NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3461 8.2393 119.0601 55.2071 31.7989 175.6627 8 P 2.9700 0.0000 0.0000 60.9435 33.2176 174.2718 9 N 4.9805 7.9085 117.8298 52.1862 43.3147 175.3282 10 H 4.4726 8.9952 119.8062 58.5438 30.2042 175.3101 11 T 5.2152 8.8056 115.3641 61.8676 70.7865 173.9211 12 I 4.9464 8.5344 118.8519 59.3116 40.5139 173.7459 13 Y 4.1903 8.8083 127.7283 56.4975 39.9961 173.8647 14 I 4.7200 7.7260 128.3877 59.6279 40.0327 174.8369 15 N 5.6033 8.3405 123.6800 51.1220 41.0003 173.9783 16 N 3.9740 8.7920 115.6748 54.9647 37.4888 174.8036 17 L 4.4475 7.7490 114.2573 53.2570 42.7509 176.3071 18 N 4.4564 8.5923 120.0895 53.6424 39.4039 175.1373 19 E 4.1155 8.7334 125.4504 58.7603 29.9425 178.5376 20 K 4.2331 7.8345 116.5435 57.4067 32.2218 176.6733 21 I 4.1443 6.7453 119.8714 59.1984 38.5356 176.4935 22 K 4.1632 8.3883 124.7086 56.4815 34.7440 177.8203 23 K 3.9541 8.4734 122.0127 60.1743 32.2464 178.1667 24 D 4.3288 8.0198 117.5448 57.0134 41.3153 177.4399 25 E 3.9527 8.1925 119.4570 59.3803 29.6432 178.3885 26 L 4.1448 7.9593 120.1156 58.2289 42.0456 178.8340 27 K 4.0146 8.0805 119.2875 59.4859 31.8978 178.7984 28 K 4.2535 8.1999 117.8312 59.1070 31.8786 179.2237 29 S 4.4820 8.5426 115.8341 61.5255 62.9147 176.5805 30 L 4.1664 8.3983 121.7477 57.7098 40.8588 178.7197 31 H 4.3215 8.1499 116.5326 58.5679 29.5711 177.0399 32 A 4.2890 7.6995 121.2287 54.3038 18.0152 178.5669 33 I 4.0846 7.6732 117.1424 62.7907 38.4009 177.0557 34 F 4.8957 8.0817 116.0623 58.1008 38.3604 177.5612 35 S 4.3209 7.7347 116.5866 60.8895 62.7151 176.4834 36 R 4.0973 7.1584 118.4993 58.6188 29.5568 177.9623 37 F 4.2590 7.5681 116.9913 58.0332 39.0712 175.3173 38 G 4.2126 6.9901 108.2021 44.8278 0.0000 171.4361 39 Q 4.2968 7.9650 117.4162 55.5952 29.4425 175.1475 40 I 4.2068 8.1329 123.1338 60.5335 38.4366 175.6788 41 L 4.2581 9.0982 126.3872 57.4146 41.9577 176.6859 42 D 4.6729 7.6763 115.9909 53.1485 44.9210 173.6237 43 I 4.8890 8.2505 123.6663 59.5759 39.8844 175.0055 44 L 4.5376 8.8418 128.6541 53.5406 42.9228 176.1091 45 V 4.8268 8.4188 123.6942 61.0930 34.1084 174.4833 46 S 4.7893 8.8145 120.5636 56.7252 65.6226 172.9642 47 R 4.5745 8.3661 121.0490 55.7263 30.7235 175.6105 48 S 4.4124 7.7758 111.9684 57.4579 63.7840 174.6625 49 L 3.9344 8.5676 123.0967 58.0438 41.6548 178.2258 50 K 4.3586 7.9701 115.3260 57.3429 32.7432 176.9770 51 M 4.8100 7.9416 116.8541 54.7048 31.6203 175.8650 52 R 4.2815 7.9177 116.3085 56.7731 30.8408 176.7809 53 G 3.8675 8.8389 106.7587 46.4014 0.0000 172.6625 54 Q 4.9478 7.4734 113.8908 53.7988 32.5414 174.7052 55 A 4.8346 8.4563 122.7225 50.5745 23.5023 175.4280 56 F 4.9290 9.0358 119.4250 55.5979 41.2870 174.2545 57 V 3.8864 8.0343 124.9575 62.0816 32.6617 174.7818 58 I 4.5578 8.5969 130.4186 59.9969 38.2979 175.0691 59 F 5.0342 8.5224 126.0028 56.0719 39.9061 176.7412 60 K 4.1562 8.6717 122.9907 58.8485 32.1696 177.1797 61 E 4.8486 7.9689 117.2546 54.2053 32.0907 177.1198 62 V 3.5424 8.2654 121.5271 65.9835 31.5209 178.1039 63 S 4.0526 8.1564 112.5795 61.8925 61.8079 176.4427 64 S 4.0978 7.8018 116.8406 61.2091 62.4402 176.5403 65 A 3.5724 7.4852 123.1771 55.1537 18.2793 179.6395 66 T 3.9534 8.1166 115.9954 66.3444 68.5402 176.7463 67 N 4.2819 7.8877 117.8843 56.1103 38.5572 177.4269 68 A 2.5800 7.2654 122.1980 54.1871 18.1130 179.4777 69 L 3.6905 7.4529 117.9296 58.3981 42.2641 179.1511 70 R 3.9918 7.5370 116.5348 59.0845 29.8390 178.8861 71 S 4.3996 7.8312 114.5915 61.3367 63.2692 175.7658 72 M 4.3700 7.6101 118.9941 54.2258 31.6859 175.8077 73 Q 4.1206 7.0278 122.0536 57.3557 29.3814 176.5686 74 G 3.9476 9.1205 113.9801 45.2921 0.0000 173.1455 75 F 4.0476 7.9820 123.1185 57.3405 39.6512 172.4178 76 P 4.5699 0.0000 0.0000 62.4638 30.7767 175.7743 77 F 4.7358 9.5715 127.2262 57.2531 41.5040 174.2328 78 Y 3.1913 8.5924 127.6552 59.4921 34.6941 170.5039 79 D 4.5821 8.4297 114.0468 54.6687 38.9385 174.2955 80 K 4.8225 7.6266 117.8132 53.8301 36.4289 174.0468 81 P 4.8045 0.0000 0.0000 63.1139 32.1479 176.0082 82 M 4.4442 9.0256 123.0746 55.1096 33.8566 175.2415 83 R 4.9455 8.6968 122.5945 54.7499 32.7396 174.2606 84 I 5.0071 8.6155 127.1595 59.6863 40.0715 175.0019 85 Q 4.6706 9.0809 