NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 5.3353 8.3981 119.9478 57.1259 35.0600 173.9729 4 I 4.5542 8.0160 114.0955 58.4402 40.7735 172.7500 5 R 5.7350 9.2775 129.2040 54.3130 30.8678 175.3327 6 I 4.7515 8.4158 119.6974 58.6845 40.4037 174.7598 7 K 5.0767 8.4688 125.6201 54.7841 35.7700 174.5981 8 L 5.2564 8.8708 123.3470 53.0117 45.9295 175.9054 9 R 5.2517 8.1692 120.2141 54.1626 32.7942 173.9541 10 G 4.0648 8.3336 112.0313 44.3820 0.0000 171.6326 11 F 5.8940 8.9440 116.3932 56.4361 41.5537 175.0870 12 D 4.9437 8.0391 119.6069 52.4496 42.8186 176.2844 13 H 4.1785 8.7526 123.2081 58.7593 28.6894 177.7972 14 K 3.8994 7.6167 120.5783 58.9686 31.7418 179.4858 15 T 3.9137 8.2752 116.4140 66.5402 68.5320 176.8930 16 L 3.9400 7.6666 120.3686 58.0265 41.4992 179.4073 17 D 4.4517 8.4195 118.1856 56.5183 40.4740 178.7207 18 A 4.0772 7.5537 122.0105 55.1561 18.6513 179.7000 19 S 4.2029 8.6489 111.9005 60.6170 63.1870 176.6050 20 A 4.1188 7.9974 124.5313 55.1292 17.9553 179.2059 21 Q 4.1015 7.8043 116.7887 57.8994 29.0736 178.1434 22 K 3.8374 7.7053 120.7035 59.8353 32.2625 178.0191 23 I 4.1413 7.4191 116.7410 62.5324 37.0869 177.5937 24 V 3.8492 7.5207 119.2969 64.9611 31.4413 177.2976 25 E 4.1405 7.7081 117.9713 58.7905 29.4508 179.7020 26 A 4.6958 7.5525 115.9228 51.9022 18.6156 177.6041 27 A 4.4545 8.8905 123.8450 55.4514 22.2304 179.5195 28 R 3.9209 7.6877 112.7997 59.5940 30.1127 178.6090 29 R 4.1733 7.9228 111.4643 57.7262 30.2453 176.9348 30 S 4.7665 7.5281 113.1349 57.3495 63.9384 173.6700 31 G 4.6448 7.8408 108.0657 47.0728 0.0000 173.2614 32 A 4.2263 8.2284 123.6383 51.6363 19.1332 178.4472 33 Q 3.9246 8.5002 119.9396 57.1342 29.4936 172.8131 34 V 3.4798 7.5640 125.0463 62.2714 33.2414 172.3108 35 S 4.1447 10.6493 119.0553 58.3943 61.6223 174.5380 36 G 3.8565 7.8557 110.5976 44.4034 0.0000 170.9793 37 P 5.0174 0.0000 0.0000 61.5813 32.0336 175.1330 38 I 4.4087 8.8967 120.2033 58.6440 39.7756 173.4783 39 P 5.1626 0.0000 0.0000 61.6405 30.8762 175.3610 40 L 4.3223 8.2510 127.1563 53.7900 42.3405 175.5031 41 P 4.2248 0.0000 0.0000 63.8442 31.4207 176.1732 42 T 4.3800 8.2385 117.1196 63.4588 70.0451 173.9525 43 R 4.4632 8.4182 122.9130 54.7468 32.4848 174.2659 44 V 4.3583 8.3655 126.8966 61.7113 33.1617 175.0233 45 R 4.3802 8.4329 127.8340 54.6729 32.2502 174.3941 46 R 4.8779 8.2685 125.4056 55.2049 32.0581 176.1352 47 F 4.8202 10.3915 120.4835 56.0594 42.4248 174.0877 48 T 5.0792 8.8304 120.5055 61.6818 70.7809 173.8823 49 V 4.6444 7.9984 125.0821 59.5082 35.3935 175.2450 50 I 4.0609 8.3404 123.2256 61.2418 37.6610 176.1786 51 R 4.0310 8.3304 124.7150 59.3745 30.1123 177.8627 52 G 3.9360 7.7646 105.0401 44.3931 0.0000 171.9598 53 P 4.4642 0.0000 0.0000 64.3761 31.8590 176.4787 54 F 4.9133 7.8243 120.3642 57.3369 42.9035 175.3602 55 K 3.0647 8.8520 126.4008 57.4110 32.9926 174.6171 56 H 3.9942 8.3850 104.7675 56.8450 26.0352 176.1080 57 K 4.2240 8.1501 113.8886 57.7694 31.8363 175.9484 58 D 4.8853 8.3078 115.1505 54.0333 41.1526 176.6741 59 S 4.2610 7.5874 113.2740 57.0420 63.7549 174.5391 60 R 4.6724 7.3298 125.4908 53.4954 28.5224 172.0547 61 E 3.4458 7.5459 122.3988 55.8885 31.1031 173.0183 62 H 5.2714 8.2874 121.7361 54.2292 30.4486 174.1096 63 F 5.4993 9.3051 120.6251 55.8097 42.4754 173.9468 64 E 4.7763 9.1149 119.8874 54.5346 33.2160 175.1580 65 L 4.4608 8.6833 121.8415 53.5897 45.0277 175.2779 66 R 4.6470 8.4026 126.5044 55.2554 31.8829 176.1852 67 T 5.4487 8.4634 122.6246 61.9775 68.8941 174.3192 68 H 4.6528 8.7265 123.7023 55.6668 30.5696 174.0821 