NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.7337 8.4444 117.3791 54.0256 29.7590 172.7458 1 M 4.0204 8.5652 123.2148 54.0113 32.9691 173.9686 2 D 4.5426 8.5375 125.1834 53.9908 42.8128 176.7692 3 I 4.1410 8.4667 119.4943 62.8950 37.7974 176.2520 4 N 4.8394 8.7785 117.3687 53.3657 39.1275 175.5146 5 N 4.8066 7.8765 119.9516 51.8282 37.6726 175.1306 6 K 4.1416 8.2837 122.1488 59.1435 32.6853 178.3299 7 A 4.0621 8.0431 120.5183 54.9688 18.3864 179.5476 8 R 4.0867 8.0689 117.5501 59.6638 30.2979 178.7938 9 I 3.6265 7.8548 119.7712 64.3400 36.7876 177.6828 10 H 3.4033 7.7992 118.5118 58.8762 29.9128 176.6411 11 W 4.3269 8.0695 129.2436 60.5542 30.3515 177.7946 12 A 3.4008 7.4360 118.9465 54.6351 17.7603 178.9087 13 C 4.3308 7.3686 114.0519 60.7888 28.2689 173.7769 14 R 3.9442 7.2993 121.1363 56.0501 29.2258 175.7391 15 R 4.5190 9.2344 125.5464 53.9686 32.5487 176.9290 16 G 3.6367 8.6263 107.6776 47.7796 0.0000 174.3617 17 M 4.6087 7.5784 118.6694 52.8685 35.7356 175.5560 18 R 3.8696 8.5357 126.3216 60.0660 29.9197 178.5996 19 E 4.0716 8.0743 117.4050 59.3302 29.4408 179.3086 20 L 4.1684 7.8397 118.7176 57.9076 41.3131 179.0369 21 D 4.4572 8.3299 118.9394 57.4041 40.5098 178.8822 22 I 3.8202 7.8472 119.5838 63.7593 37.0725 177.9208 23 S 4.4915 7.6597 112.5227 60.9235 62.6018 176.2292 24 I 4.0806 8.1951 122.7266 64.5669 37.0250 178.4124 25 M 4.2597 7.8763 118.7047 58.1387 31.8828 177.1724 26 P 4.4097 0.0000 0.0000 65.2636 31.4711 178.3666 27 F 4.1114 8.2060 119.6953 61.2392 39.4613 176.8474 28 F 3.9101 8.7707 120.2786 61.5321 39.0317 176.9734 29 E 3.8559 8.4016 116.6720 59.0273 29.3325 178.1827 30 H 4.5993 8.0041 113.7060 55.8207 30.0696 175.3797 31 E 4.3019 7.7584 118.3772 56.0321 31.5631 177.3837 32 Y 3.6723 7.2509 119.8968 60.4941 38.7387 178.0264 33 D 4.3578 7.7760 117.9476 56.6680 40.9825 177.2832 34 S 4.2743 7.5314 112.2513 59.1215 63.6325 174.5540 35 L 4.3602 7.2127 121.9096 53.9442 42.2488 177.3713 36 S 4.3687 9.0197 117.8312 58.0371 65.1106 175.2840 37 D 4.3471 8.5072 121.7068 57.6581 40.5042 178.8640 38 D 4.3889 8.0176 118.8904 57.4190 40.8197 178.5161 39 E 4.0521 8.2344 119.1440 59.2301 29.4381 179.4563 40 K 4.0784 8.3967 118.9633 59.6728 32.1615 179.5161 41 R 4.0555 8.2406 118.2252 59.3943 29.9032 179.2265 42 I 3.7728 7.9562 119.5859 64.2610 37.1056 178.1122 43 F 4.2293 8.7502 121.8707 61.5959 39.0324 177.2425 44 I 3.6595 7.9949 118.0829 64.3729 37.1901 178.0769 45 R 4.2600 8.1001 120.9194 58.7567 29.9104 178.2262 46 L 3.9973 8.1673 120.5589 58.2223 41.8477 178.9772 47 L 3.8994 7.4062 117.5125 57.1052 41.6853 178.5452 48 E 4.1357 7.9415 117.7312 56.9446 29.5083 176.6513 49 C 4.4755 7.1727 116.7874 59.1881 29.1906 173.7216 50 D 4.5297 8.1633 121.1152 53.8978 42.4959 177.4917 51 D 4.2734 8.4569 122.4059 57.2318 40.8850 177.4375 52 P 4.2212 0.0000 0.0000 65.5834 31.2150 178.4046 53 D 3.5712 7.6054 117.0681 56.9867 40.5951 178.5066 54 L 3.8048 7.4107 119.3693 57.6749 41.6239 179.4885 55 F 4.1404 8.3937 120.7594 61.3343 39.2977 176.6973 56 N 4.1184 8.0672 116.1764 56.3115 38.3478 177.4762 57 W 4.3964 8.0165 120.3174 59.8758 28.9971 178.7720 58 L 4.1470 8.2131 117.9900 57.2784 41.0774 178.3730 59 M 4.1901 7.5493 116.4475 54.2333 32.0282 175.7906 60 N 4.2470 7.7072 115.2046 54.6008 36.7934 175.0356 61 H 4.4521 8.2920 120.4180 55.4906 28.7821 177.3216 62 G 3.7947 8.5584 114.6864 45.4511 0.0000 169.9502 63 K 4.1858 8.0732 119.8739 55.1209 34.9279 173.3755 64 P 3.7592 0.0000 0.0000 61.9548 31.6244 176.7555 65 A 3.8871 8.2887 123.2729 54.5383 18.7475 177.6899 66 D 4.5006 7.7200 115.7362 53.2889 41.9997 176.6003 67 A 3.8861 8.5027 129.8246 55.1489 18.4663 178.8947 68 E 3.8697 8.1505 116.7149 59.6234 29.5614 179.3759 69 L 3.9382 7.9296 118.5930 57.5373 41.5679 179.1099 70 E 3.6600 8.1343 119.4533 59.4194 29.5264 178.4504 71 M 3.9455 8.1043 118.3040 58.9670 32.1725 177.9203 72 M 4.0298 8.0996 118.2094 58.5019 32.4612 178.1493 73 V 3.5557 8.0626 118.8550 66.3378 31.6060 178.3082 74 R 3.9540 8.1502 117.6599 58.9258 29.7497 178.8733 75 L 3.9699 8.0503 120.4093 58.1237 42.0459 178.9344 76 I 3.1447 7.7499 119.9522 64.3450 36.9244 178.3307 77 Q 4.0000 8.0251 118.5855 59.2938 28.7117 179.0264 78 T 3.8799 