NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4201 8.3344 115.4096 57.7087 65.0863 174.2359 -1 N 4.1725 7.9418 121.0993 56.0049 39.3661 175.3737 0 A 4.0370 8.7383 118.9644 53.1142 19.1543 178.0686 0 E 4.0670 8.9183 115.3644 57.2142 29.9543 176.8686 3 R 4.0087 8.4051 118.0859 59.5692 29.9995 178.8643 4 H 4.3953 7.8273 115.6605 58.7422 28.7031 177.7683 5 Q 4.0160 7.9312 119.5929 59.0135 28.7085 177.4989 6 H 4.1735 8.3095 118.8239 59.3704 29.8552 176.6483 7 L 3.9256 7.8933 121.5704 58.1131 41.9634 178.5003 8 L 3.9452 7.9697 120.1872 58.3826 42.0164 178.7708 9 S 4.4941 8.6162 114.7039 60.9351 62.0667 175.9959 10 E 3.9183 8.5213 121.5517 59.7559 29.1781 179.0448 11 Y 3.8833 8.1763 116.6630 60.8695 37.8037 178.0816 12 Q 4.0913 8.6406 119.5863 59.3094 28.8314 179.1285 13 Q 4.0356 8.2283 118.8618 58.6995 28.6278 178.7995 14 I 3.8173 7.3776 120.9706 64.1109 37.2371 178.0656 15 L 4.0856 8.4123 121.6161 58.3891 41.8814 179.2294 16 T 4.0342 8.0222 115.8512 66.6438 68.1785 176.7260 17 L 4.0348 7.6485 119.4079 57.5530 41.7224 178.8751 18 S 4.2015 8.3304 112.7634 61.6929 62.6020 175.9930 19 E 4.1744 8.3658 120.8551 59.4369 29.2287 180.5241 20 Q 3.8707 7.7711 115.2476 56.3388 28.5157 178.1667 *22 L 4.2005 7.9133 124.1337 55.0333 44.0509 179.1414 23 V 3.6464 7.6420 118.4473 64.4001 31.4415 178.2164 24 L 3.7882 7.9171 119.4180 57.6116 41.4058 179.4698 25 A 2.9509 7.6301 119.9551 55.0505 18.1816 179.2983 26 T 3.7699 7.7417 113.6310 66.6887 68.6516 175.4874 27 E 4.3299 7.8216 117.0592 55.6837 29.9178 177.1666 28 G 3.1125 7.4096 107.7700 45.4125 0.0000 174.8252 29 N 4.4127 7.3604 120.3376 52.2794 36.8518 175.6101 30 W 4.3933 7.3626 115.3778 57.6366 30.0356 176.9391 31 D 4.6042 8.3903 120.0070 56.4919 40.8708 178.5225 32 A 4.2060 7.9755 119.6394 53.5112 18.7524 178.6265 33 L 4.2652 7.8739 118.1107 57.4361 42.1949 178.6567 34 V 3.7437 7.7240 116.3538 65.1596 31.5846 176.9069 35 D 4.5002 7.9256 116.8294 57.1251 41.6887 177.5862 36 L 4.1854 7.4347 119.6394 57.6714 41.3686 179.5745 37 E 4.1381 7.7869 114.6996 57.7859 29.2290 178.6911 *39 T 4.2565 7.8503 118.4385 63.9198 70.9195 175.8014 40 Y 4.0394 8.2809 121.7738 60.8283 38.8500 177.9821 41 L 3.8589 8.3669 120.1944 57.6884 41.7155 179.5092 42 K 4.3025 7.9676 117.1803 58.4227 32.1713 179.1225 43 A 3.8955 7.7938 121.5220 54.9531 18.1914 179.7590 44 V 3.2353 7.4980 116.7512 65.9865 31.5577 177.7413 45 E 3.8302 8.4385 119.3585 59.5046 29.2222 178.8315 46 S 4.1436 7.7308 111.9318 61.3546 62.7320 175.9413 47 T 4.0062 8.0224 118.5997 66.3212 68.0338 176.7277 48 A 4.0067 8.1938 122.9845 55.2542 18.2898 179.4125 49 N 4.3280 8.2147 114.7037 55.8803 38.2482 177.4821 50 I 3.7276 7.2873 121.0487 65.0143 37.0709 178.1291 51 T 4.0944 7.8402 115.7211 66.4660 68.3817 176.8851 52 I 3.7242 7.5031 121.6527 64.6573 37.0469 178.7087 53 S 4.5869 8.2136 114.9329 61.1922 62.7308 175.8837 54 S 4.3953 7.3731 112.9359 57.8788 62.6557 173.1050 55 C 4.4329 7.8497 122.3785 59.2753 32.0580 173.7191 56 S 4.2405 8.5678 121.2221 60.5977 63.4232 174.4425 57 S 4.2771 7.8927 117.0342 57.8930 62.2389 174.2165 58 L 4.3691 8.4313 126.0821 55.5551 41.4112 178.3949 *60 L 4.2329 8.0270 122.6668 55.2980 44.0010 178.5224 61 Q 4.0184 7.8505 117.0791 59.5522 28.5837 178.7776 62 D 4.3310 7.8035 118.6816 57.4548 40.8922 178.3881 63 L 3.9386 7.9545 119.8430 58.6228 41.9164 179.1628 64 L 4.0842 8.0368 118.5025 57.4607 41.6015 179.4938 65 R 3.8137 7.8909 117.7696 59.1170 29.9577 178.7834 66 E 3.9516 8.2472 118.2940 59.5497 29.5258 179.7039 67 K 3.9837 8.0823 118.3580 59.3084 32.1119 179.2465 68 L 3.9595 8.6595 121.5440 58.0852 41.9256 178.9925 69 R 3.8614 8.2235 118.5391 59.3118 29.9736 178.4148 70 A 3.9548 7.9104 120.5544 55.1269 18.3867 179.3685 71 I 3.6377 8.1145 118.8239 64.7555 37.1626 178.6372 72 L 3.9903 8.0054 119.3638 58.0406 41.4134 179.4135 73 D 4.3932 8.3596 118.8932 57.1912 40.5637 178.7660 74 N 4.3237 8.3879 117.2984 56.4001 38.5868 177.0941 75 E 3.8902 8.3049 119.9972 59.6068 29.5386 179.4992 76 I 3.6778 8.1334 119.9671 64.3212 37.2144 177.8435 77 E 3.8857 8.4288 120.0964 59.4908 29.4632 178.7794 78 I 3.6675 8.3292 120.1699 64.6141 37.1675 178.4794 79 K 3.9259 8.4363 119.4132 59.3848 31.7744 179.1814 80 R 3.8709 8.5505 119.2410 59.4720 29.9775 178.3014 81 L 3.9497 8.1798 118.8988 57.9238 41.6401 179.3842 82 L 3.9228 7.9663 118.6338 58.1260 