69 N 5.5456 8.7431 117.3955 51.6429 42.3191 173.5218 70 R 4.8112 9.2534 122.2160 54.2801 34.1842 174.4716 71 L 4.9967 8.8093 123.8591 53.4781 45.9356 175.2181 72 V 5.0051 8.5358 124.4910 60.9953 35.4785 173.1440 73 D 5.8500 8.5058 125.5080 51.7265 44.7627 174.5740 74 I 4.3558 8.3647 125.3073 59.1629 38.1300 176.7239 75 I 4.1356 8.0527 124.3595 58.8676 35.0781 174.3342 76 N 4.7080 7.7837 127.3726 52.6282 41.0079 175.9789 77 P 4.7170 0.0000 0.0000 62.5814 30.4741 176.1228 78 N 4.0122 9.6456 115.1848 54.9307 38.7817 176.1657 79 R 4.1303 8.5230 120.9095 56.9310 30.8524 177.1303 80 K 5.1107 7.7208 117.1932 57.3568 33.2846 177.6639 81 T 4.4915 7.8273 114.7920 65.6721 68.6576 176.7224 82 I 3.7730 7.1941 121.9325 63.7022 38.1274 177.5937 83 E 4.1350 8.1375 119.9188 57.6979 29.0283 178.8978 84 Q 4.0251 9.0853 121.6342 59.5564 31.2581 179.8840 85 L 3.8782 8.6908 116.3201 55.9570 40.0406 182.3839 86 M 2.7532 5.8600 118.9832 57.4671 36.6967 176.1856 87 T 4.7394 8.0679 119.2338 61.9565 69.2295 174.0502 88 L 4.8556 7.5340 117.9803 54.1090 44.0034 176.9458 89 D 4.5921 8.1718 117.8773 53.6428 39.9087 175.8869 90 L 4.7229 8.1605 117.9899 53.8652 44.9932 175.2666 91 P 4.4419 0.0000 0.0000 63.0243 31.9824 176.0207 92 T 4.2565 8.5494 116.7359 64.7141 70.0258 175.9104 93 G 4.0985 7.6521 108.8613 44.8596 0.0000 175.2906 94 V 4.1895 7.2287 118.3366 61.2526 33.9676 174.6845 95 E 4.2950 8.6315 129.7657 56.1087 30.9811 175.3990 96 I 4.9317 8.1205 123.3658 59.5748 41.3192 174.5392 97 E 4.9434 9.1435 124.7842 54.4788 32.7543 175.0702 98 I 4.8429 7.8720 115.3190 59.1021 40.8121 174.0993 99 K 4.2454 7.9417 125.6758 57.7934 36.6826 173.5944 100 T 4.9360 8.1822 115.4216 58.7645 72.5240 174.0084 *101 V 3.9936 8.2672 114.4633 62.8624 32.3498 171.3827 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 3 K 8.40 5.34 0.00 1.82 2.01 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.24 7.81 4 I 8.02 4.55 1.93 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 1.40 1.12 0.93 0.00 0.00 5 R 9.28 5.73 0.00 1.88 1.87 0.00 3.08 0.00 0.00 3.31 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 6 I 8.42 4.75 1.89 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 1.11 0.48 0.97 0.00 0.00 7 K 8.47 5.08 0.00 1.87 1.66 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.38 7.81 8 L 8.87 5.26 0.00 1.56 1.48 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.17 5.25 0.00 1.77 2.06 0.00 3.08 0.00 0.00 3.26 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 10 G 8.33 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 11 F 8.94 5.89 0.00 2.94 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 12 D 8.04 4.94 0.00 2.70 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 13 H 8.75 4.18 0.00 3.17 3.09 0.00 5.51 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 14 K 7.62 3.90 0.00 1.61 1.82 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.42 7.81 15 T 8.28 3.91 4.36 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 1.19 0.00 0.00 16 L 7.67 3.94 0.00 1.70 1.73 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.42 4.45 0.00 2.72 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 18 A 7.55 4.08 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 19 S 8.65 4.20 0.00 3.80 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 20 A 8.00 4.12 1.43 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 0.00 0.00 21 Q 7.80 4.10 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 22 K 7.71 3.84 0.00 1.92 1.94 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 23 I 7.42 4.14 