NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3955 8.4449 120.1472 56.2786 30.6900 174.8731 3 F 4.7502 8.9354 123.8021 56.1520 40.6015 173.6893 4 A 4.8334 9.7278 123.8762 49.4803 23.6232 173.6611 5 P 4.3957 0.0000 0.0000 62.8129 32.3269 177.4660 6 R 3.6839 8.8354 122.8488 59.8521 29.8878 178.9688 7 S 4.0708 8.0387 113.2550 61.5163 62.7287 176.6147 8 V 3.5890 7.6436 121.5959 65.7002 31.4121 178.2400 9 V 3.6533 7.6642 117.5017 66.0872 31.3929 177.7698 10 I 3.7529 7.9726 119.7942 64.6411 36.9473 178.2235 11 E 4.0207 8.3890 119.2676 59.4066 29.0021 179.1225 12 E 3.9897 7.8695 118.3267 59.3429 29.8844 178.6185 13 F 4.2881 8.4691 117.6386 60.5255 39.0726 177.7939 14 I 3.9592 8.3548 119.9672 64.5549 36.6874 178.2065 15 D 4.4888 8.3323 118.8405 57.1343 40.6915 178.1094 16 T 4.3258 7.6101 114.5244 64.5094 68.9125 176.0606 17 L 3.8512 7.6151 122.0660 58.3689 42.0863 177.5644 18 E 4.0565 8.0319 118.5575 58.8725 30.3026 176.1839 19 P 4.4657 0.0000 0.0000 62.8732 29.1812 175.8047 *22 E 4.1261 8.1737 122.1743 55.9519 31.7431 177.5666 23 A 3.7614 8.0538 120.1874 54.9099 18.1223 177.7028 24 Y 4.3670 7.9122 110.6994 56.9031 38.6908 175.7018 25 G 3.7655 7.3612 108.0044 46.4740 0.0000 173.9959 26 L 4.5489 7.7412 117.1132 53.1876 43.4519 176.8897 27 D 4.4555 8.5937 121.8113 55.7888 41.9603 175.8211 28 Q 4.4060 7.7295 119.9415 54.6557 31.6325 173.6420 29 V 4.9699 8.4293 125.6499 61.3557 35.1585 174.1076 30 G 4.4440 9.0814 112.4008 44.6715 0.0000 171.2576 31 I 4.7218 8.4618 120.5852 60.8920 38.0984 175.6346 32 F 5.0036 9.1413 128.6912 56.5081 42.1759 173.8284 33 E 4.6116 7.6591 123.3132 54.6148 33.5866 174.5727 34 E 4.3264 8.1973 121.7967 54.8994 34.2908 174.1431 35 H 4.4918 8.7558 121.4104 54.5694 29.7826 175.2209 36 G 4.2337 8.6255 112.7097 44.7454 0.0000 172.5883 37 E 4.1966 8.9050 118.5303 56.9797 30.5603 176.8617 38 G 4.2699 9.3194 108.1781 47.6999 0.0000 172.7345 39 N 4.2567 7.7916 107.7873 54.2032 37.1413 174.7105 40 R 4.7503 7.5812 115.6911 55.6967 32.2865 175.0397 41 Y 4.8412 8.3489 121.6059 56.2662 43.0737 173.2401 42 Y 5.2027 8.3040 121.8712 56.2244 41.5853 174.7036 43 V 4.5116 8.3537 122.3577 60.8386 35.0408 173.8706 44 G 4.5687 8.0916 114.5160 46.9909 0.0000 171.8842 45 Y 5.7342 9.2060 121.0282 56.6094 42.9131 174.6240 46 T 4.9847 9.1776 118.5693 61.9541 71.7341 172.9481 47 I 4.7243 9.0274 127.8525 59.6258 39.1801 174.9453 48 N 4.7656 9.0233 126.7876 52.2002 39.6496 174.5191 49 K 4.2091 9.1221 129.9456 55.0914 32.7387 175.3930 50 D 4.4168 9.3933 128.9205 55.4517 37.9835 174.6846 51 D 4.6266 8.3062 114.3467 54.5617 40.7732 174.9334 52 E 4.4860 7.5392 121.6358 54.8486 31.5394 173.5011 *54 I 4.3162 8.0390 116.3320 61.8000 38.9654 174.8096 55 T 5.1053 8.5052 123.3721 61.5168 71.6402 173.1745 56 I 5.1437 8.7724 119.0835 59.7903 40.7905 174.1869 57 H 5.0680 9.1702 120.2447 54.5284 32.3338 169.7333 *59 P 4.6234 0.0000 0.0000 63.3115 32.9453 175.8696 60 F 5.1588 9.3531 120.9707 55.5890 43.8440 173.6626 61 V 4.7545 8.8383 119.8837 61.0569 34.2885 173.9540 62 K 5.1752 8.9938 129.4109 54.8422 34.0420 175.8958 63 N 4.6148 8.6353 125.4137 51.4354 39.4734 175.1700 64 E 3.8580 8.5283 116.5763 59.8352 29.4226 178.3066 65 R 4.2037 7.9374 114.6884 55.8970 30.0812 177.3022 66 G 3.8301 7.9865 106.1543 45.3178 0.0000 174.1386 67 E 4.3455 8.1795 119.4625 56.1765 31.0998 175.7462 68 L 5.5239 9.2021 121.1138 53.0419 45.3800 175.5546 69 A 4.9461 8.7528 123.3752 49.5831 22.2613 175.1828 70 L 3.2509 8.4858 124.6674 55.1293 42.0903 176.3612 71 E 4.1232 8.6550 128.3800 58.4480 30.2773 176.4657 72 K 4.4533 7.3100 116.8602 55.2406 35.2828 175.5662 73 Q 4.2725 8.2647 126.5116 54.2581 27.4175 174.0694 74 E 5.0422 7.5849 119.2646 54.1378 33.1983 173.7849 75 W 5.0982 9.6748 125.2715 55.3289 32.5052 174.7909 76 T 5.1350 9.0531 119.7712 61.8299 71.4920 173.1540 77 V 4.6570 9.0919 125.8426 61.1283 34.1902 174.1716 78 R 4.9802 9.3524 129.6013 54.6624 31.6403 174.4563 79 K 4.7344 8.4374 127.6750 55.1575 36.0414 175.7884 80 D 4.2863 9.7131 124.3526 55.4939 38.3373 174.7774 81 G 3.9485 8.5132 104.3456 45.7361 0.0000 174.0905 82 R 4.7858 7.8387 117.9135 54.1630 34.1122 174.2610 83 E 5.3224 8.7552 120.4539 54.7112 32.3168 175.5628 84 K 4.6490 9.0024 121.5975 54.9599 36.0638 176.0975 85 K 4.5143 8.7712 124.5789 54.9597 34.7847 176.0055 86 G 3.6481 8.8254 108.4933 45.6785 0.0000 173.5631 87 F 4.4517 7.2584 119.4939 57.2736 39.6042 175.7958 88 H 5.2809 9.1293 122.0402 55.5197 29.2086 174.4982 89 S 4.8826 