NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3518 8.1733 120.0850 56.2932 35.0262 175.3607 4 I 4.4119 7.2061 119.0145 59.8457 38.2070 173.6976 5 R 5.9695 9.6323 129.1229 54.3251 32.8021 174.6145 6 I 5.1754 8.1795 117.0327 59.3668 41.0903 174.3987 7 K 4.8013 9.5469 126.0970 55.2129 35.4190 176.0621 8 L 4.7074 8.2890 122.0405 53.9254 44.3541 175.2978 9 R 5.1742 7.5299 131.7680 56.6670 32.0529 173.4111 10 G 3.6104 8.5765 109.1670 45.1894 0.0000 170.4748 11 F 5.1135 7.8662 112.9406 59.0195 42.2882 174.5482 12 D 4.4645 8.0706 125.8856 54.8574 40.5650 176.9855 13 H 4.3631 8.7216 120.2683 56.7623 28.1863 176.8476 14 K 3.8165 7.6084 123.0355 59.8032 32.4143 177.9350 15 T 4.1075 8.0003 110.2210 63.8340 69.1155 176.6298 16 L 3.8807 7.6103 124.5827 57.1399 42.2964 178.6267 17 D 4.3073 7.7164 117.1228 57.4746 41.1853 177.9901 18 A 3.9670 8.2594 121.7018 55.1957 18.1661 179.4175 19 S 4.1734 8.2182 111.6059 61.7356 62.5390 176.6944 20 A 3.9692 8.1455 123.8724 55.1568 17.9359 179.1384 21 Q 3.8628 8.3735 118.4030 59.4055 28.8100 178.8526 22 K 3.9992 8.6034 120.8326 59.2225 32.4782 178.5736 23 I 4.4340 7.7514 120.2478 60.4214 36.7942 176.3248 24 V 4.6009 7.3517 118.8911 64.5688 38.1704 175.7794 25 E 3.9575 7.8299 116.1558 58.4250 29.3275 177.5736 26 A 4.5119 7.9781 119.7713 51.8999 20.0825 177.7508 27 A 4.4194 7.7347 117.1797 52.2638 20.1594 178.9098 28 R 4.1771 7.9120 114.9718 58.7424 30.6752 178.8393 29 R 3.9394 7.9676 116.8973 58.8341 30.1709 176.7675 30 S 4.6559 7.5570 109.1549 58.1674 64.2648 172.7515 31 G 4.1700 7.7690 109.1517 44.2906 0.0000 177.5590 32 A 3.9449 8.8144 126.0085 51.1752 19.0814 177.6206 33 Q 4.4471 8.3616 118.9258 55.7712 30.6434 174.8990 34 V 4.9230 7.9540 118.7917 61.5041 35.2355 174.4476 35 S 4.5277 8.8056 120.1413 57.3307 63.3946 173.9129 36 G 3.8391 8.5137 113.4975 42.5377 0.0000 169.6692 37 P 4.4088 0.0000 0.0000 62.7493 32.1752 175.5687 38 I 4.2213 9.2034 120.5363 59.1346 39.1855 173.5839 39 P 5.0203 0.0000 0.0000 61.4555 30.9183 175.7713 40 L 4.4953 8.2635 126.9116 54.1735 41.8947 174.8707 41 P 4.3385 0.0000 0.0000 63.7788 31.4458 175.3117 42 T 4.5681 8.1587 115.6443 62.2749 70.3444 174.3084 43 R 4.5108 8.1854 123.9053 55.0752 31.8849 175.6605 44 V 4.5892 8.3875 122.6717 61.1550 34.7569 175.3214 45 R 4.5661 8.2234 125.0669 54.6807 31.6756 174.4408 46 R 4.6831 8.3081 122.5674 54.2522 32.5688 176.0556 47 F 4.9665 7.7532 116.9369 56.1398 41.4013 173.5817 48 T 4.8220 8.7065 119.5038 62.5479 70.0784 174.1300 49 V 4.4978 8.1186 122.4469 61.5460 35.7878 174.4077 50 I 4.2043 8.5087 127.1850 60.7682 36.0472 176.2465 51 R 3.6317 8.0637 123.2830 59.4681 30.5987 177.2756 52 G 3.9824 7.8703 108.6483 45.8612 0.0000 170.6439 53 P 4.8165 0.0000 0.0000 62.1661 31.5926 175.9204 54 F 5.0702 7.7763 117.6100 58.7699 41.1719 174.9492 55 K 4.1402 8.0220 129.8159 56.2254 35.3161 176.9158 56 H 4.7240 8.4013 122.1281 54.3187 30.6912 175.8644 57 K 3.7940 7.9329 118.8481 58.7699 32.9100 176.9431 58 D 4.7142 8.0971 119.1364 52.6988 42.8193 176.0666 59 S 3.8613 8.7595 110.5056 59.0445 62.1016 173.9332 60 R 4.2495 7.1937 116.2492 57.2077 29.6476 174.6732 61 E 4.5872 9.5832 117.9883 55.8624 33.2512 174.8711 62 H 5.0977 8.7111 121.9786 53.8244 31.9087 172.7366 63 F 5.1699 8.4586 118.3149 55.6174 42.7941 173.5496 64 E 4.9320 8.4020 116.0247 53.5736 32.4769 176.0349 65 L 4.5386 7.7235 120.4545 53.3981 42.3934 173.8320 66 R 4.0310 7.9675 118.2082 56.9302 31.4188 177.5916 67 T 4.8589 8.6141 122.8491 62.3983 68.9484 173.4693 68 H 4.6047 8.7162 123.4507 55.6151 30.1909 174.0336 69 N 5.5943 8.5692 118.6437 51.8870 42.1808 173.8930 70 R 4.6846 8.4654 119.1860 55.4432 34.1646 173.4554 71 L 4.9996 9.0242 128.3901 53.7275 45.1606 175.0004 72 V 4.7797 7.9513 121.2422 62.3785 35.7296 172.0669 73 D 5.0212 8.5978 124.9176 52.9772 44.8817 174.7357 74 I 4.4136 7.9941 117.4989 59.9955 38.7977 176.7301 75 I 3.5748 8.1191 118.3678 63.2488 37.8439 175.2784 76 N 4.8647 7.7727 119.4702 49.9528 40.5378 173.1007 77 P 4.5213 0.0000 0.0000 62.3154 30.2273 175.6290 78 N 4.6756 8.1851 123.5793 53.1233 40.8293 175.9733 79 R 4.0295 8.4744 122.4246 59.0269 30.2825 178.7285 80 K 3.9866 8.1089 120.0401 59.2327 32.2636 178.1546 81 T 3.9104 7.9551 109.1869 65.4018 68.5433 175.6436 82 I 3.5872 7.4081 122.7306 63.9233 37.0956 177.2542 83 E 3.9153 7.8460 119.5949 60.2246 29.4365 178.2449 84 Q 4.0275 8.4053 116.9649 58.4355 28.2313 178.8445 85 L 3.6743 8.0611 122.3064 58.8663 42.5141 177.7619 86 M 4.0344 8.0740 120.6179 58.5056 32.4518 177.6910 87 T 4.3502 7.5716 105.5634 61.5720 70.5185 174.4384 88 L 4.3011 8.0565 126.7470 54.3662 41.1340 178.2446 89 D 4.5804 7.6173 119.1491 