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 1.40 0.81 0.91 0.00 0.00 24 V 7.52 3.85 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 1.08 0.00 0.00 1.02 0.00 0.00 25 E 7.71 4.14 0.00 1.89 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 2.61 2.46 0.00 26 A 7.55 4.70 1.35 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 0.00 0.00 0.00 27 A 8.89 4.45 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 28 R 7.69 3.92 0.00 1.85 2.03 0.00 3.35 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 29 R 7.92 4.17 0.00 1.92 2.06 0.00 2.97 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 30 S 7.53 4.77 0.00 4.18 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 31 G 7.84 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.23 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 33 Q 8.50 3.92 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 5.88 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 34 V 7.56 3.48 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 0.91 0.00 0.00 0.98 0.00 0.00 35 S 10.65 4.14 0.00 3.90 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 36 G 7.86 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 0.00 0.00 0.00 37 P 0.00 5.02 0.00 2.09 2.10 0.00 3.75 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 1.94 1.95 0.00 38 I 8.90 4.41 1.88 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 1.44 0.88 0.91 0.00 0.00 39 P 0.00 5.16 0.00 2.11 2.16 0.00 3.77 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 1.98 2.00 0.00 40 L 8.25 4.32 0.00 1.52 1.65 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.22 0.00 2.17 2.09 0.00 3.77 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 2.00 2.02 0.00 42 T 8.24 4.38 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 1.13 0.00 0.00 43 R 8.42 4.46 0.00 1.82 1.78 0.00 3.09 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 44 V 8.37 4.36 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 0.78 0.00 0.00 0.91 0.00 0.00 45 R 8.43 4.38 0.00 1.78 1.72 0.00 3.28 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.35 0.00 46 R 8.27 4.88 0.00 1.57 1.70 0.00 3.07 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 47 F 10.39 4.82 0.00 3.26 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 48 T 8.83 5.08 4.28 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 1.26 0.00 0.00 49 V 8.00 4.64 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 0.95 0.00 0.00 1.00 0.00 0.00 50 I 8.34 4.06 1.88 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 1.40 0.54 1.02 0.00 0.00 51 R 8.33 4.03 0.00 1.83 2.00 0.00 3.13 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 52 G 7.76 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 0.00 0.00 0.00 53 P 0.00 4.46 0.00 2.26 2.25 0.00 3.79 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 2.09 2.00 0.00 54 F 7.82 4.91 0.00 2.83 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 55 K 8.85 3.06 0.00 1.61 0.82 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.12 0.95 7.81 56 H 8.38 3.99 0.00 3.36 3.37 0.00 5.63 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.15 4.22 0.00 1.62 1.76 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.50 7.81 58 D 8.31 4.89 0.00 2.64 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 59 S 7.59 4.26 0.00 3.93 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 60 R 7.33 4.67 0.00 1.87 2.00 0.00 3.55 0.00 0.00 3.77 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 61 E 7.55 3.45 0.00 2.00 1.62 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 