NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 Q 4.2424 8.3449 118.8268 56.3909 29.4884 173.0944 14 Q 4.4226 8.4243 117.3784 53.0656 31.1264 172.4126 15 Y 4.8667 8.4806 117.3317 55.4416 41.2994 175.5506 16 L 4.0372 8.7312 123.3501 57.3485 42.1207 177.3165 17 V 4.8550 7.3992 107.9306 59.0011 35.6695 175.0304 18 E 4.0268 8.5915 120.9107 56.5513 29.8526 177.8597 19 S 4.2948 8.9414 120.1330 60.8456 63.2093 174.6904 20 G 4.4172 7.8498 106.0295 43.2539 0.0000 171.7894 21 N 5.2315 8.3080 116.7408 50.7952 43.1292 174.5531 22 Y 3.1300 8.0856 127.7647 60.5711 38.9677 177.9737 23 E 4.0543 8.3484 119.6892 59.4495 29.7432 178.6652 24 L 4.0011 7.6593 118.0888 57.6859 41.6290 179.5561 25 I 3.6309 7.2053 120.1662 63.9446 36.8316 178.3738 26 S 3.8342 7.8586 114.0665 61.5542 62.2043 176.0033 27 N 4.3281 8.1752 119.1205 56.2698 38.2962 177.1012 28 E 3.9027 8.1288 120.8902 59.0208 29.8111 178.6048 29 L 3.8730 7.9138 120.5345 57.9239 42.0922 179.1462 30 K 3.9840 7.8728 118.2362 59.2558 31.9652 179.2385 31 A 4.0237 7.7962 121.2606 55.2210 18.3224 179.9620 32 R 3.9439 7.9398 116.4500 59.1181 30.0958 179.3003 33 L 4.0309 7.8210 118.8062 57.5959 41.1073 179.1519 34 L 4.0650 8.1468 120.4151 58.2135 41.7891 178.8492 35 Q 4.0655 8.0375 119.0349 58.6437 29.1662 177.0140 36 E 4.3204 8.2763 116.2649 56.5880 30.2714 177.5404 37 G 3.9795 7.8240 108.1533 45.8088 0.0000 175.2734 38 W 4.0548 8.3742 130.7856 60.2856 30.4518 178.1400 39 V 3.3381 8.2250 117.8288 66.1106 30.9753 177.3973 40 D 4.2663 8.0458 117.1723 57.0692 41.0775 178.1466 41 K 3.8600 7.6182 119.4544 59.2335 32.1070 179.4264 42 V 3.2785 6.9365 118.6007 65.6194 31.3976 178.2311 43 K 3.8758 7.4986 118.0978 59.7787 32.0080 179.2159 44 D 4.3764 7.8040 118.5928 56.9473 40.5563 178.5421 45 L 3.9943 7.9030 121.0331 57.9764 41.7703 179.0807 46 T 3.9178 7.4148 115.0300 66.1166 68.5915 176.6544 47 K 4.0628 7.8880 120.3432 59.6709 32.2617 179.2801 48 S 4.0715 8.0613 113.2318 61.3826 62.2629 175.7864 49 E 3.9546 8.0068 121.8132 59.4476 29.0870 178.7289 50 M 4.1156 7.6487 118.0847 57.9215 32.0131 178.3052 51 N 4.4682 7.9565 115.6967 56.2786 39.0548 176.6892 52 I 3.8081 7.2746 119.4917 63.7914 37.7188 176.6411 53 N 4.5225 7.5932 115.5067 53.5352 38.8607 174.9925 54 E 4.3846 8.5526 119.8672 57.0939 29.9437 176.6880 *56 T 4.2053 7.6381 108.1517 61.1826 70.4752 173.5111 57 N 4.7214 7.9439 119.9456 53.2768 41.0780 174.4909 58 F 4.0891 8.8195 129.6400 62.0654 39.8248 177.6641 59 T 3.5842 8.1578 114.6355 66.5211 67.9420 176.6091 60 Q 4.1022 7.9537 119.6286 58.7291 28.7965 178.3909 61 I 3.7665 7.4647 120.8625 63.9245 37.1532 178.0786 62 L 3.8752 7.4687 121.3722 57.5709 41.5489 179.1353 63 S 4.1119 7.3460 112.9684 61.3871 63.0173 176.2759 64 T 4.0483 7.0531 109.4638 64.4669 69.1544 176.8399 65 V 3.6656 7.7045 121.3943 65.2479 31.5326 177.6620 66 E 3.8812 8.2341 119.1426 58.8742 29.3788 176.8085 67 P 4.2796 0.0000 0.0000 65.7087 31.3458 178.7333 68 K 3.9906 7.9849 116.3393 59.2646 31.6263 178.9023 69 A 3.9357 7.8974 121.0419 55.4638 18.0955 179.6872 70 L 3.9107 7.9202 115.8215 58.1273 41.7175 179.4144 71 E 4.1800 7.7760 117.8343 59.6207 29.4584 178.9859 72 M 4.3305 8.0237 118.1093 56.9215 32.2763 177.5013 73 V 3.6717 7.1270 118.8540 62.8955 32.3331 176.3903 74 S 4.3197 8.5675 122.7427 58.4753 64.6499 175.3103 75 D 4.3582 8.6773 124.3514 57.5390 40.6477 178.9948 76 S 4.2559 8.0013 113.2543 61.7849 62.3794 176.2339 77 T 3.8552 7.8046 118.0482 66.5297 68.1418 176.6839 78 R 3.8119 7.7493 120.2460 59.3030 29.9116 178.4793 79 E 4.0084 8.0112 118.4180 59.3790 29.5435 179.4601 80 T 3.8654 7.7067 115.4765 66.5229 68.5790 177.2150 81 V 3.5910 7.8891 120.2367 65.8476 31.5907 177.7855 82 L 3.8836 7.8075 118.7617 57.9356 41.5538 179.2406 83 K 3.8028 