124.8805 53.8935 33.2886 174.1901 86 Y 4.8247 8.2852 116.5874 57.5830 39.4968 175.3984 87 A 4.3145 8.9179 127.0569 52.5518 18.5086 178.9045 88 K 4.0772 9.0488 124.1390 57.0316 32.0518 174.8831 89 T 4.8411 7.4285 106.1263 59.3421 71.9285 173.1249 90 D 4.5799 8.3822 121.6671 54.1429 41.6670 177.4478 91 S 4.4120 8.3435 118.1373 57.9576 64.9902 175.4400 92 D 4.3108 8.4515 122.8788 57.8090 40.3844 179.1187 93 I 3.6499 7.6742 117.1142 63.5046 38.0192 177.5210 94 I 3.9514 7.5277 119.3580 63.9713 37.5602 177.4849 95 A 4.1815 8.1806 122.6724 54.7281 18.2593 178.1334 96 K 4.1567 8.1378 122.7192 54.6810 32.4576 178.3151 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 *7 R 8.24 4.35 0.00 1.85 1.70 0.00 3.23 0.00 0.00 3.22 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 P 0.00 2.97 0.00 1.84 1.45 0.00 3.25 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 9 N 7.91 4.98 0.00 2.71 3.01 0.00 0.00 7.06 7.89 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 10 H 9.00 4.47 0.00 3.25 3.64 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.81 5.22 4.43 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 1.48 0.00 0.00 12 I 8.53 4.95 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 1.40 0.87 0.94 0.00 0.00 13 Y 8.81 4.19 0.00 2.98 2.79 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 0.00 0.00 0.00 0.00 14 I 7.73 4.72 1.55 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.30 0.79 0.00 0.00 15 N 8.34 5.60 0.00 2.56 2.50 0.00 0.00 6.51 6.95 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 16 N 8.79 3.97 0.00 2.84 3.03 0.00 0.00 6.88 7.78 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 17 L 7.75 4.45 0.00 1.72 1.68 0.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.59 4.46 0.00 2.81 2.59 0.00 0.00 7.07 7.65 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 19 E 8.73 4.12 0.00 2.05 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 2.46 2.32 0.00 20 K 7.83 4.23 0.00 1.87 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.75 4.14 1.33 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.12 0.56 0.00 0.00 22 K 8.39 4.16 0.00 1.96 1.91 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 K 8.47 3.95 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.50 7.81 24 D 8.02 4.33 0.00 2.84 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 25 E 8.19 3.95 0.00 2.09 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 2.51 2.45 0.00 26 L 7.96 4.14 0.00 1.81 1.87 1.16 0.32 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 27 K 8.08 4.01 0.00 2.08 1.99 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.65 7.81 28 K 8.20 4.25 0.00 1.84 1.91 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.80 7.81 29 S 8.54 4.48 0.00 4.35 4.30 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 30 L 8.40 4.17 0.00 1.76 1.67 0.98 0.47 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 31 H 8.15 4.32 0.00 3.45 3.45 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.70 4.29 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.67 4.08 1.55 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 1.57 1.05 0.41 0.00 0.00 34 F 8.08 4.90 0.00 3.24 3.35 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 35 S 7.73 4.32 0.00 4.24 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.16 4.10 0.00 1.59 1.84 0.00 2.21 0.00 0.00 2.74 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 37 F 7.57 4.26 0.00 3.04 3.05 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 38 G 6.99 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 0.00 0.00 0.00 0.00 39 Q 7.97 4.30 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 40 I 8.13 4.21 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.44 0.71 0.00 0.00 41 L 9.10 4.26 0.00 1.58 1.71 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.68 4.67 0.00 2.66 2.42 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 43 I 8.25 4.89 1.86 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 1.15 0.70 0.85 0.00 0.00 44 L 8.84 4.54 0.00 1.76 1.68 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.42 4.83 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 0.80 0.00 0.00 0.96 0.00 0.00 46 S 8.81 4.79 0.00 3.84 3.73 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 