NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3991 8.3044 120.3270 54.6630 33.9413 174.3227 2 V 4.1065 7.6352 120.0682 61.5259 32.8068 173.9957 3 K 4.2692 9.6628 128.6889 55.7368 33.3559 175.7398 4 Q 4.2884 8.7019 127.9469 55.9450 29.5125 175.1470 5 I 4.2559 8.3515 128.7681 60.0639 38.0584 175.8790 6 E 4.6917 8.4497 125.3162 54.9458 31.1106 175.7322 7 S 4.5756 7.5009 112.4402 56.3751 66.5216 175.7212 8 K 4.0308 8.4575 123.5124 59.8530 31.8257 179.0386 9 T 3.9692 7.9273 109.6208 64.5200 68.9185 176.4686 10 A 3.9635 8.3215 123.8907 54.7429 18.4103 179.3191 11 F 4.0303 8.2809 119.1363 61.6373 39.4442 177.2431 12 Q 3.7331 8.1372 119.1382 59.0614 28.8631 177.8054 13 E 3.8712 8.5162 119.8377 59.2369 29.2294 179.2111 14 A 3.8942 7.9119 120.7284 55.2291 18.2494 179.7698 15 L 3.5992 7.3312 116.1304 57.7558 41.6077 179.1736 16 D 4.4341 7.9014 118.2386 56.9232 41.0113 178.0282 17 A 4.1709 8.2714 118.9110 53.3846 18.6252 178.7254 18 A 4.0650 7.6603 119.3766 52.5504 18.7113 178.6206 19 G 3.9715 8.4494 105.4203 47.1075 0.0000 174.8116 20 D 4.6232 8.7284 124.0010 53.3397 39.8760 176.6533 21 K 4.2924 7.3732 119.9950 55.5386 33.1420 176.4001 22 L 4.3068 8.3526 124.3517 55.3264 43.5144 175.5190 23 V 4.6987 9.1362 126.1408 61.0355 34.4000 174.0732 24 V 4.4410 8.5294 128.1779 60.9950 33.8516 174.1386 25 V 4.7264 8.6839 128.5170 61.1674 34.0327 173.6436 26 D 4.3537 8.8751 128.9756 52.7007 42.4191 175.0561 27 F 4.9225 8.6761 127.1707 56.4902 40.2570 175.4858 28 S 4.8860 8.7159 117.6317 56.3663 67.1544 172.5846 29 A 4.8825 7.6211 120.0597 50.0129 21.8676 177.5375 30 T 3.7719 7.7556 107.6355 63.9799 68.9466 175.5569 31 W 4.3815 7.4459 116.8786 57.0831 28.9684 177.2277 32 C 4.6696 7.5028 120.8207 54.9206 44.2101 173.5601 33 G 3.8134 8.6282 115.3039 47.7098 0.0000 171.5771 34 P 4.3308 0.0000 0.0000 65.0084 31.0816 179.3341 35 C 4.2050 8.0688 114.2937 60.1955 38.7370 175.9555 36 K 3.9634 7.8449 119.3126 59.5522 31.3303 179.1754 37 M 4.2089 7.9520 118.0179 58.2976 32.5050 177.4855 38 I 4.1354 8.0048 117.3800 62.0947 38.2121 177.4243 39 K 4.0457 7.7325 119.4784 59.8644 32.0808 176.6923 40 P 4.3394 0.0000 0.0000 65.5317 31.2940 178.2922 41 F 4.2487 8.3749 119.0828 61.1797 39.2205 176.5892 42 F 4.0217 8.8435 120.7142 61.7325 39.1839 176.7467 43 H 3.9696 8.5053 116.0200 58.8860 28.4372 177.8559 44 S 4.0071 8.2698 116.3443 61.5087 62.6624 176.6069 45 L 3.7640 7.3152 122.6915 57.2694 41.0215 179.6115 46 S 3.2541 6.4546 113.1529 60.6726 62.8763 176.0224 47 E 4.0520 7.3189 121.1908 58.5871 29.4164 178.5855 48 K 3.9428 7.9154 119.0294 58.7145 34.0417 178.0252 49 Y 4.5449 8.1167 119.9409 56.2391 35.1539 176.5069 50 S 4.2762 8.0312 116.7378 60.6277 63.8202 176.0056 51 N 4.6434 8.2283 116.5058 53.6180 37.5366 174.5892 52 V 4.5279 7.6905 118.3922 61.3158 34.8982 174.4182 53 I 4.5366 8.4728 127.0784 59.8033 39.4113 174.5411 54 F 5.1714 8.8717 124.7646 55.6190 41.8914 174.1704 55 L 5.3483 9.4115 123.6997 52.8523 45.3932 174.9283 56 E 4.8911 8.8807 123.1799 54.3369 32.5358 174.7505 57 V 4.4568 8.2651 126.1532 60.9920 34.1734 173.6089 58 D 4.9087 8.5234 128.6257 53.5198 41.7442 177.3301 59 V 3.7299 8.8194 120.4797 64.4160 32.0798 178.3419 60 D 4.5429 8.5057 119.6118 56.6519 41.0799 177.4915 61 D 4.4354 7.7745 114.2349 55.9434 40.6013 176.8848 *63 Q 4.5702 8.2707 119.6391 56.0018 31.0524 177.2508 64 D 4.2849 8.0462 117.5725 56.5011 39.2504 178.6530 65 V 3.4100 7.6318 118.0532 65.3442 31.9683 177.2095 66 A 3.9740 7.9155 119.9503 55.2041 18.0099 179.5682 67 S 4.0607 7.9892 112.5514 61.6418 63.0674 178.8663 68 E 4.0987 7.8028 119.3853 56.0558 29.7714 177.2416 *70 E 4.0742 8.1535 115.3140 56.0503 