7.7114 119.3148 60.0631 32.0155 178.5891 84 Q 4.1136 7.6625 116.3645 58.4459 28.5819 178.6522 85 I 3.8149 7.6161 121.5752 64.2627 37.1811 178.5196 86 R 4.0350 8.2219 116.9771 58.9562 29.3872 178.8277 87 E 3.9199 8.3271 119.4720 59.2835 29.3123 178.7643 88 F 4.1426 8.1030 119.2385 61.5839 39.2918 176.9750 89 L 3.9630 8.3669 118.3094 57.3587 41.1827 178.7880 90 E 4.2252 7.9919 117.2120 58.0139 29.7056 178.2417 91 E 4.0506 7.9357 118.0363 58.2084 29.4821 176.8667 92 I 3.9416 7.0014 123.1171 61.2315 37.3669 175.3126 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 13 Q 8.34 4.24 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 14 Q 8.42 4.42 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 15 Y 8.48 4.87 0.00 3.19 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.73 4.04 0.00 1.68 1.77 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.40 4.85 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 0.81 0.00 0.00 0.99 0.00 0.00 18 E 8.59 4.03 0.00 1.93 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 1.81 2.13 0.00 19 S 8.94 4.29 0.00 3.99 3.95 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 0.00 0.00 0.00 20 G 7.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 5.23 0.00 2.81 2.62 0.00 0.00 6.55 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 22 Y 8.09 3.13 0.00 2.31 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.05 0.00 2.18 2.26 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 2.40 2.48 0.00 24 L 7.66 4.00 0.00 1.96 1.66 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.21 3.63 1.54 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.63 0.00 0.00 26 S 7.86 3.83 0.00 3.71 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 27 N 8.18 4.33 0.00 2.75 2.83 0.00 0.00 6.77 7.26 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 28 E 8.13 3.90 0.00 2.08 2.05 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 2.23 2.26 0.00 29 L 7.91 3.87 0.00 1.73 1.71 0.68 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.87 3.98 0.00 1.93 1.86 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.68 7.81 31 A 7.80 4.02 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 32 R 7.94 3.94 0.00 1.82 1.93 0.00 3.06 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 33 L 7.82 4.03 0.00 1.87 1.93 -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.15 4.07 0.00 1.86 1.95 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.04 4.07 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 36 E 8.28 4.32 0.00 2.22 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 2.57 2.56 0.00 37 G 7.82 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 38 W 8.37 4.05 0.00 3.61 3.31 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 39 V 8.23 3.34 2.23 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 1.04 0.00 0.00 1.43 0.00 0.00 40 D 8.05 4.27 0.00 2.74 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 41 K 7.62 3.86 0.00 1.68 1.65 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.62 7.81 42 V 6.94 3.28 1.71 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 0.83 0.00 0.00 -0.23 0.00 0.00 43 K 7.50 3.88 0.00 1.75 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.62 7.81 44 D 7.80 4.38 0.00 2.62 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 45 L 7.90 3.99 0.00 1.79 1.71 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.41 3.92 4.36 0.00 0.00 0.00 0.00 0.00 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 47 K 7.89 4.06 0.00 1.98 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 48 S 8.06 4.07 0.00 3.87 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 49 E 8.01 3.95 0.00 2.27 1.99 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 2.25 2.36 0.00 50 M 7.65 4.12 