NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3631 8.0327 111.0654 61.5872 71.0027 171.7809 3 E 4.8171 8.5309 122.4959 53.4623 32.5184 169.4737 4 V 4.3659 9.7162 128.2683 61.1568 34.7538 173.2331 5 N 5.3223 8.8198 125.3647 52.0128 39.8048 174.2844 6 L 4.8252 9.1468 124.3464 52.9865 45.1041 175.5647 7 N 5.4071 8.8732 119.8751 52.0073 40.2823 173.9687 8 I 4.4943 8.9272 126.3834 59.2873 39.8421 174.8864 9 Y 4.2963 8.7100 129.2081 57.4951 40.2291 174.0074 10 S 4.4101 7.9290 121.6801 55.7886 64.2313 173.0621 11 P 4.2851 0.0000 0.0000 65.0264 31.4643 177.9195 12 R 3.6342 7.6462 117.7548 57.8468 30.0137 176.6888 13 W 4.7243 7.4677 114.3177 55.3142 30.0502 175.5137 14 G 4.0571 7.8340 106.7358 45.8625 0.0000 173.3456 15 R 4.6591 6.8381 112.3164 55.1085 32.9119 173.4728 16 H 4.7959 8.9519 117.6549 55.7378 29.3342 175.2038 17 E 4.3637 9.5883 124.3928 56.1413 31.1160 176.0694 18 T 4.9109 8.4410 120.4862 63.1901 69.6226 173.6383 19 Y 4.6168 9.3714 125.7188 56.5413 40.2294 174.8500 20 I 4.7257 9.0065 126.3113 59.9152 39.2966 174.9006 21 V 4.6822 9.0003 128.7935 61.5872 32.9775 174.3155 22 E 4.8662 9.2276 128.8819 54.8636 30.7128 175.4875 23 L 4.2644 8.5098 125.8978 53.2704 42.5979 176.0226 24 H 5.0849 8.5595 120.0327 53.2573 32.5748 174.6558 25 K 3.8558 8.9713 121.6688 59.6837 32.1993 177.4767 26 D 4.9744 8.0543 116.9986 55.4957 42.4609 175.2087 27 Y 4.8774 7.0935 117.0094 57.3188 41.3135 172.7935 *29 E 4.5967 8.4545 117.2419 56.6072 31.9056 175.0414 30 I 5.0620 8.5540 122.4857 60.0855 40.9476 174.9492 31 S 5.8330 8.5648 124.2079 54.7213 66.7986 174.8472 *33 G 3.8752 8.5965 109.7282 46.1466 0.0000 174.5651 34 A 4.2320 8.7480 128.0233 51.9469 19.1567 177.5614 35 V 4.2677 7.3666 116.8151 61.2098 33.0593 174.3244 36 T 5.1993 8.3431 122.9901 61.7705 71.6025 173.2647 37 I 4.6320 8.5850 119.5760 59.1560 41.1903 174.4304 38 K 4.7787 8.4003 122.7513 54.6612 35.9101 174.3174 39 A 4.6172 7.8752 128.1147 49.9171 21.4756 174.8176 40 T 4.7647 8.4441 113.5322 59.8289 71.2399 173.4859 41 Y 4.7871 9.6031 128.3537 57.5282 39.6327 175.0036 42 S 4.6779 7.5997 119.3331 56.0552 66.1427 174.6375 43 E 4.0667 9.0122 122.8946 59.2012 29.3088 177.7161 44 N 4.9444 7.9553 111.6508 52.8217 39.5342 173.6475 45 Q 4.5924 7.4343 115.0515 53.7199 33.0722 174.4945 46 D 4.5474 8.5283 118.9710 53.9998 41.4175 175.0658 47 P 4.5500 0.0000 0.0000 63.3032 32.3840 175.6286 48 E 4.4102 9.1751 124.9372 55.4286 30.3522 175.3287 49 W 5.2400 8.8226 127.2110 54.8550 31.1881 176.5569 50 S 4.3215 8.5713 117.3527 59.1037 62.3714 174.7437 51 E 4.0518 8.8875 120.9243 58.9162 29.6699 176.8770 52 E 4.1620 8.1220 119.8520 56.0063 29.8701 176.8244 53 T 4.2924 8.4872 117.8905 60.4885 71.3614 175.2197 54 L 3.8617 8.0662 122.6741 58.4682 41.9618 178.6508 55 Q 4.0180 7.7605 116.3828 58.9453 28.7656 177.9781 56 D 4.5774 7.6792 118.8783 57.2066 41.0821 180.4231 57 I 3.9484 7.4695 112.4833 61.3848 37.7614 177.6019 *59 N 4.5400 8.1255 119.2921 54.4049 40.4190 176.7338 60 N 4.3317 7.6969 114.5785 55.9124 38.6856 175.4129 61 D 4.7610 8.0651 116.0921 53.6230 40.9078 176.1173 62 S 3.5653 7.7185 113.8325 59.6514 60.9377 172.1092 63 V 4.1577 7.1020 118.3154 61.1864 33.3036 173.7896 64 Y 4.7148 8.1201 124.7727 55.3610 38.0656 173.4234 65 P 4.3805 0.0000 0.0000 60.6732 33.0947 175.2590 66 P 4.1810 0.0000 0.0000 62.6016 31.7004 177.4747 67 E 3.8881 8.6095 121.8968 59.1542 29.9434 177.6370 68 I 4.0136 7.7288 116.9677 62.1014 38.7765 177.0861 69 T 4.0727 8.0095 117.5764 67.8418 68.2372 175.8314 70 Q 3.6087 7.8297 120.6220 59.0048 29.0126 177.5884 71 N 4.3944 8.0270 117.6682 56.5225 39.0679 176.6337 72 L 4.1628 8.2832 120.4810 57.9628 41.8167 179.3659 73 F 4.1812 8.7708 117.7085 60.7996 38.8285 177.3999 74 Q 4.6922 8.8450 119.1465 59.7418 28.8227 178.0241 75 H 4.2792 8.7072 118.9253 59.3748 29.9406 176.9377 76 A 3.9998 8.2731 122.6009 54.9826 18.1320 179.4255 77 W 4.3180 8.5265 126.6446 60.8371 30.7495 178.2421 78 L 3.4890 8.3373 119.2464 57.6740 40.9509 179.4546 79 E 3.9251 8.4365 118.7922 59.0739 29.3558 179.1918 80 W 4.2246 8.5783 128.7356 60.2533 30.5230 177.8868 81 R 3.4537 8.2863 118.6760 58.8547 