NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.3150 8.2644 123.5828 51.7868 20.6977 176.1525 17 T 4.0893 7.2185 107.2312 60.5632 69.7402 170.7066 18 D 4.9607 8.1010 126.8831 54.0417 43.9255 174.5373 19 R 4.8488 8.2156 114.4876 55.1031 32.3387 174.2050 20 L 4.8117 8.5110 122.8113 53.6172 45.2039 175.1559 21 K 4.9628 8.3717 124.1486 55.1367 35.2521 174.5963 22 L 4.6670 9.0632 130.4437 53.5041 43.9918 174.7975 23 I 4.8378 8.4099 127.0437 59.4949 39.4303 174.8458 24 L 4.7327 8.5992 126.9195 53.0136 43.4922 175.4819 25 A 4.8590 8.1964 125.3026 50.4271 22.1077 175.2341 26 K 4.3039 7.7549 116.7471 57.1037 36.4350 173.9290 27 E 4.5260 8.3309 118.7785 55.1162 30.7856 177.0762 28 R 4.1725 8.4442 121.3078 57.9649 30.3208 177.4170 29 T 4.1117 7.6376 113.8472 66.9150 68.7841 175.6268 30 L 4.2177 7.6050 119.2633 54.4750 42.2914 176.4106 31 N 4.6514 8.2133 119.1972 51.6535 39.2170 172.9261 32 L 4.0224 7.7883 123.6266 52.3101 40.7448 175.8724 33 P 4.4339 0.0000 0.0000 63.7725 30.7906 177.2119 34 Y 4.7091 6.6752 113.1066 57.9653 38.6479 175.4214 35 M 3.4230 7.4750 120.6990 59.5385 32.5618 175.7060 36 E 4.3639 7.7606 130.4044 56.5755 29.0884 176.1649 37 E 5.9540 8.1473 135.0000 57.5776 29.6284 178.7411 38 M 4.1712 8.1988 119.1757 58.0032 32.6039 178.0295 39 R 3.8186 8.0227 117.5471 58.5389 30.0588 176.1556 40 K 4.0778 7.4172 117.0747 56.5596 32.6393 178.6350 41 E 3.7192 8.5136 120.3100 59.8356 29.9690 179.6721 42 I 3.7836 7.5400 119.1805 64.4277 37.1205 178.4716 43 I 3.6546 8.5331 121.0523 64.5001 36.4890 178.0425 44 A 3.9958 7.6235 120.2768 55.6285 17.8285 179.7405 45 V 3.8528 7.6422 115.2061 65.3219 31.8805 177.6015 46 I 4.2350 8.2874 119.7082 63.4128 37.6212 177.7562 47 Q 4.0187 7.9669 120.2357 58.9141 28.8946 177.6817 48 K 4.1750 7.5706 115.7998 58.4976 32.7774 177.3264 49 Y 4.7015 7.7740 116.2499 58.1097 38.8095 176.5143 50 T 4.4350 8.5544 109.6656 60.3998 69.7368 175.4142 51 K 4.0680 8.3057 119.7880 57.1524 30.2262 175.1152 52 S 4.3666 7.4568 113.3617 58.0113 62.8010 174.1798 53 S 4.2956 8.6892 122.3229 60.2336 63.6412 173.6476 54 D 4.7707 7.9145 120.8730 53.0393 41.6712 175.9824 55 I 4.9493 8.2027 125.8074 60.0979 41.6816 173.9252 56 H 4.8817 9.1987 126.1107 54.3792 32.3295 171.8885 57 F 6.1733 8.7317 121.0725 54.5148 40.1129 174.8271 58 K 4.7571 8.5544 119.1040 56.4957 35.8275 174.3266 59 T 4.9463 8.4630 117.3663 62.6295 70.2705 173.6287 60 L 4.3745 8.7283 122.3447 56.1531 44.2007 176.1481 *67 E 4.4355 7.7253 118.3869 56.6005 31.4252 174.6846 68 T 4.7972 8.4696 122.4641 62.3485 72.1834 173.2206 69 I 4.1458 8.2553 128.0755 61.3139 38.8948 175.6462 70 E 4.5732 9.1977 124.5018 54.9070 33.4443 174.7660 71 V 4.8496 8.9012 126.2027 61.3242 33.9799 174.1296 72 E 4.9597 9.1190 129.0591 55.0653 31.3359 175.8044 73 I 4.8288 8.7944 126.1507 60.2914 39.8782 175.1585 74 I 4.8695 7.9954 124.3398 59.9312 40.4798 175.4919 75 L 4.5353 8.1485 127.8609 53.4132 43.1354 175.5043 76 P 4.4848 0.0000 0.0000 62.9988 31.4517 174.9200 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 16 A 8.26 4.32 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 17 T 7.22 4.09 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 18 D 8.10 4.96 0.00 2.65 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 19 R 8.22 4.85 0.00 1.99 1.85 0.00 3.01 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 20 L 8.51 4.81 0.00 1.84 1.56 0.94 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.37 4.96 0.00 1.76 1.63 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.45 7.81 22 L 9.06 4.67 0.00 1.75 1.52 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.41 4.84 1.87 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 1.35 0.78 0.95 0.00 0.00 24 L 8.60 4.73 0.00 1.58 1.55 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.20 4.86 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.75 4.30 0.00 1.83 1.77 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.32 7.81 27 E 8.33 