NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8456 8.3549 109.7570 45.9820 0.0000 168.6959 2 D 4.4023 8.7563 126.8251 52.6405 40.7788 172.9975 3 G 3.7050 8.5131 113.5856 46.3372 0.0000 171.2528 4 Y 4.7577 7.2900 116.6275 55.8142 41.5404 172.7702 5 L 5.0519 8.4849 120.0396 53.8726 41.2362 174.5367 6 I 4.3809 7.4764 116.0639 60.0161 41.0987 175.5842 7 M 5.0421 7.9332 118.6650 54.2166 35.2097 173.2284 8 C 5.1118 9.2355 115.5256 55.7692 44.8746 175.6324 9 K 4.6215 9.0294 119.2050 57.4125 32.4160 176.2313 10 N 4.5292 7.4844 114.5230 51.2706 39.7060 174.2612 11 C 3.9022 7.5453 117.6672 56.7130 38.5367 173.6096 12 D 4.5153 8.3470 118.8521 52.2783 42.2860 173.8964 13 P 4.5794 0.0000 0.0000 64.7887 31.6012 177.4522 14 N 4.4268 8.8268 118.2584 56.2744 38.8372 175.5533 15 T 4.5625 7.6353 103.4886 60.8725 68.8827 173.8133 16 G 4.0338 8.0463 110.9900 43.8805 0.0000 172.8881 17 S 4.3541 8.5913 118.7508 58.1989 61.7418 174.3962 18 C 4.5546 8.4311 124.7157 56.7245 39.3719 173.1332 19 D 4.8775 8.4943 122.8795 52.4243 40.6803 177.1877 20 W 4.8794 8.7394 124.2007 55.4179 28.7786 174.9508 21 K 4.5357 7.5265 118.1303 54.8279 33.7797 177.0399 22 Q 4.3670 8.4067 121.3636 56.4503 29.4722 175.4013 23 N 4.6863 8.6418 118.3243 52.2972 40.9556 174.1111 24 W 3.9116 8.3044 118.3827 56.6802 29.1522 175.5014 25 N 4.2202 8.8276 123.9370 54.5153 36.5616 173.5821 26 T 4.4977 7.1898 109.9972 60.3792 71.4813 173.8525 27 C 4.7323 8.5848 128.8844 55.8848 41.6246 170.9601 28 V 4.1056 8.2825 122.4579 61.1161 32.9514 174.8141 29 G 4.2894 8.6332 115.3006 45.8052 0.0000 172.6142 30 I 4.8845 9.3084 123.4957 58.9100 42.2924 175.1469 31 G 3.8492 9.0375 109.1198 47.0624 0.0000 170.5715 32 A 3.4840 7.7653 118.4569 53.0309 15.6143 178.2956 33 N 4.3502 8.2967 114.4180 53.0695 36.7933 174.2519 34 V 4.4316 7.3518 118.3405 62.5065 31.4071 175.3627 35 H 4.9529 8.7786 122.9374 55.1385 30.3738 172.5865 36 W 5.1978 8.5942 119.1664 55.9186 33.0148 174.1574 37 M 4.4212 8.9168 126.5970 54.9492 32.7092 175.2161 38 V 4.5992 8.0451 126.2806 61.4998 32.8760 173.9791 39 T 4.6545 8.6583 122.4708 60.3929 69.7080 174.4706 40 G 3.0908 8.5523 116.0131 44.2484 0.0000 173.2457 41 G 4.1399 7.9257 106.8306 46.8879 0.0000 176.3806 42 S 4.0984 7.5661 116.2807 61.0516 63.5143 176.8970 43 T 4.5322 7.1828 109.0455 65.4741 68.7761 174.1883 44 D 4.4590 7.0981 121.2935 58.4893 40.2343 173.7956 45 G 3.6316 8.8406 119.0741 45.7982 0.0000 173.4361 46 K 4.1281 8.1856 126.3687 54.9893 31.4713 177.1822 47 Q 4.1677 8.6293 122.6260 56.5329 29.0053 176.4092 48 G 4.3234 8.6414 105.9932 44.9346 0.0000 172.0080 49 C 5.6348 8.6172 119.9068 55.1505 42.9211 172.7233 50 A 5.1600 8.7408 121.4596 50.6815 22.9557 175.3627 51 T 4.4007 8.6253 117.4402 62.9685 69.9945 173.9972 52 I 5.0205 8.5345 127.4144 59.3184 40.3655 174.7768 53 W 5.0315 9.3251 126.6936 54.8537 31.8014 176.7407 54 E 4.2570 8.7688 124.5258 59.0348 29.4639 177.9239 55 G 3.9337 8.5853 106.6831 45.7359 0.0000 173.2036 56 S 4.3936 8.5378 117.8310 59.1370 63.0368 174.7399 57 G 3.5091 8.9283 115.7613 47.8395 0.0000 170.6230 58 C 3.8878 7.9470 108.4546 56.2858 40.0544 171.0532 59 V 4.1832 7.0926 108.9250 60.4659 35.6196 175.9881 60 G 3.7176 8.5309 106.3408 44.4655 0.0000 173.0648 61 R 4.2055 8.0623 118.7971 56.4281 31.4480 176.6530 62 S 4.7957 7.9373 115.8309 57.1168 66.2850 172.7381 63 T 4.6364 8.8482 115.3526 60.7730 70.4435 173.1193 64 T 4.8021 8.2680 121.8096 62.1061 70.2734 173.5114 65 M 4.6168 9.0630 127.6551 53.8510 34.6872 173.8680 66 C 5.2095 8.7168 123.0142 55.7994 42.6360 173.6377 67 C 5.0955 8.8970 120.5359 54.4929 47.1723 171.9878 68 P 4.5767 0.0000 0.0000 62.3463 31.7766 175.2073 69 A 4.2197 8.3015 121.4417 52.6650 19.7797 177.2248 70 N 4.3238 8.4294 119.2375 54.2216 36.4619 174.3720 71 T 4.6646 7.1539 113.9731 62.1338 73.7044 174.8298 72 C 4.8984 8.9653 127.1598 56.0985 45.9830 173.3831 73 C 4.9412 9.1496 123.7015 54.8196 43.2119 173.0383 74 N 3.8056 8.5898 123.7002 53.0566 38.9525 174.7067 75 I 3.8287 7.9972 129.0924 61.1495 37.3727 175.7493 76 N 4.8278 8.3431 124.3349 51.4955 42.1196 174.1296 77 T 4.4283 8.0424 112.6982 59.9972 71.5948 173.9154 