31.0129 176.6468 71 V 3.6012 7.2601 118.0028 62.6272 32.1692 175.4949 72 K 4.5157 8.4335 123.9522 56.0738 34.3781 175.7907 73 C 4.6934 7.8721 116.0024 58.2526 29.7819 172.6629 74 M 4.3213 8.3670 123.2987 53.2111 33.1007 174.3925 75 P 4.5453 0.0000 0.0000 62.7303 33.5529 174.8913 76 T 4.7090 8.0482 117.1253 61.7066 71.8586 173.1079 77 F 4.9598 8.5217 124.7920 55.8902 41.1580 174.6602 78 Q 5.1300 8.7606 123.0163 54.0881 32.0107 174.7061 79 F 5.3211 8.9905 120.7280 55.8005 42.3981 174.4124 80 F 5.5192 9.6672 121.4353 55.7756 43.5776 174.2690 81 K 4.7372 8.8172 120.4431 54.9886 36.0843 176.9246 82 K 3.7209 9.6894 125.6775 57.6178 29.3234 176.8841 83 G 3.9535 8.3956 106.1671 45.5250 0.0000 173.6436 84 Q 4.5529 7.7454 121.2698 54.1584 30.3520 174.4040 85 K 3.9949 8.7104 126.1437 56.4861 32.4097 176.6087 86 V 4.3299 8.2310 119.0642 60.9138 32.9354 175.6716 87 G 4.0963 7.6481 105.8749 46.0238 0.0000 172.1607 88 E 5.6901 8.8823 119.4668 55.3901 32.5605 174.1545 89 F 5.2119 8.8841 120.4084 56.1669 41.8461 173.0485 90 S 5.0468 9.1893 113.7169 56.7563 65.6018 174.4102 91 G 4.0533 8.9369 107.6390 45.9179 0.0000 174.2327 92 A 4.5213 8.2647 124.4856 50.9946 17.6470 179.3034 93 N 4.7442 7.9842 121.0075 51.4093 40.1213 174.3446 94 K 3.8472 8.3867 127.9738 59.5008 32.2492 178.5416 95 E 3.9189 8.0797 118.7517 59.2732 29.5331 178.6141 96 K 3.7662 8.4563 119.5958 59.1979 32.2546 178.2758 97 L 4.3392 8.0791 120.6262 58.4081 42.0436 178.6216 98 E 3.9532 8.4677 118.7573 59.3021 29.5780 178.3785 99 A 4.0068 8.0713 120.7535 55.7061 18.4491 179.7471 100 T 3.6101 8.0085 114.0231 66.6326 68.4453 176.8647 101 I 3.6617 7.6446 121.5410 64.6563 36.9285 178.3314 102 N 4.3832 7.9572 115.7908 56.1121 38.3830 176.8511 103 E 4.0176 8.2254 120.4692 58.4803 29.7822 177.9129 104 L 4.4837 7.4023 116.6483 54.9371 42.8787 176.8330 105 V 3.7817 7.5973 122.8201 61.9332 31.1915 175.8123 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 1 M 8.30 4.40 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 2 V 7.64 4.11 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 0.97 0.00 0.00 0.87 0.00 0.00 3 K 9.66 4.27 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.42 7.81 4 Q 8.70 4.29 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 5 I 8.35 4.26 1.96 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 1.26 1.12 1.01 0.00 0.00 6 E 8.45 4.69 0.00 1.90 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 2.19 2.19 0.00 7 S 7.50 4.58 0.00 4.00 3.91 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 0.00 0.00 0.00 8 K 8.46 4.03 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.58 7.81 9 T 7.93 3.97 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 10 A 8.32 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.28 4.03 0.00 3.13 3.23 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 0.00 12 Q 8.14 3.73 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 13 E 8.52 3.87 0.00 2.04 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 2.30 2.53 0.00 14 A 7.91 3.89 1.26 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 0.00 0.00 0.00 15 L 7.33 3.60 0.00 1.47 1.46 0.02 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.90 4.43 0.00 2.61 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 17 A 8.27 4.17 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 18 A 7.66 4.06 1.33 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 19 G 8.45 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 20 D 8.73 4.62 0.00 2.80 2.79 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 21 K 7.37 4.29 0.00 1.85 1.76 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 L 8.35 4.31 