41.6406 179.3985 83 Q 3.8897 8.2815 119.3615 59.1263 28.8035 178.4878 84 L 3.9131 8.0236 121.5873 58.0990 42.1089 178.9749 85 R 3.8680 8.0522 118.7233 59.0213 29.9891 177.8936 86 L 3.8214 8.4693 120.6381 58.5566 41.9655 178.8283 87 D 4.4101 8.0556 118.5220 57.5709 40.6361 178.3220 88 R 3.8687 7.8027 118.8632 59.0675 30.0782 178.1224 89 L 3.9048 8.3976 118.7172 58.6253 41.6536 179.0742 90 S 3.9741 8.3224 110.8657 61.8233 62.1841 175.8048 91 D 4.5964 8.4079 122.3608 57.5603 40.8870 179.3665 92 L 4.1180 7.4349 117.4278 57.6866 41.7309 178.0294 93 V 3.9033 7.5710 121.3319 63.1772 31.6489 175.4004 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 S 8.33 4.42 0.00 3.98 4.04 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 -1 N 7.94 4.17 0.00 2.81 2.83 0.00 0.00 7.03 7.24 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 A 8.74 4.04 1.23 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 E 8.92 4.07 0.00 1.81 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 2.36 2.25 0.00 3 R 8.41 4.01 0.00 1.98 1.99 0.00 3.12 0.00 0.00 3.49 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 4 H 7.83 4.40 0.00 3.18 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.93 4.02 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 6 H 8.31 4.17 0.00 3.31 3.52 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.89 3.93 0.00 1.99 1.69 1.09 0.58 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 8 L 7.97 3.95 0.00 1.84 1.95 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.62 4.49 0.00 3.95 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 10 E 8.52 3.92 0.00 2.16 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 2.24 2.27 0.00 11 Y 8.18 3.88 0.00 2.98 3.01 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 0.00 0.00 0.00 12 Q 8.64 4.09 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 13 Q 8.23 4.04 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 14 I 7.38 3.82 1.84 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.80 0.00 0.00 15 L 8.41 4.09 0.00 1.80 1.72 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.02 4.03 4.49 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 1.23 0.00 0.00 17 L 7.65 4.03 0.00 1.95 1.86 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.33 4.20 0.00 4.08 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 19 E 8.37 4.17 0.00 2.19 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 2.34 2.49 0.00 20 Q 7.77 3.87 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.39 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 *22 L 7.91 4.20 0.00 1.81 1.86 0.91 0.89 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 23 V 7.64 3.65 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 0.79 0.00 0.00 0.87 0.00 0.00 24 L 7.92 3.79 0.00 1.58 1.60 0.86 0.50 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 25 A 7.63 2.95 1.21 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 0.00 0.00 26 T 7.74 3.77 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 1.17 0.00 0.00 27 E 7.82 4.33 0.00 1.78 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 2.21 2.42 0.00 28 G 7.41 3.11 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 0.00 29 N 7.36 4.41 0.00 2.53 2.52 0.00 0.00 7.22 8.20 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 30 W 7.36 4.39 0.00 3.36 3.26 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 31 D 8.39 4.60 0.00 2.93 2.71 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 32 A 7.98 4.21 1.25 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 0.00 0.00 33 L 7.87 4.27 0.00 1.89 1.73 0.89 0.89 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 34 V 7.72 3.74 2.11 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 0.92 0.00 0.00 1.02 0.00 0.00 35 D 7.93 4.50 0.00 2.72 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 36 L 7.43 4.19 0.00 1.97 1.72 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.79 4.14 0.00 2.13 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 2.49 2.52 0.00 *39 T 7.85 4.26 4.29 0.00 0.00 0.00 0.00 0.00 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 40 Y 8.28 4.04 0.00 3.10 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 41 L 8.37 3.86 0.00 1.72 1.70 1.03 1.38 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 42 K 7.97 4.30 0.00 1.75 1.83 0.00 2.00 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.44 