NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2715 8.3149 119.9976 56.0596 34.1749 175.6812 3 P 4.4283 0.0000 0.0000 61.3587 32.5921 173.3456 4 Y 4.9995 7.4636 116.2599 56.0726 41.5893 173.7257 5 R 4.3978 9.5149 122.2673 55.6003 32.0196 174.8200 6 L 5.1746 8.3301 127.0725 52.9674 44.5618 176.1225 7 S 4.3833 8.9734 121.8669 58.4371 63.9684 175.9634 8 R 4.0194 8.7475 120.8620 59.2836 29.8206 179.3036 9 R 3.9425 8.0689 118.1377 59.2923 30.1513 178.2332 10 A 4.3037 8.0959 120.6577 54.6794 18.3567 179.5400 11 K 3.9869 8.0452 118.2135 59.5404 32.2973 178.9662 12 A 4.0691 8.1675 121.1760 54.9545 18.2210 179.0501 13 D 4.3574 8.4242 117.9939 57.7895 41.0130 178.8431 14 L 4.1073 8.0507 119.0114 58.2530 41.6458 179.3483 15 D 4.4271 8.2738 118.2696 57.7982 40.8791 178.4460 16 D 4.5102 8.7729 119.4163 57.8508 40.8384 179.4751 17 I 3.9104 8.0493 120.0704 63.9884 37.1315 178.1482 18 W 4.0720 8.8869 129.6140 60.7838 30.5631 177.9900 19 T 4.0389 8.5999 116.0253 66.9033 67.9187 175.7442 20 Y 3.9273 8.1317 121.4045 60.9032 38.6425 178.4867 21 S 3.9428 8.2094 115.0534 61.1083 63.1728 175.9507 22 E 4.0246 8.3737 123.4822 59.1634 29.1649 178.6236 23 Q 3.8067 8.1247 119.0678 58.8260 29.1239 177.5917 24 R 3.5475 7.1995 119.0098 57.5982 30.1125 176.7506 25 W 4.8910 8.3157 114.6518 55.3548 31.4222 175.7936 26 G 4.0408 8.2279 104.6866 45.0700 0.0000 175.1594 27 V 3.6386 8.2378 111.4269 64.1492 31.4906 178.5737 28 E 3.9705 8.2464 117.9610 59.7838 29.2452 179.4377 29 Q 3.9383 7.9574 116.9621 58.6602 28.9335 178.0692 30 A 3.7037 8.1105 122.8949 54.4315 18.3603 179.6268 31 A 3.9936 7.8154 119.3008 55.2499 18.4588 179.6850 32 D 4.3330 7.9467 117.2153 57.5367 40.9169 178.3120 33 Y 3.9369 8.2908 120.1143 60.6345 38.7406 177.8047 34 A 4.1636 8.3800 121.8862 55.4011 18.4140 179.8949 35 R 3.9129 7.9229 116.2262 59.2882 30.1662 178.8962 36 E 3.8721 8.1615 118.4524 59.4635 29.4197 179.4995 37 L 3.8759 7.7147 118.9244 57.5230 41.5548 179.2166 38 Q 3.9064 8.2620 119.5929 59.2570 28.8053 178.3939 39 A 3.9292 7.8415 120.2703 55.3475 18.4676 179.2754 40 T 3.8817 7.5924 113.2053 67.0696 68.9134 176.6259 41 I 3.6632 7.6388 121.4317 63.7399 37.1049 177.5055 42 E 3.9988 8.1580 119.4882 56.8213 29.7583 178.9668 *44 I 3.8065 7.8507 121.5071 61.2903 39.3185 178.2915 45 A 3.8001 7.6594 122.1899 55.1490 18.4269 178.2572 46 E 3.9554 7.8898 115.3324 59.2467 29.6376 177.5719 47 H 4.8990 7.4821 118.2877 52.6271 29.0611 171.4505 48 P 4.7186 0.0000 0.0000 64.9808 32.0894 179.2836 49 G 3.8411 7.9246 108.6927 45.0022 0.0000 173.2090 *51 G 4.1778 7.5093 103.8691 45.6596 0.0000 173.0249 52 Q 4.2805 8.2387 123.9208 55.1322 29.8665 173.9944 53 P 4.6118 0.0000 0.0000 62.9546 32.3565 176.0405 54 D 4.8351 9.0548 120.0430 52.4511 40.6433 175.7570 55 E 4.0702 8.0735 123.6754 58.7321 30.6055 178.4523 56 N 4.4514 8.1336 115.9606 55.7080 38.9789 176.8539 57 L 3.9137 7.9099 119.4372 56.9704 42.7995 176.6048 58 R 4.4203 8.1557 116.6457 54.5102 33.3734 173.9752 59 A 4.5174 8.1790 127.5088 53.5989 18.5213 177.5824 60 G 3.9442 9.4904 112.1081 45.0219 0.0000 172.7869 61 Y 4.4448 7.8777 118.0426 57.0107 39.6495 174.9913 62 R 5.1118 8.5556 121.7815 54.2388 34.4253 174.3632 63 R 5.0951 8.7523 116.6733 54.7974 33.4408 174.2850 64 C 4.7852 8.8063 120.2128 58.2581 34.6779 173.3166 65 A 4.7504 8.5772 128.1570 51.6750 20.1770 176.8639 66 S 4.1862 9.3902 113.5084 58.2038 66.4170 176.5786 67 G 4.1175 8.9838 120.1568 47.1741 0.0000 173.8813 68 S 4.7628 7.6292 122.2553 57.8161 63.9677 172.8865 69 H 5.4796 8.3955 118.8303 54.0908 32.4029 173.6372 70 V 4.4875 8.4859 118.5253 61.5153 34.6723 174.1749 71 V 4.4665 8.7610 129.7210 62.6154 32.6010 174.5411 72 F 5.4792 9.2053 127.9375 56.3325 40.9907 174.8239 73 Y 5.4585 9.1252 121.2059 55.5395 42.3014 173.7036 74 R 5.0518 8.5922 116.0241 54.2352 33.6842 174.0054 75 V 4.8528 8.2329 117.6554 59.1381 33.8260 174.2297 76 G 4.1112 