78 G 3.8442 7.7638 111.3195 45.6734 0.0000 172.7005 79 F 5.0227 7.0203 113.7429 54.9922 41.2548 173.3406 80 Y 4.6165 8.7008 121.4024 57.4969 39.2447 173.6783 81 I 4.4582 7.7209 118.3412 59.6309 39.7331 173.8901 82 R 4.4658 9.1384 122.2011 55.9901 32.7368 176.5586 83 S 5.4717 8.2707 113.9055 58.1411 65.8783 171.7026 84 Y 5.6428 9.0530 118.2736 56.8568 41.8600 173.6188 85 R 4.9645 9.4593 119.4472 54.6206 33.8727 174.4910 86 R 4.3623 7.9159 125.3025 56.8009 30.4697 176.2021 87 V 4.2872 8.5986 114.5570 62.5756 35.9060 176.5334 *88 E 4.2364 7.9584 119.7375 56.0928 30.3696 178.2709 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 G 8.35 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 0.00 0.00 0.00 2 D 8.76 4.40 0.00 3.17 2.95 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 3 G 8.51 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 0.00 0.00 0.00 4 Y 7.29 4.76 0.00 3.05 3.37 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 5 L 8.48 5.05 0.00 2.00 1.68 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.48 4.38 1.25 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 0.27 0.42 0.18 0.00 0.00 7 M 7.93 5.04 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 8 C 9.24 5.11 0.00 2.93 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 9 K 9.03 4.62 0.00 1.77 2.01 0.00 1.88 0.00 0.00 2.44 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 10 N 7.48 4.53 0.00 2.42 2.63 0.00 0.00 5.79 7.79 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 11 C 7.55 3.90 0.00 1.38 2.49 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 12 D 8.35 4.52 0.00 2.57 2.33 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 13 P 0.00 4.58 0.00 2.31 2.14 0.00 3.40 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 14 N 8.83 4.43 0.00 2.74 3.05 0.00 0.00 7.01 8.11 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 15 T 7.64 4.56 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 16 G 8.05 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 0.00 0.00 0.00 17 S 8.59 4.35 0.00 4.04 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 18 C 8.43 4.55 0.00 2.80 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 19 D 8.49 4.88 0.00 2.99 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 20 W 8.74 4.88 0.00 3.21 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 21 K 7.53 4.54 0.00 1.82 1.80 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.41 7.81 22 Q 8.41 4.37 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 23 N 8.64 4.69 0.00 2.73 2.64 0.00 0.00 7.44 7.80 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 24 W 8.30 3.91 0.00 3.29 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 25 N 8.83 4.22 0.00 2.97 2.99 0.00 0.00 6.99 7.75 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 26 T 7.19 4.50 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 1.21 0.00 0.00 27 C 8.58 4.73 0.00 2.83 2.86 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 28 V 8.28 4.11 1.67 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 1.06 0.00 0.00 0.82 0.00 0.00 29 G 8.63 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 0.00 0.00 0.00 0.00 30 I 9.31 4.88 2.00 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 1.47 1.21 0.93 0.00 0.00 31 G 9.04 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 0.00 0.00 0.00 32 A 7.77 3.48 1.45 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 0.00 0.00 0.00 33 N 8.30 4.35 0.00 3.02 3.07 0.00 0.00 6.65 7.71 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 34 V 7.35 4.43 2.13 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 0.80 0.00 0.00 1.08 0.00 0.00 35 H 8.78 4.95 0.00 3.21 3.30 0.00 5.47 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.59 5.20 0.00 3.31 3.06 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 37 M 8.92 4.42 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 38 V 8.05 4.60 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 0.92 0.00 0.00 1.05 0.00 0.00 39 T 8.66 4.65 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 1.30 0.00 0.00 40 G 8.55 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 0.00 0.00 