NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5272 8.2076 120.1907 53.7841 42.2310 176.1603 4 F 4.1963 8.4710 122.7160 59.3501 38.0614 176.5514 5 C 4.6513 8.9134 119.5743 58.9786 40.9066 175.3428 6 L 4.4688 7.7521 118.1106 54.4939 41.7875 176.5015 7 E 4.3392 7.7476 118.8204 54.8946 30.2391 175.0623 8 P 4.3607 0.0000 0.0000 61.4909 32.0964 174.7224 9 P 3.7089 0.0000 0.0000 62.6360 31.4760 175.3356 10 Y 4.6317 7.8601 121.5344 56.0581 40.0031 175.3965 11 T 4.1386 8.3064 125.4812 65.1370 68.8248 176.2451 12 G 3.7084 6.6572 105.9854 44.0896 0.0000 171.2393 13 P 4.3398 0.0000 0.0000 64.3394 32.1938 177.4736 14 C 4.5505 7.8092 116.8063 56.8547 40.8688 173.2556 15 L 4.5082 8.0312 118.6922 54.5659 41.8671 176.8844 16 A 4.2152 7.8583 121.7631 51.6090 20.2437 177.7619 17 R 4.6418 8.2209 118.8147 54.2723 29.9273 172.7980 18 I 4.4397 8.4419 122.9268 58.9860 39.8840 174.6115 19 I 4.3766 8.2789 128.0640 60.9047 37.8690 175.3139 20 R 4.8510 8.3247 124.9387 54.6146 34.7467 173.6465 21 Y 5.5086 9.4132 117.8977 56.6114 40.6983 175.3623 22 F 5.7761 9.6199 117.2623 55.2397 41.9288 173.1229 23 Y 4.3335 10.0455 123.0690 57.5277 39.5472 174.5463 24 N 4.5893 8.1889 126.7383 51.7656 38.9373 175.1626 25 A 3.8319 8.3602 130.0372 54.6382 19.0511 178.6479 26 K 3.9778 7.9949 116.0738 59.3529 32.2476 177.7228 27 A 4.1756 8.0389 119.0929 51.9254 19.2147 176.9385 28 G 3.9570 7.7905 103.6133 46.4109 0.0000 173.6425 29 L 4.8070 6.9703 116.9600 52.6148 46.4958 176.7560 30 C 4.9259 8.8424 120.3230 56.9863 38.1023 172.9968 31 Q 4.9077 8.8285 122.4255 54.1192 32.7148 174.7509 32 T 4.8608 8.4055 111.0024 61.3109 70.8104 173.4602 33 F 4.9890 8.9169 117.1504 56.0062 42.1319 172.8905 34 V 4.3377 8.4199 119.5862 62.0741 32.2286 174.1245 35 Y 4.7910 8.8594 130.1573 56.1049 40.5233 176.1619 36 G 4.0302 8.1504 112.8677 45.6102 0.0000 174.9837 37 G 3.7563 6.1793 107.8086 45.1860 0.0000 172.5079 38 C 4.9879 6.9683 112.7078 54.7765 44.7324 173.6076 39 R 3.8878 8.8540 116.2020 56.8675 26.9669 176.5962 40 A 4.1289 7.5035 116.5642 52.9714 18.6760 178.9845 41 K 4.3185 8.4177 121.0608 55.3517 33.7680 177.0366 42 R 3.7236 8.0315 117.3560 58.2173 30.5344 177.4274 43 N 4.8096 7.8367 118.1241 51.0721 37.3246 173.6806 44 N 4.9313 6.3268 115.2228 52.9590 41.3342 173.2125 45 F 5.0278 9.3720 124.7938 55.7406 42.7217 176.2609 46 K 4.4763 8.8845 121.5884 57.7776 32.8143 177.4209 47 S 4.5581 7.6831 112.8451 55.6563 67.1513 174.6003 48 A 3.3119 7.4162 124.0630 54.9675 18.0187 179.9547 49 E 3.7988 7.7881 116.7495 59.5864 29.5977 179.0944 50 D 4.2704 8.1576 119.0554 57.2853 40.8296 177.9932 51 C 2.4500 7.6685 118.7444 59.1173 44.4397 175.6994 52 L 3.7771 7.9266 120.9191 57.5989 40.9167 179.4424 53 R 3.7624 7.6904 117.8414 59.7331 30.0859 178.3269 54 T 4.1698 7.5163 114.1508 65.4004 69.0057 174.8814 55 C 4.5386 8.2671 116.2228 55.8786 42.3029 174.1367 56 G 3.7130 7.4503 109.2867 47.3984 0.0000 173.8951 57 G 3.7933 8.8357 111.6166 45.2827 0.0000 173.1224 58 A 4.0261 7.1908 127.6591 52.2052 18.2769 177.8261 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 3 D 8.21 4.53 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.20 0.00 3.34 3.30 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 5 C 8.91 4.65 0.00 2.94 3.19 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 6 L 7.75 4.47 0.00 1.78 1.74 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.75 4.34 0.00 2.16 1.89 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 2.42 2.49 0.00 8 P 0.00 4.36 0.00 1.95 1.91 0.00 3.68 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 2.01 2.06 0.00 9 P 0.00 3.71 0.00 0.49 0.49 0.00 3.25 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.00 10 Y 7.86 4.63 0.00 2.81 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 T 8.31 4.14 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 1.18 0.00 0.00 12 G 6.66 3.71 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 