53.7563 40.5917 177.1089 90 L 4.6878 7.9755 129.2099 52.9207 42.1395 175.9176 91 P 4.6452 0.0000 0.0000 61.2777 32.0098 175.7271 92 T 3.9474 8.6795 118.4844 64.6929 67.3311 175.4116 93 G 4.1105 7.7577 105.9114 45.0354 0.0000 172.0878 94 V 4.1693 7.6350 119.3513 61.5573 33.4519 174.5537 95 E 4.8522 8.3105 122.8917 54.4319 33.1499 173.6701 96 I 5.5406 8.2147 118.6216 58.2076 40.6479 174.0918 97 E 4.8324 8.8209 124.3702 54.5870 32.6522 174.8115 98 I 5.1159 8.2535 122.7710 59.9358 40.8871 174.9621 99 K 4.5949 9.4322 124.9608 56.2721 36.7670 175.7720 100 T 5.6225 8.2672 109.3303 62.0911 69.2276 174.5806 *101 V 3.9054 7.8882 126.1919 61.7280 32.3498 175.5279 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 8.17 4.35 0.00 1.73 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.71 7.81 4 I 7.21 4.41 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 1.11 0.98 0.98 0.00 0.00 5 R 9.63 5.97 0.00 1.79 1.76 0.00 3.08 0.00 0.00 3.41 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 6 I 8.18 5.18 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 1.01 0.91 0.00 0.00 7 K 9.55 4.80 0.00 1.69 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.54 7.81 8 L 8.29 4.71 0.00 1.73 1.54 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.53 5.17 0.00 1.56 1.66 0.00 3.07 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.35 0.00 10 G 8.58 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 5.11 0.00 3.03 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 12 D 8.07 4.46 0.00 2.79 2.64 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 13 H 8.72 4.36 0.00 3.22 2.90 0.00 5.45 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.61 3.82 0.00 1.63 1.80 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.42 7.81 15 T 8.00 4.11 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 16 L 7.61 3.88 0.00 1.70 1.73 0.93 1.33 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 17 D 7.72 4.31 0.00 3.14 2.64 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 18 A 8.26 3.97 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 19 S 8.22 4.17 0.00 4.05 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 20 A 8.15 3.97 1.42 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 0.00 0.00 21 Q 8.37 3.86 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 22 K 8.60 4.00 0.00 1.87 1.97 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.63 7.81 23 I 7.75 4.43 1.97 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 0.86 0.91 0.00 0.00 24 V 7.35 4.60 2.20 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 0.95 0.00 0.00 0.93 0.00 0.00 25 E 7.83 3.96 0.00 2.04 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 2.35 2.43 0.00 26 A 7.98 4.51 1.29 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 27 A 7.73 4.42 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 28 R 7.91 4.18 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 29 R 7.97 3.94 0.00 1.77 1.96 0.00 3.22 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 1.61 1.62 0.00 30 S 7.56 4.66 0.00 4.20 4.05 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 0.00 0.00 0.00 31 G 7.77 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.45 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 34 V 7.95 4.92 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 0.89 0.00 0.00 0.93 0.00 0.00 35 S 8.81 4.53 0.00 3.93 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 36 G 8.51 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 37 P 0.00 4.41 0.00 1.95 2.09 0.00 3.67 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 2.04 2.12 0.00 38 I 9.20 4.22 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 1.47 1.03 0.99 0.00 0.00 39 P 0.00 5.02 0.00 2.11 2.16 0.00 3.77 0.00 0.00 3.91 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 40 L 8.26 4.50 0.00 1.68 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.34 0.00 2.19 2.12 0.00 3.75 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 8.16 4.57 4.19 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 0.00 0.00 1.11 0.00 0.00 43 R 8.19 4.51 0.00 1.83 1.86 0.00 3.23 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 44 V 8.39 4.59 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 0.75 0.00 0.00 0.89 0.00 0.00 45 R 8.22 4.57 0.00 1.88 1.99 0.00 3.50 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 46 R 8.31 4.68 0.00 1.59 1.67 0.00 3.13 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 47 F 7.75 4.97 0.00 3.18 3.20 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 0.00 48 T 8.71 4.82 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 1.06 0.00 0.00 49 V 8.12 4.50 