0.00 1.77 1.50 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.14 4.70 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 0.77 0.00 0.00 0.93 0.00 0.00 24 V 8.53 4.44 1.52 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 0.78 0.00 0.00 0.50 0.00 0.00 25 V 8.68 4.73 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 0.27 0.00 0.00 1.07 0.00 0.00 26 D 8.88 4.35 0.00 1.58 1.79 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 27 F 8.68 4.92 0.00 2.72 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 28 S 8.72 4.89 0.00 3.64 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 29 A 7.62 4.88 0.23 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 0.00 0.00 0.00 30 T 7.76 3.77 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 1.18 0.00 0.00 31 W 7.45 4.38 0.00 3.54 3.25 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 0.00 32 C 7.50 4.67 0.00 2.09 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 33 G 8.63 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.33 0.00 2.20 2.16 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 35 C 8.07 4.21 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 36 K 7.84 3.96 0.00 1.99 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.40 7.81 37 M 7.95 4.21 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 38 I 8.00 4.14 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 1.21 0.00 0.00 39 K 7.73 4.05 0.00 2.20 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.53 7.81 40 P 0.00 4.34 0.00 2.30 2.15 0.00 3.96 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 41 F 8.37 4.25 0.00 3.16 3.34 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 42 F 8.84 4.02 0.00 3.31 3.23 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 0.00 43 H 8.51 3.97 0.00 3.40 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.27 4.01 0.00 3.92 4.21 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 0.00 0.00 0.00 45 L 7.32 3.76 0.00 1.16 1.41 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.45 3.25 0.00 3.63 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.32 4.05 0.00 1.83 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 2.25 2.33 0.00 48 K 7.92 3.94 0.00 1.60 1.81 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.46 1.11 7.81 49 Y 8.12 4.54 0.00 3.27 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 50 S 8.03 4.28 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.23 4.64 0.00 2.91 3.03 0.00 0.00 5.74 7.68 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 52 V 7.69 4.53 2.25 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 0.27 0.00 0.00 0.92 0.00 0.00 53 I 8.47 4.54 1.80 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 1.22 0.72 0.88 0.00 0.00 54 F 8.87 5.17 0.00 2.81 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 55 L 9.41 5.35 0.00 1.52 1.54 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.88 4.89 0.00 2.02 1.77 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 2.11 2.06 0.00 57 V 8.27 4.46 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 0.79 0.00 0.00 0.59 0.00 0.00 58 D 8.52 4.91 0.00 2.70 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 59 V 8.82 3.73 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 0.88 0.00 0.00 0.91 0.00 0.00 60 D 8.51 4.54 0.00 2.82 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 61 D 7.77 4.44 0.00 2.90 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 0.00 0.00 0.00 0.00 *63 Q 8.27 4.57 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 64 D 8.05 4.28 0.00 2.85 2.91 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 0.00 0.00 0.00 65 V 7.63 3.41 