 175.2163 12 Y 5.2294 8.5037 120.7813 55.8421 42.2994 173.3393 13 D 5.0000 8.7060 115.0402 53.1945 41.4560 176.0325 14 D 5.0438 8.8264 123.0877 52.4566 41.7487 175.5774 15 E 4.1103 9.0945 115.5015 59.1280 29.8027 177.3612 16 E 4.2538 8.2713 115.7388 55.6142 31.8167 175.1441 17 F 5.0635 8.4722 117.5953 55.2471 42.6503 174.2568 18 E 4.5672 8.8574 122.7046 54.8835 31.3246 174.7227 19 Y 4.7451 8.4213 125.5908 57.4529 40.3433 174.6770 20 R 4.9749 8.5391 120.3405 56.2213 34.4659 173.0349 21 H 5.5183 8.8438 117.2196 54.1343 32.3823 172.2503 22 V 4.4961 9.1291 121.2279 61.5185 34.0766 174.0472 23 M 4.9460 8.9049 127.5875 53.9989 33.9023 174.4815 24 L 5.0242 8.7759 127.3051 52.3602 43.9358 175.3235 25 P 4.4028 0.0000 0.0000 62.3526 31.6896 177.2984 26 K 3.8354 8.8039 121.7536 59.6732 32.7551 178.2655 27 D 4.2010 8.2957 117.8772 57.4055 41.2343 177.7941 28 I 4.0677 7.7221 111.9047 62.7572 37.7875 177.4239 29 A 4.0905 7.5582 122.4879 54.4612 17.8465 179.5816 30 K 3.9445 7.4192 115.6794 59.5314 32.1734 178.3678 31 L 4.1433 7.8178 116.2290 55.6822 41.8146 177.1628 32 V 3.7780 7.2442 120.1265 61.3702 31.3484 173.9085 33 P 4.3245 0.0000 0.0000 63.2417 31.4148 176.4219 34 K 4.2687 8.5294 119.8392 57.4829 32.8220 177.5499 35 T 4.3530 7.7687 107.3963 62.4447 69.6690 174.0794 36 H 4.8643 7.4426 115.6973 53.8572 31.2000 173.1589 37 L 3.9833 8.2769 120.6176 55.1750 42.1420 176.5099 38 M 4.8919 8.0971 120.0614 54.2330 33.9065 177.0684 39 S 4.6474 8.9256 117.8195 57.2305 65.9545 174.9978 40 E 2.5400 8.5413 122.1483 59.3763 29.1252 178.9511 41 S 3.9284 7.7685 114.2952 61.5720 62.6195 176.4391 42 E 3.9609 7.5919 119.9741 59.1527 29.5478 178.9962 43 W 4.5841 8.2178 116.6897 59.9575 28.1656 178.3752 44 R 4.3263 7.8283 119.0193 59.1257 29.2264 178.5363 45 N 4.4263 7.7958 115.4081 56.3738 38.9558 176.6399 46 L 4.2630 8.0405 120.4990 57.1249 41.8417 176.7908 47 G 3.5104 7.7144 106.8281 45.2724 0.0000 173.6998 48 V 3.5929 7.9913 119.8771 63.5327 31.1382 175.1449 49 Q 4.6404 8.8611 128.0340 54.6976 29.0238 175.5044 50 Q 4.4658 8.4179 120.8620 53.9293 32.9076 174.8849 51 S 4.4597 8.5693 114.0076 57.9669 63.8904 173.7713 52 Q 4.3231 8.4433 122.9308 57.3254 29.4828 175.2285 53 G 4.0668 9.0681 112.3855 45.7108 0.0000 174.3613 54 W 4.9651 7.8472 119.3650 56.0985 29.7299 176.6942 55 V 4.9190 9.4333 125.0280 59.8555 34.0661 174.1781 56 H 4.0825 9.6777 124.5857 57.0253 29.1056 174.0324 57 Y 4.5807 8.6231 123.1261 57.1797 38.9705 175.8476 58 M 4.4137 6.9918 118.9888 54.1603 35.1809 173.5959 59 I 4.0266 7.9943 126.5058 60.8496 37.9746 175.3171 60 H 4.7022 8.3188 123.4883 54.0487 30.5502 173.5326 61 E 3.8078 8.6327 126.6147 58.4449 29.6704 177.0749 62 P 4.3277 0.0000 0.0000 65.2192 31.3844 176.0528 63 E 4.6346 7.5766 118.0084 53.0261 30.0658 174.0166 64 P 4.2972 0.0000 0.0000 64.9163 31.7573 177.3202 65 H 4.7722 8.2757 113.8660 55.5515 30.0512 174.1543 66 I 4.7590 7.8309 120.8735 59.8534 38.9004 174.9240 67 L 4.3025 8.8143 128.8064 53.2464 43.0925 176.0478 68 L 4.8025 8.1929 124.4100 54.0301 42.8423 176.1530 69 F 5.0688 9.2185 123.0693 56.3445 42.2526 174.6936 70 R 4.8624 8.8821 119.2810 55.8626 34.0126 173.3896 71 R 4.7975 7.8455 120.5937 54.5350 33.7804 172.2097 72 P 4.5545 0.0000 0.0000 61.7251 32.4556 176.0074 73 L 3.7309 8.2600 123.9035 55.1308 42.1861 174.8771 74 P 3.7144 0.0000 0.0000 63.2715 30.5814 176.2733 75 K 4.6846 8.0249 122.0716 56.4296 31.7560 174.8998 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 5 Q 8.34 4.38 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.89 0.00 0.00 0.00 0.00 0.00 1.76 2.09 0.00 6 I 8.12 3.92 1.70 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 0.59 0.43 0.00 0.00 7 Y 9.42 4.57 0.00 2.86 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 8 Y 8.53 4.91 0.00 2.69 2.67 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 9 S 8.59 4.44 0.00 3.71 3.54 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 0.00 0.00 0.00 10 D 8.50 4.67 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 5.21 0.00 1.77 1.83 0.00 2.13 0.00 0.00 2.19 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.48 7.81 12 Y 8.50 5.23 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 13 D 8.71 5.00 0.00 2.73 2.61 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 0.00 0.00 0.00 14 D 8.83 5.04 0.00 2.96 2.98 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 15 E 9.09 4.11 0.00 2.06 2.14 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 2.31 2.42 0.00 16 E 8.27 4.25 0.00 1.60 1.97 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 2.18 1.66 0.00 17 F 8.47 5.06 0.00 2.52 1.92 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 18 E 8.86 4.57 0.00 1.80 1.50 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 2.32 2.26 0.00 19 Y 8.42 4.75 0.00 1.46 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 