47 R 8.37 4.57 0.00 1.74 1.84 0.00 3.31 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 48 S 7.78 4.41 0.00 4.01 3.99 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 0.00 0.00 0.00 49 L 8.57 3.93 0.00 1.61 1.78 0.93 0.60 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 50 K 7.97 4.36 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.54 7.81 51 M 7.94 4.81 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 52 R 7.92 4.28 0.00 1.99 2.28 0.00 3.09 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 53 G 8.84 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.47 4.95 0.00 2.01 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.58 0.00 0.00 0.00 0.00 0.00 2.07 2.38 0.00 55 A 8.46 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.04 4.93 0.00 2.99 2.99 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 0.00 0.00 0.00 57 V 8.03 3.89 1.63 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 0.12 0.00 0.00 0.30 0.00 0.00 58 I 8.60 4.56 1.88 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 1.27 0.97 0.94 0.00 0.00 59 F 8.52 5.03 0.00 3.19 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 60 K 8.67 4.16 0.00 1.82 1.94 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 E 7.97 4.85 0.00 2.05 1.83 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 2.37 2.24 0.00 62 V 8.27 3.54 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 1.01 0.00 0.00 0.58 0.00 0.00 63 S 8.16 4.05 0.00 3.91 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 64 S 7.80 4.10 0.00 3.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.49 3.57 1.49 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 0.00 0.00 66 T 8.12 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 1.28 0.00 0.00 67 N 7.89 4.28 0.00 2.68 2.99 0.00 0.00 6.92 9.22 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 68 A 7.27 2.58 0.97 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 0.00 0.00 69 L 7.45 3.69 0.00 1.47 1.60 -0.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.54 3.99 0.00 1.81 1.94 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 71 S 7.83 4.40 0.00 3.98 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 72 M 7.61 4.37 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.25 0.00 73 Q 7.03 4.12 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 74 G 9.12 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 75 F 7.98 4.05 0.00 3.09 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 76 P 0.00 4.57 0.00 1.81 1.88 0.00 2.57 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 77 F 9.57 4.74 0.00 3.19 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 78 Y 8.59 3.19 0.00 2.96 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 79 D 8.43 4.58 0.00 2.84 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 80 K 7.63 4.82 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 81 P 0.00 4.80 0.00 2.10 2.13 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 82 M 9.03 4.44 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.63 0.00 83 R 8.70 4.95 0.00 1.88 1.97 0.00 3.18 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 84 I 8.62 5.01 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.80 0.00 0.00 85 Q 9.08 4.67 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 86 Y 8.29 4.82 0.00 2.95 2.83 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 87 A 8.92 4.31 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.05 4.08 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 89 T 7.43 4.84 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 90 D 8.38 4.58 0.00 2.70 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 91 S 8.34 4.41 0.00 3.86 3.75 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 0.00 0.00 0.00 0.00 92 D 8.45 4.31 0.00 2.65 2.69 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 0.00 0.00 0.00 0.00 93 I 7.67 3.65 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 1.63 0.73 0.90 0.00 0.00 94 I 7.53 3.95 1.85 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 1.57 0.97 0.74 0.00 0.00 95 A 8.18 4.18 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 96 K 8.14 4.16 0.00 1.74 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.