1.47 2.04 0.00 62 H 8.29 5.27 0.00 2.99 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.31 5.50 0.00 3.27 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 64 E 9.11 4.78 0.00 1.94 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 2.24 2.31 0.00 65 L 8.68 4.46 0.00 1.85 1.59 0.08 0.96 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 66 R 8.40 4.65 0.00 1.77 1.75 0.00 3.45 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 67 T 8.46 5.45 4.34 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 1.29 0.00 0.00 68 H 8.73 4.65 0.00 3.16 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.74 5.55 0.00 2.82 2.68 0.00 0.00 6.72 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 70 R 9.25 4.81 0.00 1.65 1.78 0.00 3.24 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 71 L 8.81 5.00 0.00 1.64 1.56 0.92 0.66 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 72 V 8.54 5.01 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 1.14 0.00 0.00 0.97 0.00 0.00 73 D 8.51 5.85 0.00 2.58 2.51 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 74 I 8.36 4.36 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 1.40 0.72 0.91 0.00 0.00 75 I 8.05 4.14 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 1.49 0.54 0.91 0.00 0.00 76 N 7.78 4.71 0.00 2.88 2.99 0.00 0.00 6.73 8.03 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 77 P 0.00 4.72 0.00 2.17 2.15 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 78 N 9.65 4.01 0.00 2.78 2.81 0.00 0.00 7.05 7.54 0.00 0.00 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 R 8.52 4.13 0.00 1.79 1.97 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 80 K 7.72 5.11 0.00 1.69 1.85 0.00 1.48 0.00 0.00 2.54 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.57 7.81 81 T 7.83 4.49 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 1.28 0.00 0.00 82 I 7.19 3.77 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 1.29 1.35 0.91 0.00 0.00 83 E 8.14 4.13 0.00 2.26 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 2.33 2.33 0.00 84 Q 9.09 4.03 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 85 L 8.69 3.88 0.00 1.70 1.44 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 86 M 5.86 2.75 0.00 2.02 2.66 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 87 T 8.07 4.74 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 1.21 0.00 0.00 88 L 7.53 4.86 0.00 1.61 1.58 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.17 4.59 0.00 2.77 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 90 L 8.16 4.72 0.00 1.58 1.67 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.44 0.00 2.15 2.03 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 92 T 8.55 4.26 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 1.20 0.00 0.00 93 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 94 V 7.23 4.19 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 0.74 0.00 0.00 0.90 0.00 0.00 95 E 8.63 4.29 0.00 1.95 1.72 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 2.27 2.25 0.00 96 I 8.12 4.93 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.94 0.00 0.00 97 E 9.14 4.94 0.00 1.91 1.80 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 2.20 2.35 0.00 98 I 7.87 4.84 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 1.22 0.66 0.91 0.00 0.00 99 K 7.94 4.25 0.00 1.89 1.70 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.37 7.81 100 T 8.18 4.94 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 1.21 0.00 0.00 *101 V 8.27 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.