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 0.12 0.00 0.00 0.76 0.00 0.00 66 A 7.92 3.97 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 67 S 7.99 4.06 0.00 3.81 3.91 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 0.00 0.00 0.00 68 E 7.80 4.10 0.00 1.93 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 2.50 2.51 0.00 *70 E 8.15 4.07 0.00 1.93 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 2.18 2.47 0.00 71 V 7.26 3.60 1.74 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 0.54 0.00 0.00 -0.25 0.00 0.00 72 K 8.43 4.52 0.00 1.71 1.78 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.51 7.81 73 C 7.87 4.69 0.00 2.96 2.87 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 0.00 0.00 0.00 74 M 8.37 4.32 0.00 1.60 1.75 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.42 0.00 75 P 0.00 4.55 0.00 1.36 1.90 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 76 T 8.05 4.71 4.07 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 1.18 0.00 0.00 77 F 8.52 4.96 0.00 2.31 2.52 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 0.00 0.00 0.00 0.00 78 Q 8.76 5.13 0.00 2.42 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 79 F 8.99 5.32 0.00 2.97 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 80 F 9.67 5.52 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.82 4.74 0.00 1.68 1.68 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.44 7.81 82 K 9.69 3.72 0.00 1.92 1.90 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 83 G 8.40 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 0.00 0.00 0.00 84 Q 7.75 4.55 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 85 K 8.71 3.99 0.00 1.60 1.65 0.00 1.61 0.00 0.00 1.44 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.11 7.81 86 V 8.23 4.33 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 0.77 0.00 0.00 1.00 0.00 0.00 87 G 7.65 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.88 5.69 0.00 1.98 1.84 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 2.21 2.42 0.00 89 F 8.88 5.21 0.00 3.30 3.21 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 0.00 0.00 0.00 90 S 9.19 5.05 0.00 4.10 3.86 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 0.00 0.00 0.00 91 G 8.94 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.26 4.52 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 93 N 7.98 4.74 0.00 2.86 2.85 0.00 0.00 7.05 6.52 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 94 K 8.39 3.85 0.00 1.44 0.74 0.00 1.44 0.00 0.00 0.98 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.98 1.31 7.81 95 E 8.08 3.92 0.00 1.98 2.04 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 2.35 2.37 0.00 96 K 8.46 3.77 0.00 1.63 1.49 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.44 0.98 7.81 97 L 8.08 4.34 0.00 2.08 2.08 0.92 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 98 E 8.47 3.95 0.00 2.41 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 0.00 2.47 2.49 0.00 99 A 8.07 4.01 1.33 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 0.00 100 T 8.01 3.61 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 0.22 0.00 0.00 101 I 7.64 3.66 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.05 0.36 0.00 0.00 102 N 7.96 4.38 0.00 2.83 2.90 0.00 0.00 7.05 7.16 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 0.00 103 E 8.23 4.02 0.00 2.00 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 2.27 2.43 0.00 104 L 7.40 4.48 0.00 1.58 1.66 0.55 1.01 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 0.00 105 V 7.60 3.78 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 0.74 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.