29.4871 177.6988 82 K 4.2540 7.2141 115.6024 56.3551 32.8407 177.0676 83 G 3.6169 7.5400 106.3361 46.5173 0.0000 175.2251 84 A 4.1413 7.9728 123.8073 53.4367 18.6776 178.7550 85 L 4.9342 7.5148 114.8696 52.3538 45.2998 176.8551 86 D 4.8038 9.1398 123.5768 52.4455 42.5995 177.0581 87 N 4.4756 8.7416 115.6699 56.8045 38.4469 176.9961 88 D 4.3859 8.2108 118.9279 57.1257 41.3802 178.0090 89 E 4.0107 9.1640 119.9138 59.4073 29.5084 179.7258 90 V 3.6667 8.1888 119.3775 64.8723 31.3404 178.5722 91 T 3.7516 7.7328 115.9248 66.6061 68.3682 176.7652 92 R 3.9039 8.0077 119.7484 59.3395 29.8624 178.9461 93 E 3.9718 8.3367 118.4375 59.5619 29.4782 179.5560 94 L 3.8002 7.9042 118.9226 57.6238 41.5455 179.3549 95 E 4.0223 8.3020 118.7028 59.2928 29.3291 179.3599 96 L 4.0317 8.0224 119.1818 57.4325 41.5653 179.6657 97 V 3.8241 7.5252 118.2120 65.8785 31.4153 177.8990 98 A 4.0465 8.1629 120.6161 55.2595 18.2541 179.2889 99 Q 3.9600 8.4418 118.2686 59.0175 29.0738 178.4179 100 W 4.3884 8.3837 129.3290 60.6327 30.8439 177.8952 101 V 3.3277 8.0494 118.2374 66.2622 30.8602 177.6988 102 N 4.4163 8.5217 116.2304 56.3156 38.3482 177.5786 103 K 4.0218 8.1992 119.9592 59.2180 31.8843 179.5330 104 V 3.5094 7.6415 117.7379 66.2965 31.8144 177.8199 105 T 4.0218 7.8753 115.3215 66.8223 68.1363 176.1725 106 E 3.9129 8.1673 119.4232 58.7430 29.7038 177.7211 107 A 4.3863 7.5674 117.9072 50.7271 19.5843 177.1972 108 K 3.7864 7.1851 119.2762 55.7745 32.7348 174.7648 109 P 4.2941 0.0000 0.0000 63.6445 31.5861 175.5234 110 N 5.0527 8.6888 119.9137 52.8059 39.8177 174.8589 111 S 4.4529 8.2156 111.6565 57.9019 64.9838 174.2634 112 D 4.3757 8.7645 122.9998 57.5328 40.3249 178.8764 113 F 3.9998 8.1296 119.7657 61.3325 39.6946 176.8843 114 W 4.6999 8.1711 118.2913 59.8710 27.7022 178.8326 115 R 3.9631 8.5091 118.4187 59.0773 29.2421 178.9503 116 K 4.1555 7.7685 118.6756 58.8287 32.1537 177.5928 117 Y 4.4452 7.1469 119.4049 59.2497 39.3588 175.0039 118 F 4.3462 8.6097 118.3234 57.4021 38.0197 173.4458 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 2 T 8.03 4.36 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 1.51 0.00 0.00 3 E 8.53 4.82 0.00 1.98 1.78 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 0.00 2.14 2.44 0.00 4 V 9.72 4.37 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 0.80 0.00 0.00 0.79 0.00 0.00 5 N 8.82 5.32 0.00 2.63 2.77 0.00 0.00 6.97 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 6 L 9.15 4.83 0.00 1.69 1.62 0.96 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.87 5.41 0.00 2.63 2.84 0.00 0.00 6.85 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 8 I 8.93 4.49 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.36 0.80 0.00 0.00 9 Y 8.71 4.30 0.00 2.87 2.82 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 10 S 7.93 4.41 0.00 3.92 3.78 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 0.00 0.00 0.00 0.00 11 P 0.00 4.29 0.00 2.01 2.13 0.00 3.87 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 2.14 2.19 0.00 12 R 7.65 3.63 0.00 1.38 1.30 0.00 2.90 0.00 0.00 2.89 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 13 W 7.47 4.72 0.00 3.20 3.10 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 14 G 7.83 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 0.00 0.00 0.00 15 R 6.84 4.66 0.00 1.91 2.05 0.00 3.00 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 16 H 8.95 4.80 0.00 3.13 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.59 4.36 0.00 2.09 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 2.39 2.74 0.00 18 T 8.44 4.91 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 1.24 0.00 0.00 19 Y 9.37 4.62 0.00 2.96 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 20 I 9.01 4.73 1.87 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 1.12 0.60 0.97 0.00 0.00 21 V 9.00 4.68 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 0.90 0.00 0.00 1.16 0.00 0.00 22 E 9.23 4.87 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 23 L 8.51 4.26 0.00 0.27 0.38 0.