7.81 43 A 7.79 3.90 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 44 V 7.50 3.24 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 0.90 0.00 0.00 0.28 0.00 0.00 45 E 8.44 3.83 0.00 2.05 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 2.28 2.29 0.00 46 S 7.73 4.14 0.00 4.02 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 47 T 8.02 4.01 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 1.01 0.00 0.00 48 A 8.19 4.01 1.32 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 0.00 0.00 0.00 49 N 8.21 4.33 0.00 2.92 2.89 0.00 0.00 6.96 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 50 I 7.29 3.73 2.04 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 1.63 0.75 0.97 0.00 0.00 51 T 7.84 4.09 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 1.22 0.00 0.00 52 I 7.50 3.72 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 1.52 0.71 0.91 0.00 0.00 53 S 8.21 4.59 0.00 3.87 3.94 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 54 S 7.37 4.40 0.00 4.01 4.02 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 55 C 7.85 4.43 0.00 2.93 2.98 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 56 S 8.57 4.24 0.00 4.02 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 57 S 7.89 4.28 0.00 3.88 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 58 L 8.43 4.37 0.00 1.75 1.65 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *60 L 8.03 4.23 0.00 1.75 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.85 4.02 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 62 D 7.80 4.33 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 3.94 0.00 1.75 1.86 0.92 0.61 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 64 L 8.04 4.08 0.00 1.75 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.89 3.81 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 66 E 8.25 3.95 0.00 2.28 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 2.33 2.58 0.00 67 K 8.08 3.98 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 68 L 8.66 3.96 0.00 1.74 1.87 0.89 0.18 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 69 R 8.22 3.86 0.00 2.07 2.05 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 70 A 7.91 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.11 3.64 2.02 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 1.52 0.72 0.91 0.00 0.00 72 L 8.01 3.99 0.00 1.82 1.71 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.36 4.39 0.00 2.68 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 74 N 8.39 4.32 0.00 2.90 2.86 0.00 0.00 6.91 7.20 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 75 E 8.30 3.89 0.00 2.26 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 2.36 2.55 0.00 76 I 8.13 3.68 2.01 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 1.67 0.87 0.92 0.00 0.00 77 E 8.43 3.89 0.00 2.19 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 2.31 2.41 0.00 78 I 8.33 3.67 2.09 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 1.52 0.52 0.91 0.00 0.00 79 K 8.44 3.93 0.00 1.93 1.88 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.72 7.81 80 R 8.55 3.87 0.00 1.82 2.16 0.00 3.11 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 1.63 1.69 0.00 81 L 8.18 3.95 0.00 1.94 1.70 0.91 0.60 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 82 L 7.97 3.92 0.00 1.84 1.66 0.95 0.66 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 83 Q 8.28 3.89 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 84 L 8.02 3.91 0.00 1.94 1.82 0.91 1.05 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 85 R 8.05 3.87 0.00 1.90 1.86 0.00 3.12 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 86 L 8.47 3.82 0.00 1.69 1.72 0.63 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.06 4.41 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.80 3.87 0.00 2.02 2.07 0.00 3.16 0.00 0.00 3.15 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 89 L 8.40 3.90 0.00 1.84 1.69 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.32 3.97 0.00 3.92 4.04 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 91 D 8.41 4.60 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 92 L 7.43 4.12 0.00 1.75 1.72 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.57 3.90 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 0.79 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.