NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *21 N 4.6835 8.4201 117.7897 51.8138 39.7092 174.8218 22 A 4.2708 8.1602 123.3544 51.9174 19.1728 176.4460 23 T 3.8329 9.9960 121.5508 65.6920 69.5781 173.3114 24 F 5.2276 7.7959 117.5841 55.4457 42.3088 174.2856 25 G 4.3344 9.0992 110.8524 43.2915 0.0000 172.5663 26 M 4.4178 8.5325 119.0698 57.1404 32.1908 177.4566 27 G 4.0206 9.0637 112.5075 45.0967 0.0000 173.5835 28 D 4.4567 7.8865 120.2472 54.5778 42.2146 175.5004 29 R 4.7263 8.4432 122.8029 55.7018 31.5737 175.4682 30 V 5.0007 8.8606 119.2739 59.6442 36.4185 174.5196 31 R 5.1621 8.8205 117.8389 54.2419 33.3585 174.5212 32 K 4.3978 8.5545 119.9933 56.5886 31.9963 177.9981 33 K 4.2901 8.9228 124.8908 59.2619 32.2427 177.1227 34 S 4.5511 7.7456 110.2824 57.7195 66.4815 175.8018 35 G 3.6278 8.5256 108.2629 45.8854 0.0000 174.1689 36 A 4.0141 8.6951 126.5424 52.5064 18.8883 176.9088 37 A 4.5503 8.3949 123.8953 51.5283 20.2192 176.5891 38 W 4.7840 8.4200 126.7496 56.8790 34.4147 172.9590 39 Q 4.8231 6.9817 126.1681 54.0223 32.0746 174.2908 40 G 4.5808 7.6529 111.5720 46.2328 0.0000 170.4285 41 Q 4.9921 7.7751 119.3028 54.3008 31.2159 175.5769 42 I 4.2849 8.6895 124.8982 62.0351 37.8881 176.7220 43 V 4.5159 9.2115 118.8291 60.2617 33.7745 175.5319 44 G 4.1949 7.7433 106.5831 46.7722 0.0000 171.6188 45 W 5.8130 8.8729 128.0895 56.6034 33.8841 173.5899 46 Y 4.0935 7.5231 121.7768 55.9364 41.5916 173.2753 47 C 4.5729 7.6392 119.9674 58.2720 34.2485 172.7155 48 T 4.6875 8.6999 115.9980 59.6748 72.0106 174.8738 49 N 4.3271 8.8146 118.7254 56.2391 38.8219 176.8122 50 L 4.1302 7.9556 119.0320 57.6294 42.6513 176.8777 51 T 4.5247 7.9078 115.8282 60.7239 68.5313 172.4767 52 P 4.4334 0.0000 0.0000 63.7878 32.2765 176.9259 53 E 4.2755 7.8377 119.4736 54.4321 32.1341 174.0666 54 G 3.7054 7.9355 113.7071 44.1388 0.0000 169.6481 55 Y 5.4632 9.1732 117.1545 56.0066 42.6857 174.3017 56 A 5.1033 9.0347 124.2555 50.6869 21.4836 176.2614 57 V 4.9531 9.0115 122.3107 61.0920 34.9320 173.8746 58 E 5.0583 9.2475 129.8764 55.1282 30.8630 175.4222 59 S 4.1248 8.9179 123.0474 58.4523 62.3391 174.2348 60 E 4.0118 8.6959 124.5303 58.1028 29.9624 177.6614 61 A 4.1683 7.5248 121.5239 53.7191 19.7836 176.9568 62 H 4.9315 7.8572 112.8752 52.5151 28.9174 170.5170 63 P 4.4349 0.0000 0.0000 64.2491 31.9881 177.1621 64 G 4.0181 9.6287 111.6940 45.1505 0.0000 173.4391 65 S 4.7004 8.0755 117.0585 57.7261 64.2814 173.4202 66 V 5.1714 8.5562 124.2453 61.3406 33.8910 174.5298 67 Q 4.4054 9.1147 125.4716 53.8725 33.1633 173.8341 68 I 4.8896 7.5040 114.7151 59.5658 39.8247 174.3236 69 Y 5.0677 9.0646 121.2439 55.7967 42.9540 173.1721 70 P 4.7635 0.0000 0.0000 62.2973 32.5186 177.9687 71 V 3.9687 8.7544 121.1087 65.0972 31.2470 178.5853 72 A 4.0634 8.0779 121.4626 54.3239 18.4619 177.8058 73 A 4.3246 8.2560 117.9387 53.1516 19.0758 176.6768 74 L 5.4822 7.9224 115.4467 52.7066 45.0563 175.9923 75 E 4.9312 9.0992 119.0652 54.6417 33.2630 174.5968 76 R 4.6166 8.8273 122.6635 56.1720 31.0665 175.1264 77 I 4.7416 8.3665 118.2895 58.6984 41.3036 175.1669 78 N 4.4993 8.5996 118.6151 53.7029 38.4608 175.3632 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 *21 N 8.42 4.68 0.00 2.48 2.66 0.00 0.00 6.67 6.57 0.00 0.00 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 A 8.16 4.27 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 23 T 10.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 24 F 7.80 5.23 0.00 2.33 2.66 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 25 G 9.10 4.33 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 0.00 26 M 8.53 4.42 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 27 G 9.06 4.02 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 0.00 0.00 0.00 28 D 7.89 4.46 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.73 0.00 1.84 1.90 0.00 3.07 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 30 V 8.86 5.00 1.76 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 -0.15 0.00 0.00 0.78 0.00 0.00 31 R 8.82 5.16 0.00 1.86 2.00 0.00 2.75 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 32 K 8.55 4.40 0.00 1.63 1.68 0.00 1.49 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.12 1.45 7.81 33 K 8.92 4.29 0.00 1.74 1.87 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.69 1.51 7.81 34 S 7.75 4.55 0.00 3.93 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 G 8.