7.6038 113.3446 57.0803 65.3920 175.3123 90 L 2.6544 8.4925 123.2826 57.8890 42.0518 178.2207 91 Q 4.2709 7.9703 115.6648 58.4557 29.2053 177.7375 92 E 4.0639 8.3326 117.1820 59.4865 29.7846 179.9161 93 A 3.4375 7.7017 119.0623 52.3667 17.7887 178.7022 *95 E 4.2303 8.2934 122.0816 57.7314 31.7544 177.6423 96 E 3.8405 7.7081 118.5079 59.0835 29.3084 178.9312 97 V 3.4398 7.3347 117.4047 65.9064 31.6325 177.6310 98 I 3.8976 7.4078 117.6921 63.4698 37.4534 176.8519 99 H 4.7439 8.1880 114.6488 55.6810 29.4362 175.1635 100 S 4.3643 7.7882 120.2118 58.3576 63.1617 173.9184 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 E 8.44 4.40 0.00 1.82 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 2.22 2.33 0.00 3 F 8.94 4.75 0.00 3.01 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 4 A 9.73 4.83 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 5 P 0.00 4.40 0.00 2.07 1.97 0.00 3.63 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 2.11 2.09 0.00 6 R 8.84 3.68 0.00 1.62 1.82 0.00 3.02 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 7 S 8.04 4.07 0.00 4.08 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 8 V 7.64 3.59 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 1.01 0.00 0.00 0.94 0.00 0.00 9 V 7.66 3.65 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 0.84 0.00 0.00 0.89 0.00 0.00 10 I 7.97 3.75 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.77 0.94 0.00 0.00 11 E 8.39 4.02 0.00 2.21 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 2.59 2.49 0.00 12 E 7.87 3.99 0.00 2.00 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 2.21 2.34 0.00 13 F 8.47 4.29 0.00 3.31 3.08 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 0.00 0.00 0.00 0.00 14 I 8.35 3.96 2.13 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 1.65 1.47 0.99 0.00 0.00 15 D 8.33 4.49 0.00 2.86 2.78 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 16 T 7.61 4.33 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 L 7.62 3.85 0.00 2.02 1.95 0.95 0.87 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 18 E 8.03 4.06 0.00 1.96 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 2.30 2.40 0.00 19 P 0.00 4.47 0.00 2.21 1.99 0.00 3.85 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 2.25 2.08 0.00 *22 E 8.17 4.13 0.00 2.00 2.08 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 0.00 2.22 2.29 0.00 23 A 8.05 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.91 4.37 0.00 2.98 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 25 G 7.36 3.77 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 0.00 0.00 0.00 26 L 7.74 4.55 0.00 1.63 1.58 0.84 1.07 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 27 D 8.59 4.46 0.00 2.61 2.68 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 28 Q 7.73 4.41 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 29 V 8.43 4.97 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 0.91 0.00 0.00 0.90 0.00 0.00 30 G 9.08 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.46 4.72 1.92 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.88 0.00 0.00 32 F 9.14 5.00 0.00 3.11 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 33 E 7.66 4.61 0.00 1.53 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 2.00 2.13 0.00 34 E 8.20 4.33 0.00 1.62 1.76 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 2.08 1.85 0.00 35 H 8.76 4.49 0.00 2.93 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.63 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 0.00 0.00 0.00 0.00 37 E 8.90 4.20 0.00 2.10 1.92 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 2.43 2.36 0.00 38 G 9.32 4.27 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 0.00 39 N 7.79 4.26 0.00 2.95 3.10 0.00 0.00 6.95 7.66 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 40 R 7.58 4.75 0.00 1.91 1.64 0.00 3.19 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 41 Y 8.35 4.84 0.00 2.88 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 42 Y 8.30 5.20 0.00 2.82 2.81 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 43 V 8.35 4.51 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.43 0.00 0.00 44 G 8.09 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.21 5.73 0.00 2.97 2.85 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 46 T 9.18 4.98 4.35 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 1.23 0.00 0.00 47 I 9.03 4.72 1.82 0.00 0.00 0.72 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 