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.56 5.08 0.00 2.40 2.87 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.97 3.86 0.00 1.65 1.87 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.50 7.81 26 D 8.05 4.97 0.00 2.99 2.93 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 27 Y 7.09 4.88 0.00 2.97 2.97 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 *29 E 8.45 4.60 0.00 2.03 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 2.25 2.57 0.00 30 I 8.55 5.06 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 1.11 0.00 0.00 31 S 8.56 5.83 0.00 3.67 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 *33 G 8.60 3.88 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 0.00 0.00 0.00 34 A 8.75 4.23 1.22 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 0.00 0.00 0.00 35 V 7.37 4.27 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 0.99 0.00 0.00 0.89 0.00 0.00 36 T 8.34 5.20 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 1.23 0.00 0.00 37 I 8.58 4.63 2.02 0.00 0.00 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 1.37 1.12 1.01 0.00 0.00 38 K 8.40 4.78 0.00 1.67 1.50 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.57 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.19 1.23 7.81 39 A 7.88 4.62 -0.75 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 0.00 0.00 40 T 8.44 4.76 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 1.15 0.00 0.00 41 Y 9.60 4.79 0.00 3.30 3.24 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 42 S 7.60 4.68 0.00 3.90 3.83 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 43 E 9.01 4.07 0.00 2.00 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 2.37 0.00 44 N 7.96 4.94 0.00 2.65 2.78 0.00 0.00 6.65 7.69 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 45 Q 7.43 4.59 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 46 D 8.53 4.55 0.00 2.73 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 47 P 0.00 4.55 0.00 2.30 2.38 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 48 E 9.18 4.41 0.00 2.10 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 2.29 2.37 0.00 49 W 8.82 5.24 0.00 3.23 3.13 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 50 S 8.57 4.32 0.00 3.98 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 51 E 8.89 4.05 0.00 2.01 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 2.35 2.34 0.00 52 E 8.12 4.16 0.00 1.92 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 2.30 2.36 0.00 53 T 8.49 4.29 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 1.17 0.00 0.00 54 L 8.07 3.86 0.00 1.29 1.43 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.76 4.02 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 56 D 7.68 4.58 0.00 2.84 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 57 I 7.47 3.95 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.03 0.97 0.00 0.00 *59 N 8.13 4.54 0.00 2.98 2.89 0.00 0.00 7.63 6.92 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 60 N 7.70 4.33 0.00 2.95 2.93 0.00 0.00 7.01 7.92 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 61 D 8.07 4.76 0.00 2.72 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 62 S 7.72 3.57 0.00 3.87 3.92 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 63 V 7.10 4.16 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 0.90 0.00 0.00 0.95 0.00 0.00 64 Y 8.12 4.71 0.00 3.08 2.94 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 0.00 0.00 0.00 0.00 65 P 0.00 4.38 0.00 1.97 1.85 0.00 3.45 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 66 P 0.00 4.18 0.00 1.76 1.77 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.24 0.00 67 E 8.61 3.89 0.00 1.87 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 2.34 0.00 68 I 7.73 4.01 1.97 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 1.52 1.25 1.20 0.00 0.00 69 T 8.01 4.07 4.12 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 0.00 0.00 0.00 1.25 0.00 0.00 70 Q 7.83 3.61 0.00 1.68 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 N 8.03 4.39 0.00 2.80 3.04 0.00 0.00 7.21 6.66 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 72 L 8.28 4.16 0.00 2.23 1.89 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.77 4.18 0.00 3.41 3.41 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 74 Q 8.84 4.69 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.74 3.01 0.00 75 H 8.71 4.28 0.00 3.41 3.59 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.27 4.00 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 77 W 8.53 4.32 0.00 3.45 3.68 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 78 L 8.34 3.49 0.00 1.81 1.60 1.