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 4.01 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.39 4.55 1.28 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 0.00 0.00 38 W 8.42 4.78 0.00 3.41 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 6.98 4.82 0.00 2.02 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.65 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 40 G 7.65 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.78 4.99 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 42 I 8.69 4.28 2.07 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 1.14 0.00 0.00 43 V 9.21 4.52 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 0.79 0.00 0.00 1.08 0.00 0.00 44 G 7.74 4.19 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 0.00 45 W 8.87 5.81 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.09 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 7.64 4.57 0.00 2.28 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 0.00 0.00 0.00 0.00 48 T 8.70 4.69 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 49 N 8.81 4.33 0.00 2.70 2.91 0.00 0.00 6.84 7.85 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 50 L 7.96 4.13 0.00 1.58 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.91 4.52 4.13 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 0.89 0.00 0.00 52 P 0.00 4.43 0.00 2.15 2.14 0.00 3.25 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 53 E 7.84 4.28 0.00 2.02 1.80 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 2.27 2.37 0.00 54 G 7.94 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 55 Y 9.17 5.46 0.00 3.15 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 56 A 9.03 5.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.01 4.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.22 0.00 0.00 58 E 9.25 5.06 0.00 2.18 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 59 S 8.92 4.12 0.00 2.72 3.67 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 60 E 8.70 4.01 0.00 2.02 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 2.28 2.11 0.00 61 A 7.52 4.17 0.98 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 62 H 7.86 4.93 0.00 3.11 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.43 0.00 2.04 2.01 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 G 9.63 4.02 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 0.00 0.00 0.00 65 S 8.08 4.70 0.00 4.19 4.13 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 66 V 8.56 5.17 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 0.91 0.00 0.00 1.08 0.00 0.00 67 Q 9.11 4.41 0.00 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 5.95 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 68 I 7.50 4.89 1.33 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.19 0.64 0.00 0.00 69 Y 9.06 5.07 0.00 3.01 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 70 P 0.00 4.76 0.00 2.26 1.99 0.00 3.83 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 71 V 8.75 3.97 2.45 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 0.81 0.00 0.00 0.93 0.00 0.00 72 A 8.08 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.26 4.32 1.37 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 0.00 0.00 74 L 7.92 5.48 0.00 1.82 1.52 1.22 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.10 4.93 0.00 2.00 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 0.00 2.34 2.23 0.00 76 R 8.83 4.62 0.00 1.98 1.97 0.00 3.21 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 77 I 8.37 4.74 1.84 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 1.25 0.79 0.88 0.00 0.00 78 N 8.60 4.50 0.00 2.70 2.76 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.