4.53 0.00 2.04 1.88 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 2.33 2.27 0.00 28 R 8.44 4.17 0.00 1.76 1.93 0.00 3.22 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 29 T 7.64 4.11 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 30 L 7.60 4.22 0.00 1.59 1.57 0.95 0.93 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 31 N 8.21 4.65 0.00 2.60 2.67 0.00 0.00 7.04 7.78 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 32 L 7.79 4.02 0.00 1.30 0.51 0.65 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.43 0.00 2.25 2.18 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.07 0.00 34 Y 6.68 4.71 0.00 3.09 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 35 M 7.48 3.42 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 36 E 7.76 4.36 0.00 1.91 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 2.25 2.20 0.00 37 E 8.15 5.95 0.00 2.14 2.21 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 2.20 2.06 0.00 38 M 8.20 4.17 0.00 2.05 2.43 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 2.81 2.55 0.00 39 R 8.02 3.82 0.00 1.70 1.91 0.00 3.16 0.00 0.00 2.58 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 40 K 7.42 4.08 0.00 1.90 1.62 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 41 E 8.51 3.72 0.00 2.10 2.01 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 2.35 2.42 0.00 42 I 7.54 3.78 2.13 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.91 0.00 0.00 43 I 8.53 3.65 1.95 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 1.43 0.94 0.98 0.00 0.00 44 A 7.62 4.00 1.38 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 0.00 0.00 45 V 7.64 3.85 2.34 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 1.00 0.00 0.00 1.03 0.00 0.00 46 I 8.29 4.24 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.96 0.00 0.00 47 Q 7.97 4.02 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 48 K 7.57 4.17 0.00 1.74 1.79 0.00 1.18 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 0.81 7.81 49 Y 7.77 4.70 0.00 3.10 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 50 T 8.55 4.43 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 1.32 0.00 0.00 51 K 8.31 4.07 0.00 1.87 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 52 S 7.46 4.37 0.00 3.91 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 53 S 8.69 4.30 0.00 4.02 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 54 D 7.91 4.77 0.00 2.71 2.63 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 55 I 8.20 4.95 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 1.08 0.00 0.00 56 H 9.20 4.88 0.00 3.17 3.11 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.73 6.17 0.00 2.84 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 58 K 8.55 4.76 0.00 1.85 1.99 0.00 1.34 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.46 7.81 59 T 8.46 4.95 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 60 L 8.73 4.37 0.00 1.89 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 *67 E 7.73 4.44 0.00 2.06 1.83 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 2.26 2.34 0.00 68 T 8.47 4.80 4.24 0.00 0.00 0.00 0.00 0.00 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 69 I 8.26 4.15 1.84 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 1.20 0.96 0.85 0.00 0.00 70 E 9.20 4.57 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 71 V 8.90 4.85 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 1.18 0.00 0.00 0.93 0.00 0.00 72 E 9.12 4.96 0.00 1.98 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 2.25 2.27 0.00 73 I 8.79 4.83 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.94 0.00 0.00 74 I 8.00 4.87 1.89 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 1.24 0.59 0.92 0.00 0.00 75 L 8.15 4.54 0.00 1.56 1.61 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.48 0.00 2.15 1.99 0.00 3.90 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 1.89 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.