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.44 3.93 0.00 2.06 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 2.25 2.25 0.00 80 W 8.58 4.22 0.00 3.44 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.45 0.00 1.60 1.77 0.00 2.53 0.00 0.00 2.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.48 0.00 82 K 7.21 4.25 0.00 1.78 1.71 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.35 7.81 83 G 7.54 3.62 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 0.00 0.00 0.00 84 A 7.97 4.14 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 85 L 7.51 4.93 0.00 1.76 1.65 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.14 4.80 0.00 2.97 2.84 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 87 N 8.74 4.48 0.00 2.84 2.99 0.00 0.00 6.49 8.08 0.00 0.00 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 D 8.21 4.39 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 89 E 9.16 4.01 0.00 2.34 2.02 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 2.35 2.44 0.00 90 V 8.19 3.67 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 0.72 0.00 0.00 0.92 0.00 0.00 91 T 7.73 3.75 4.43 0.00 0.00 0.00 0.00 0.00 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 92 R 8.01 3.90 0.00 1.84 1.97 0.00 3.49 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 93 E 8.34 3.97 0.00 1.96 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 2.57 2.52 0.00 94 L 7.90 3.80 0.00 1.76 1.43 0.73 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.30 4.02 0.00 2.16 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 2.33 2.52 0.00 96 L 8.02 4.03 0.00 1.84 1.71 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.53 3.82 2.19 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 1.45 0.00 0.00 1.01 0.00 0.00 98 A 8.16 4.05 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 99 Q 8.44 3.96 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 100 W 8.38 4.39 0.00 3.51 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.05 3.33 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 0.86 0.00 0.00 0.84 0.00 0.00 102 N 8.52 4.42 0.00 3.01 2.92 0.00 0.00 7.07 8.49 0.00 0.00 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 K 8.20 4.02 0.00 2.13 1.95 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.69 7.81 104 V 7.64 3.51 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 0.76 0.00 0.00 0.52 0.00 0.00 105 T 7.88 4.02 4.45 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 0.00 0.00 0.00 1.33 0.00 0.00 106 E 8.17 3.91 0.00 1.91 2.19 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 2.30 2.28 0.00 107 A 7.57 4.39 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 0.00 108 K 7.19 3.79 0.00 1.79 1.65 0.00 0.61 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.02 1.27 7.81 109 P 0.00 4.29 0.00 2.03 2.04 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 110 N 8.69 5.05 0.00 2.62 2.77 0.00 0.00 7.15 7.63 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 0.00 111 S 8.22 4.45 0.00 4.19 4.16 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 0.00 0.00 0.00 0.00 112 D 8.76 4.38 0.00 2.83 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 0.00 113 F 8.13 4.00 0.00 2.77 2.76 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 0.00 0.00 0.00 0.00 114 W 8.17 4.70 0.00 3.60 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.51 3.96 0.00 1.88 2.00 0.00 3.46 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 116 K 7.77 4.16 0.00 1.65 1.87 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 117 Y 7.15 4.45 0.00 2.98 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 0.00 118 F 8.61 4.35 0.00 2.85 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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.