8.0686 116.6268 66.9388 68.6998 176.9544 79 R 4.0393 8.3424 119.9456 59.3831 30.0918 178.9864 80 N 4.4732 8.6757 116.6717 56.2687 38.3158 177.4651 81 R 3.9317 8.0841 119.4611 59.4380 30.2724 178.0594 82 E 4.1722 8.0433 116.6568 58.2431 29.6598 178.1211 83 R 4.3923 7.6967 117.2861 57.3798 30.8737 176.9439 84 G 3.9737 7.7959 105.1827 41.7444 0.0000 171.0199 85 P 4.2076 0.0000 0.0000 62.7313 31.5606 176.1981 86 V 3.8749 8.3503 122.2961 61.7696 31.2078 174.5218 87 A 4.7018 8.3689 130.8265 50.2700 20.7616 176.3434 88 I 4.0149 8.2871 115.1515 61.0280 37.9855 175.7216 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 *0 H 8.44 4.73 0.00 2.95 2.92 0.00 7.18 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 1 M 8.57 4.02 0.00 2.10 2.03 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 2.66 0.00 2 D 8.54 4.54 0.00 2.78 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 3 I 8.47 4.14 2.06 0.00 0.00 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 1.51 1.22 1.05 0.00 0.00 4 N 8.78 4.84 0.00 2.91 2.95 0.00 0.00 6.83 7.94 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 5 N 7.88 4.81 0.00 2.81 2.78 0.00 0.00 7.16 6.18 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 6 K 8.28 4.14 0.00 1.95 2.04 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.68 1.68 7.81 7 A 8.04 4.06 1.36 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 0.00 0.00 0.00 8 R 8.07 4.09 0.00 2.06 2.16 0.00 3.18 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 9 I 7.85 3.63 1.72 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 1.46 1.10 0.77 0.00 0.00 10 H 7.80 3.40 0.00 3.09 3.53 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.07 4.33 0.00 3.38 3.42 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 12 A 7.44 3.40 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.37 4.33 0.00 3.06 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 14 R 7.30 3.94 0.00 1.72 1.98 0.00 3.28 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 15 R 9.23 4.52 0.00 1.82 1.96 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 16 G 8.63 3.64 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 0.00 0.00 0.00 17 M 7.58 4.61 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 18 R 8.54 3.87 0.00 1.88 1.88 0.00 3.22 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 19 E 8.07 4.07 0.00 2.16 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 0.00 2.62 2.53 0.00 20 L 7.84 4.17 0.00 1.84 1.73 0.90 1.27 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 21 D 8.33 4.46 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.82 2.07 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 1.45 0.61 0.97 0.00 0.00 23 S 7.66 4.49 0.00 4.01 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 0.00 24 I 8.20 4.08 2.06 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 1.62 0.61 1.11 0.00 0.00 25 M 7.88 4.26 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 26 P 0.00 4.41 0.00 2.28 2.21 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 27 F 8.21 4.11 0.00 3.49 3.42 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 28 F 8.77 3.91 0.00 3.44 3.38 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 29 E 8.40 3.86 0.00 2.01 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 2.76 0.00 30 H 8.00 4.60 0.00 3.17 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.76 4.30 0.00 1.16 1.30 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 1.89 1.81 0.00 32 Y 7.25 3.67 0.00 2.29 2.24 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 0.00 33 D 7.78 4.36 0.00 2.57 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 34 S 7.53 4.27 0.00 3.90 3.85 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 0.00 0.00 0.00 35 L 7.21 4.36 0.00 1.37 1.48 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.02 4.37 0.00 3.99 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 37 D 8.51 4.35 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.02 4.39 0.00 2.72 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 39 E 8.23 4.05 0.00 2.24 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 2.36 2.36 0.00 40 K 8.40 4.08 0.00 1.95 2.00 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.49 1.36 7.81 41 