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 0.99 0.00 0.00 1.05 0.00 0.00 50 I 8.51 4.20 1.89 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 1.42 0.93 0.93 0.00 0.00 51 R 8.06 3.63 0.00 1.80 1.93 0.00 3.26 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 52 G 7.87 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 0.00 0.00 0.00 53 P 0.00 4.82 0.00 2.23 2.19 0.00 3.81 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 2.02 1.97 0.00 54 F 7.78 5.07 0.00 2.82 2.88 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 55 K 8.02 4.14 0.00 1.10 1.31 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.83 0.36 7.81 56 H 8.40 4.72 0.00 3.14 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.93 3.79 0.00 1.70 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 58 D 8.10 4.71 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 3.86 0.00 4.06 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 0.00 60 R 7.19 4.25 0.00 2.15 2.00 0.00 3.01 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 61 E 9.58 4.59 0.00 1.93 1.64 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 1.55 2.00 0.00 62 H 8.71 5.10 0.00 3.00 3.18 0.00 5.54 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 8.46 5.17 0.00 2.79 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 64 E 8.40 4.93 0.00 1.78 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 2.11 2.04 0.00 65 L 7.72 4.54 0.00 1.78 1.68 0.50 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.97 4.03 0.00 1.74 1.73 0.00 3.25 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 67 T 8.61 4.86 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 1.27 0.00 0.00 68 H 8.72 4.60 0.00 3.21 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.57 5.59 0.00 2.58 2.69 0.00 0.00 6.73 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 8.47 4.68 0.00 1.91 1.73 0.00 3.04 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 71 L 9.02 5.00 0.00 1.73 1.46 1.03 0.70 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 72 V 7.95 4.78 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 0.83 0.00 0.00 0.93 0.00 0.00 73 D 8.60 5.02 0.00 2.55 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.41 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 1.35 1.11 0.91 0.00 0.00 75 I 8.12 3.57 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 1.46 0.59 0.91 0.00 0.00 76 N 7.77 4.86 0.00 2.65 2.72 0.00 0.00 6.99 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 77 P 0.00 4.52 0.00 2.22 2.08 0.00 3.81 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 1.98 1.98 0.00 78 N 8.19 4.68 0.00 2.83 2.76 0.00 0.00 7.03 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 79 R 8.47 4.03 0.00 1.78 1.99 0.00 3.38 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 80 K 8.11 3.99 0.00 1.86 1.86 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.58 7.81 81 T 7.96 3.91 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 1.27 0.00 0.00 82 I 7.41 3.59 2.05 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 1.71 1.33 0.91 0.00 0.00 83 E 7.85 3.92 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 2.31 2.38 0.00 84 Q 8.41 4.03 0.00 2.44 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 85 L 8.06 3.67 0.00 1.61 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.07 4.03 0.00 2.06 2.13 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 2.62 2.56 0.00 87 T 7.57 4.35 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 1.25 0.00 0.00 88 L 8.06 4.30 0.00 1.67 1.66 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.62 4.58 0.00 2.70 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 90 L 7.98 4.69 0.00 1.51 1.53 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.65 0.00 2.36 2.05 0.00 3.81 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.68 3.95 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 93 G 7.76 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 0.00 0.00 0.00 94 V 7.64 4.17 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 0.80 0.00 0.00 0.91 0.00 0.00 95 E 8.31 4.85 0.00 1.99 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 2.21 2.32 0.00 96 I 8.21 5.54 1.89 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 1.34 0.66 0.91 0.00 0.00 97 E 8.82 4.83 0.00 1.87 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 2.27 2.23 0.00 98 I 8.25 5.12 1.87 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 1.34 0.47 0.94 0.00 0.00 99 K 9.43 4.59 0.00 1.55 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.52 7.81 100 T 8.27 5.62 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 7.89 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.