20 R 8.54 4.97 0.00 1.64 1.31 0.00 2.69 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.30 0.00 21 H 8.84 5.52 0.00 3.35 3.44 0.00 5.29 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 9.13 4.50 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 0.61 0.00 0.00 0.59 0.00 0.00 23 M 8.90 4.95 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 24 L 8.78 5.02 0.00 1.54 1.58 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.40 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 26 K 8.80 3.84 0.00 1.83 1.86 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 27 D 8.30 4.20 0.00 2.76 2.65 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 0.00 0.00 0.00 28 I 7.72 4.07 1.90 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 1.62 0.58 0.93 0.00 0.00 29 A 7.56 4.09 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 30 K 7.42 3.94 0.00 1.85 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.69 7.81 31 L 7.82 4.14 0.00 1.74 1.74 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.24 3.78 2.25 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 0.78 0.00 0.00 0.96 0.00 0.00 33 P 0.00 4.32 0.00 1.89 1.98 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 34 K 8.53 4.27 0.00 1.75 2.07 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.40 7.81 35 T 7.77 4.35 4.28 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 1.22 0.00 0.00 36 H 7.44 4.86 0.00 3.20 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.28 3.98 0.00 1.63 1.50 0.88 0.59 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 38 M 8.10 4.89 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 39 S 8.93 4.65 0.00 4.02 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 40 E 8.54 2.54 0.00 1.92 1.75 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 1.69 1.52 0.00 41 S 7.77 3.93 0.00 3.83 3.82 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 42 E 7.59 3.96 0.00 2.27 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 0.00 2.37 2.33 0.00 43 W 8.22 4.58 0.00 3.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.83 4.33 0.00 1.72 1.98 0.00 2.87 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.00 45 N 7.80 4.43 0.00 2.87 3.05 0.00 0.00 7.28 8.52 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 46 L 8.04 4.26 0.00 2.06 1.81 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.99 3.59 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 0.33 0.00 0.00 0.99 0.00 0.00 49 Q 8.86 4.64 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 50 Q 8.42 4.47 0.00 1.72 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.02 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 51 S 8.57 4.46 0.00 4.09 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 52 Q 8.44 4.32 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 53 G 9.07 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 7.85 4.97 0.00 3.35 2.94 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 55 V 9.43 4.92 2.31 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 1.00 0.00 0.00 1.16 0.00 0.00 56 H 9.68 4.08 0.00 3.00 3.57 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.62 4.58 0.00 3.10 3.09 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 58 M 6.99 4.41 0.00 1.04 0.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 59 I 7.99 4.03 1.81 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 1.20 0.58 0.91 0.00 0.00 60 H 8.32 4.70 0.00 3.01 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.63 3.81 0.00 1.94 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 0.00 2.27 2.21 0.00 62 P 0.00 4.33 0.00 2.08 2.11 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.77 0.00 63 E 7.58 4.63 0.00 2.00 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 2.27 2.29 0.00 64 P 0.00 4.30 0.00 2.18 2.19 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 65 H 8.28 4.77 0.00 3.45 3.55 0.00 5.42 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.83 4.76 1.89 0.00 0.00 0.71 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 0.26 0.72 0.00 0.00 67 L 8.81 4.30 0.00 1.68 1.08 1.03 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.19 4.80 0.00 1.40 1.74 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.22 5.07 0.00 2.85 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 70 R 8.88 4.86 0.00 0.67 1.28 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 71 R 7.85 4.80 0.00 0.67 0.68 0.00 2.41 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.20 0.00 72 P 0.00 4.55 0.00 1.85 1.78 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.28 0.00 73 L 8.26 3.73 0.00 1.35 1.53 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 3.71 0.00 1.96 1.96 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 75 K 8.02 4.68 0.00 1.77 2.05 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.38 7.81