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.17 2.19 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 14 C 7.81 4.55 0.00 2.82 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 15 L 8.03 4.51 0.00 1.54 1.59 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.86 4.22 1.16 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 17 R 8.22 4.64 0.00 1.73 1.76 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.44 4.44 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.51 0.97 0.00 0.00 19 I 8.28 4.38 1.81 0.00 0.00 0.83 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 0.42 0.72 0.00 0.00 20 R 8.32 4.85 0.00 0.89 1.93 0.00 3.40 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 21 Y 9.41 5.51 0.00 3.19 3.06 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 0.00 0.00 0.00 22 F 9.62 5.78 0.00 3.25 2.96 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 23 Y 10.05 4.33 0.00 3.02 3.10 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 24 N 8.19 4.59 0.00 2.23 2.44 0.00 0.00 6.66 7.38 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 25 A 8.36 3.83 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 26 K 7.99 3.98 0.00 1.75 1.97 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 A 8.04 4.18 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 28 G 7.79 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 0.00 0.00 0.00 29 L 6.97 4.81 0.00 1.38 1.36 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.84 4.93 0.00 2.88 3.15 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 31 Q 8.83 4.91 0.00 1.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.12 1.92 0.00 32 T 8.41 4.86 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 33 F 8.92 4.99 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.34 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.86 4.79 0.00 2.53 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.15 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.18 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 38 C 6.97 4.99 0.00 3.07 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 39 R 8.85 3.89 0.00 2.27 2.27 0.00 3.47 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 40 A 7.50 4.13 1.06 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 0.00 0.00 0.00 0.00 0.00 41 K 8.42 4.32 0.00 1.75 1.71 0.00 1.55 0.00 0.00 1.54 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.10 7.81 42 R 8.03 3.72 0.00 0.90 0.66 0.00 2.29 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.25 0.00 43 N 7.84 4.81 0.00 3.18 2.88 0.00 0.00 6.73 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 44 N 6.33 4.93 0.00 2.69 2.60 0.00 0.00 7.08 7.02 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 45 F 9.37 5.03 0.00 3.33 2.97 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 0.00 0.00 0.00 46 K 8.88 4.48 0.00 1.83 1.94 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 47 S 7.68 4.56 0.00 4.01 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 48 A 7.42 3.31 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 3.80 0.00 1.98 1.93 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 2.34 2.38 0.00 50 D 8.16 4.27 0.00 2.91 2.88 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 51 C 7.67 2.45 0.00 2.84 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 L 7.93 3.78 0.00 1.64 1.60 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.69 3.76 0.00 1.85 2.01 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 54 T 7.52 4.17 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 1.62 0.00 0.00 55 C 8.27 4.54 0.00 2.79 2.44 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 0.00 56 G 7.45 3.71 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 0.00 0.00 0.00 57 G 8.84 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.19 4.03 1.06 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 0.00 0.00 0.00 0.00 0.00