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 51 N 7.96 4.47 0.00 2.83 2.86 0.00 0.00 6.89 7.45 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 52 I 7.27 3.81 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.90 0.00 0.00 53 N 7.59 4.52 0.00 2.72 2.74 0.00 0.00 7.08 7.28 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 54 E 8.55 4.38 0.00 1.92 1.96 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 2.23 2.33 0.00 *56 T 7.64 4.21 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 1.26 0.00 0.00 57 N 7.94 4.72 0.00 2.86 2.75 0.00 0.00 6.71 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 58 F 8.82 4.09 0.00 3.20 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 59 T 8.16 3.58 4.30 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 1.24 0.00 0.00 60 Q 7.95 4.10 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 61 I 7.46 3.77 1.85 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 1.62 0.78 0.83 0.00 0.00 62 L 7.47 3.88 0.00 1.16 1.47 0.88 0.82 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 63 S 7.35 4.11 0.00 4.09 3.93 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 64 T 7.05 4.05 4.30 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 1.18 0.00 0.00 65 V 7.70 3.67 2.06 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 0.90 0.00 0.00 0.91 0.00 0.00 66 E 8.23 3.88 0.00 2.13 1.96 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 2.32 2.38 0.00 67 P 0.00 4.28 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 68 K 7.98 3.99 0.00 1.98 1.82 0.00 1.56 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.55 7.81 69 A 7.90 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.91 0.00 1.83 1.81 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.78 4.18 0.00 2.17 2.05 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 2.53 2.51 0.00 72 M 8.02 4.33 0.00 2.14 2.41 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.56 0.00 73 V 7.13 3.67 1.99 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 0.50 0.00 0.00 0.50 0.00 0.00 74 S 8.57 4.32 0.00 4.04 4.06 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 75 D 8.68 4.36 0.00 2.78 2.75 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 0.00 0.00 0.00 76 S 8.00 4.26 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.80 3.86 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 78 R 7.75 3.81 0.00 1.83 2.07 0.00 3.07 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 79 E 8.01 4.01 0.00 2.16 1.96 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 2.31 2.51 0.00 80 T 7.71 3.87 4.31 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 1.17 0.00 0.00 81 V 7.89 3.59 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 0.91 0.00 0.00 0.81 0.00 0.00 82 L 7.81 3.88 0.00 1.83 1.70 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.71 3.80 0.00 1.88 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.50 7.81 84 Q 7.66 4.11 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 85 I 7.62 3.81 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.95 0.00 0.00 86 R 8.22 4.03 0.00 2.06 2.20 0.00 2.78 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 87 E 8.33 3.92 0.00 2.16 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 0.00 2.34 2.48 0.00 88 F 8.10 4.14 0.00 3.03 3.35 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 89 L 8.37 3.96 0.00 1.98 1.70 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.99 4.23 0.00 2.04 1.98 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 2.32 2.54 0.00 91 E 7.94 4.05 0.00 1.79 1.91 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 2.46 2.44 0.00 92 I 7.00 3.94 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.25 0.82 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.