R 8.24 4.06 0.00 2.08 2.04 0.00 3.17 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 1.72 1.88 0.00 42 I 7.96 3.77 2.08 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 1.55 0.88 1.00 0.00 0.00 43 F 8.75 4.23 0.00 3.39 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.66 2.13 0.00 0.00 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 1.55 1.10 0.95 0.00 0.00 45 R 8.10 4.26 0.00 2.04 2.09 0.00 3.16 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 46 L 8.17 4.00 0.00 1.86 1.69 1.12 0.65 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 47 L 7.41 3.90 0.00 1.60 1.49 0.67 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.94 4.14 0.00 2.15 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 2.27 2.44 0.00 49 C 7.17 4.48 0.00 3.11 2.80 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 50 D 8.16 4.53 0.00 2.55 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.27 0.00 2.67 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 52 P 0.00 4.22 0.00 2.05 2.04 0.00 3.43 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 2.04 2.10 0.00 53 D 7.61 3.57 0.00 2.15 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.41 3.80 0.00 1.74 1.70 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.39 4.14 0.00 3.02 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 56 N 8.07 4.12 0.00 2.62 3.04 0.00 0.00 7.10 7.21 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 57 W 8.02 4.40 0.00 3.38 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 58 L 8.21 4.15 0.00 1.68 1.74 0.97 0.91 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 59 M 7.55 4.19 0.00 1.66 1.61 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.00 60 N 7.71 4.25 0.00 2.88 2.90 0.00 0.00 6.85 8.26 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 61 H 8.29 4.45 0.00 3.06 3.31 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.56 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 63 K 8.07 4.19 0.00 1.59 1.65 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.23 7.81 64 P 0.00 3.76 0.00 1.48 0.49 0.00 3.22 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 65 A 8.29 3.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 4.50 0.00 2.64 2.41 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 67 A 8.50 3.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.15 3.87 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 69 L 7.93 3.94 0.00 1.57 1.46 0.89 0.58 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 70 E 8.13 3.66 0.00 1.80 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 2.21 2.17 0.00 71 M 8.10 3.95 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 72 M 8.10 4.03 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.81 0.00 73 V 8.06 3.56 2.15 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 1.05 0.00 0.00 1.05 0.00 0.00 74 R 8.15 3.95 0.00 1.99 1.95 0.00 3.13 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 75 L 8.05 3.97 0.00 1.89 1.86 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.75 3.14 1.79 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 -0.30 -0.08 0.73 0.00 0.00 77 Q 8.03 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 78 T 8.07 3.88 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 1.24 0.00 0.00 79 R 8.34 4.04 0.00 2.17 2.27 0.00 3.48 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 80 N 8.68 4.47 0.00 2.89 2.94 0.00 0.00 6.65 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.08 3.93 0.00 1.91 2.14 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 82 E 8.04 4.17 0.00 2.04 2.00 0.00 0.00 0.00 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 2.49 0.00 83 R 7.70 4.39 0.00 1.98 1.95 0.00 2.97 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 84 G 7.80 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 85 P 0.00 4.21 0.00 2.20 2.09 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 86 V 8.35 3.87 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 0.81 0.00 0.00 0.94 0.00 0.00 87 A 8.37 4.70 1.24 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 0.00 0.00 0.00 88 I 8.29 4.01 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 1.28 0.67 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.