0.00 41 G 7.93 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.57 4.10 0.00 3.90 3.93 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 43 T 7.18 4.53 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 1.15 0.00 0.00 44 D 7.10 4.46 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 3.63 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 0.00 0.00 0.00 46 K 8.19 4.13 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.53 7.81 47 Q 8.63 4.17 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 48 G 8.64 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 0.00 0.00 0.00 0.00 49 C 8.62 5.63 0.00 2.82 2.89 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 0.00 0.00 0.00 50 A 8.74 5.16 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 51 T 8.63 4.40 3.96 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 0.21 0.00 0.00 52 I 8.53 5.02 1.81 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 1.19 0.95 0.90 0.00 0.00 53 W 9.33 5.03 0.00 3.28 3.06 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 54 E 8.77 4.26 0.00 1.66 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 2.25 2.16 0.00 55 G 8.59 3.93 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 0.00 56 S 8.54 4.39 0.00 3.88 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 57 G 8.93 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.95 3.89 0.00 1.29 2.65 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 59 V 7.09 4.18 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 0.78 0.00 0.00 0.92 0.00 0.00 60 G 8.53 3.72 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 0.00 0.00 0.00 61 R 8.06 4.21 0.00 1.59 1.01 0.00 2.93 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.35 0.00 62 S 7.94 4.80 0.00 2.94 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 63 T 8.85 4.64 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 64 T 8.27 4.80 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 1.14 0.00 0.00 65 M 9.06 4.62 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 66 C 8.72 5.21 0.00 2.85 2.95 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 67 C 8.90 5.10 0.00 2.92 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 68 P 0.00 4.58 0.00 2.22 2.07 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 69 A 8.30 4.22 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 70 N 8.43 4.32 0.00 2.89 2.88 0.00 0.00 6.72 7.57 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 71 T 7.15 4.66 4.38 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 1.24 0.00 0.00 72 C 8.97 4.90 0.00 3.01 3.04 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 73 C 9.15 4.94 0.00 2.97 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 74 N 8.59 3.81 0.00 1.44 2.22 0.00 0.00 6.93 8.00 0.00 0.00 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 I 8.00 3.83 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.35 0.77 0.00 0.00 76 N 8.34 4.83 0.00 2.44 2.52 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 77 T 8.04 4.43 3.36 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 0.94 0.00 0.00 78 G 7.76 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 0.00 0.00 0.00 79 F 7.02 5.02 0.00 3.28 2.95 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 80 Y 8.70 4.62 0.00 3.02 2.95 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 81 I 7.72 4.46 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.92 0.00 0.00 82 R 9.14 4.47 0.00 1.83 1.84 0.00 3.24 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.80 0.00 83 S 8.27 5.47 0.00 3.88 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 84 Y 9.05 5.64 0.00 3.15 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 85 R 9.46 4.96 0.00 1.84 2.02 0.00 3.40 0.00 0.00 3.20 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 86 R 7.92 4.36 0.00 1.35 1.52 0.00 3.50 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 87 V 8.60 4.29 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 0.80 0.00 0.00 0.94 0.00 0.00 *88 E 7.96 4.24 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 2.29 2.78 0.00 * Residues marked with a * may have inaccurate shift predictions.