NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9416 8.3393 109.7488 44.9345 0.0000 174.2242 5 I 4.1165 7.0806 113.5071 58.2365 37.3609 172.5193 6 H 4.8861 8.5088 125.7417 55.2353 33.5693 172.2016 7 P 4.5382 0.0000 0.0000 62.4526 31.5151 175.2747 8 K 3.9087 7.1020 123.4430 52.0890 31.6619 175.7654 9 L 4.1791 8.0473 118.8286 53.9099 42.7932 173.3550 10 V 4.4602 7.3474 120.7873 60.6558 34.7956 169.0948 11 P 4.4538 0.0000 0.0000 62.7177 31.8821 175.2094 12 A 4.6844 9.4546 124.1114 50.4428 23.2832 175.0935 13 R 4.6448 7.8375 115.8372 53.4968 29.3642 174.6156 14 I 3.6433 8.2983 127.9403 62.6543 38.5451 175.0013 15 I 4.4415 8.3045 127.8380 59.1511 37.7482 175.0574 16 C 4.3284 8.3453 126.5097 59.4427 31.9954 173.7468 17 G 3.9819 8.4766 109.1637 45.6546 0.0000 173.7636 18 C 4.5033 7.8283 113.9542 58.0867 31.3678 174.3906 19 G 3.6570 8.2175 115.3019 44.3004 0.0000 173.2143 20 N 3.7136 6.5825 115.1820 49.1982 39.1493 172.9757 21 V 4.8609 7.8138 125.2981 59.9365 31.6596 174.2048 22 I 3.8987 7.9430 126.1806 60.8359 38.7269 174.4040 23 E 4.8571 9.0402 126.5320 53.2139 30.4431 174.9514 24 T 4.8648 8.1061 122.4128 61.1538 72.5933 172.3572 25 Y 5.1152 9.6437 118.2107 55.7379 41.7074 175.4670 26 S 4.8667 8.1622 115.9087 58.6515 66.8881 175.9114 27 T 4.2255 7.7571 113.5299 62.5107 68.0115 170.7676 28 K 3.7410 8.7339 134.2870 55.2880 32.5738 173.6708 29 P 4.1908 0.0000 0.0000 65.1938 31.5386 176.0031 30 E 4.1977 7.8795 118.2701 55.5629 28.7961 176.0273 31 I 3.7716 7.7034 126.4172 58.4914 38.8277 175.9895 32 Y 4.6262 6.1987 130.7150 55.5781 35.4259 175.7083 33 V 3.6990 7.3711 120.0678 64.6316 32.5131 176.5351 34 E 4.3423 8.7963 124.1126 58.0221 30.3132 176.7059 35 V 4.4650 7.0226 114.3855 62.3956 34.8536 172.8270 36 C 4.5248 7.9192 117.4408 58.1961 32.4669 172.7077 37 S 4.1611 8.3797 115.5798 59.6191 62.9311 174.3678 38 K 3.9450 8.7556 118.5523 57.5092 30.4386 175.0221 39 C 4.9762 7.3622 112.1573 58.7215 28.9251 173.5736 40 H 4.8866 7.9462 115.4553 54.9040 32.4637 170.7848 41 P 4.3500 0.0000 0.0000 61.5401 31.8281 177.1477 42 F 4.8773 8.7130 123.6001 55.3051 37.5583 176.6869 43 Y 4.5688 7.4257 126.7387 57.4303 38.2523 176.0053 44 T 3.8541 7.6597 113.5633 60.5330 69.9111 171.9514 45 G 3.9701 7.8602 112.9192 45.7239 0.0000 172.2091 46 Q 4.5217 8.2118 118.9475 54.9642 32.4490 172.7778 47 Q 4.7700 8.2010 120.4462 55.0144 31.0016 176.4567 *48 R 4.1254 8.5066 115.6631 57.0934 30.1402 171.1300 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 4 G 8.34 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 0.00 0.00 0.00 5 I 7.08 4.12 1.82 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 1.40 0.38 0.87 0.00 0.00 6 H 8.51 4.89 0.00 3.21 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.54 0.00 2.04 2.09 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 8 K 7.10 3.91 0.00 1.90 1.94 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.42 7.81 9 L 8.05 4.18 0.00 1.71 1.98 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.35 4.46 2.10 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 0.70 0.00 0.00 0.91 0.00 0.00 11 P 0.00 4.45 0.00 1.74 1.52 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 12 A 9.45 4.68 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 13 R 7.84 4.64 0.00 1.86 1.85 0.00 3.04 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 1.51 0.00 14 I 8.30 3.64 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.18 0.88 0.00 0.00 15 I 8.30 4.44 1.87 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 1.22 1.23 0.92 0.00 0.00 16 C 8.35 4.33 0.00 2.96 3.03 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 17 G 8.48 3.98 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 0.00 0.00 0.00 18 C 7.83 4.50 0.00 3.04 2.99 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 19 G 8.22 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.58 3.71 0.00 2.81 2.80 0.00 0.00 6.32 7.71 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 21 V 7.81 4.86 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 1.30 0.00 0.00 0.98 0.00 0.00 22 I 7.94 3.90 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 1.23 1.12 0.92 0.00 0.00 23 E 9.04 4.86 0.00 1.88 1.78 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 2.03 2.14 0.00 24 T 8.11 4.86 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 Y 9.64 5.12 0.00 2.72 2.99 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 26 S 8.16 4.87 0.00 3.98 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 27 T 7.76 4.23 4.25 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 1.22 0.00 0.00 28 K 8.73 3.74 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.42 7.81 29 P 0.00 4.19 0.00 2.17 2.02 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 30 E 7.88 4.20 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 31 I 7.70 3.77 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.37 0.84 0.00 0.00 32 Y 6.20 4.63 0.00 2.93 3.03 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 33 V 7.37 3.70 2.20 0.00 0.00 0.00 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 0.91 0.00 0.00 34 E 8.80 4.34 0.00 1.98 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 2.26 2.34 0.00 35 V 7.02 4.47 2.03 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 0.67 0.00 0.00 0.82 0.00 0.00 36 C 7.92 4.52 0.00 3.05 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 37 S 8.38 4.16 0.00 3.91 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 38 K 8.76 3.95 0.00 2.01 1.90 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.51 7.81 39 C 7.36 4.98 0.00 3.10 2.73 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 40 H 7.95 4.89 0.00 3.12 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.35 0.00 2.01 1.75 0.00 3.71 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 1.92 1.92 0.00 42 F 8.71 4.88 0.00 3.18 3.07 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 43 Y 7.43 4.57 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 3.85 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 0.38 0.00 0.00 45 G 7.86 3.97 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 0.00 0.00 0.00 46 Q 8.21 4.52 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 47 Q 8.20 4.77 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.42 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 *48 R 8.51 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.