0.55 0.87 0.00 0.00 48 N 9.02 4.77 0.00 2.72 2.85 0.00 0.00 7.00 7.13 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 49 K 9.12 4.21 0.00 1.72 1.64 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.34 7.81 50 D 9.39 4.42 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 51 D 8.31 4.63 0.00 2.85 2.85 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 52 E 7.54 4.49 0.00 1.99 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 2.21 2.24 0.00 *54 I 8.04 4.32 1.80 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 1.29 0.60 0.88 0.00 0.00 55 T 8.51 5.11 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 0.07 0.00 0.00 56 I 8.77 5.14 2.08 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.78 0.80 0.00 0.00 57 H 9.17 5.07 0.00 3.59 3.61 0.00 5.76 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 P 0.00 4.62 0.00 2.14 2.42 0.00 3.40 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 60 F 9.35 5.16 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 61 V 8.84 4.75 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 1.15 0.00 0.00 0.93 0.00 0.00 62 K 8.99 5.18 0.00 1.66 1.76 0.00 1.66 0.00 0.00 1.37 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.36 7.81 63 N 8.64 4.61 0.00 2.46 1.66 0.00 0.00 6.58 7.18 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 64 E 8.53 3.86 0.00 1.87 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 2.23 0.00 65 R 7.94 4.20 0.00 1.69 1.87 0.00 3.37 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 66 G 7.99 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 0.00 0.00 0.00 67 E 8.18 4.35 0.00 2.07 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 0.00 2.31 2.24 0.00 68 L 9.20 5.52 0.00 1.36 1.42 0.24 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.75 4.95 0.11 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 0.00 0.00 70 L 8.49 3.25 0.00 1.46 1.40 0.75 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.65 4.12 0.00 1.87 1.93 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 2.23 2.19 0.00 72 K 7.31 4.45 0.00 1.65 1.53 0.00 1.95 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.40 7.81 73 Q 8.26 4.27 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 74 E 7.58 5.04 0.00 1.99 1.76 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 2.27 2.60 0.00 75 W 9.67 5.10 0.00 3.40 3.16 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 76 T 9.05 5.13 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 1.29 0.00 0.00 77 V 9.09 4.66 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 0.81 0.00 0.00 0.40 0.00 0.00 78 R 9.35 4.98 0.00 1.81 1.76 0.00 2.97 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 79 K 8.44 4.73 0.00 1.78 1.54 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.49 7.81 80 D 9.71 4.29 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 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 82 R 7.84 4.79 0.00 1.71 1.78 0.00 3.25 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 83 E 8.76 5.32 0.00 1.83 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 2.20 2.29 0.00 84 K 9.00 4.65 0.00 1.91 1.81 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.44 7.81 85 K 8.77 4.51 0.00 1.66 1.76 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.34 7.81 86 G 8.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.26 4.45 0.00 3.47 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 88 H 9.13 5.28 0.00 3.40 3.38 0.00 5.69 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 89 S 7.60 4.88 0.00 4.03 4.03 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 0.00 0.00 0.00 90 L 8.49 2.65 0.00 1.24 1.58 0.08 0.73 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 91 Q 7.97 4.27 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 92 E 8.33 4.06 0.00 2.34 2.22 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 2.41 2.32 0.00 93 A 7.70 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 E 8.29 4.23 0.00 2.14 2.18 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 2.30 2.35 0.00 96 E 7.71 3.84 0.00 1.69 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.18 0.00 97 V 7.33 3.44 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 0.73 0.00 0.00 0.74 0.00 0.00 98 I 7.41 3.90 1.71 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 1.38 0.89 0.70 0.00 0.00 99 H 8.19 4.74 0.00 3.27 3.32 0.00 5.64 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 0.00 100 S 7.79 4.36 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.