9.1197 111.6644 45.2428 0.0000 176.6996 77 V 3.7524 8.7793 125.3716 63.5467 31.6465 175.4129 78 R 4.6744 7.5255 115.2242 53.6992 32.7929 173.7615 79 V 4.0985 8.3711 117.6716 63.6244 32.6774 174.2068 80 E 5.1195 9.5374 127.3678 54.5516 32.5753 175.3395 81 I 4.0633 8.8866 127.1895 61.4160 37.4734 177.0809 82 I 4.0128 8.8168 129.0472 63.9280 37.5437 176.7838 83 R 4.9420 8.0620 118.6506 54.7030 35.1612 174.2728 84 V 4.6059 9.3104 120.7729 61.5197 33.6807 174.6195 85 L 5.0738 8.9716 127.9481 52.6292 45.1090 176.1633 86 H 4.3409 8.9935 121.9011 56.1553 30.1672 176.2164 87 Q 4.1214 8.5493 124.6778 58.3891 28.9459 176.9814 88 S 4.4485 7.4537 114.7664 57.7439 62.2542 173.9403 *90 N 4.6094 7.6664 115.8162 54.0992 40.0247 174.4279 91 A 4.5684 8.1046 122.4826 50.6648 22.2276 176.5511 92 R 4.1505 8.4164 120.9964 54.6819 29.1938 175.9753 93 A 3.9918 8.4112 128.0449 52.6723 18.8808 176.0986 94 H 4.6231 8.6080 122.2280 54.4639 30.8300 174.8225 95 L 4.5978 8.6217 126.8887 54.8708 41.7166 176.4631 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 K 8.31 4.27 0.00 1.91 1.98 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 3 P 0.00 4.43 0.00 2.10 1.92 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 4 Y 7.46 5.00 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.51 4.40 0.00 1.93 1.89 0.00 3.05 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 6 L 8.33 5.17 0.00 1.83 1.58 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.97 4.38 0.00 4.01 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 8 R 8.75 4.02 0.00 1.90 2.04 0.00 3.14 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 9 R 8.07 3.94 0.00 1.95 1.97 0.00 3.25 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 10 A 8.10 4.30 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 11 K 8.05 3.99 0.00 1.97 1.85 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 12 A 8.17 4.07 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 13 D 8.42 4.36 0.00 2.92 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 14 L 8.05 4.11 0.00 2.05 1.86 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.27 4.43 0.00 2.93 2.77 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 0.00 0.00 0.00 16 D 8.77 4.51 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.91 2.25 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 1.42 0.85 1.12 0.00 0.00 18 W 8.89 4.07 0.00 3.69 3.30 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 19 T 8.60 4.04 4.53 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 1.28 0.00 0.00 20 Y 8.13 3.93 0.00 3.11 3.12 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 0.00 0.00 0.00 21 S 8.21 3.94 0.00 4.34 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 0.00 22 E 8.37 4.02 0.00 1.80 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 2.39 2.33 0.00 23 Q 8.12 3.81 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 24 R 7.20 3.55 0.00 0.73 0.66 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.63 0.00 25 W 8.32 4.89 0.00 3.40 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 26 G 8.23 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 0.00 0.00 0.00 27 V 8.24 3.64 2.26 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 1.05 0.00 0.00 1.00 0.00 0.00 28 E 8.25 3.97 0.00 2.06 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 2.42 2.50 0.00 29 Q 7.96 3.94 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 30 A 8.11 3.70 0.33 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 0.00 0.00 31 A 7.82 3.99 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.95 4.33 0.00 2.91 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 33 Y 8.29 3.94 0.00 3.09 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 34 A 8.38 4.16 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.91 0.00 2.12 1.99 0.00 3.17 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 36 E 8.16 3.87 0.00 1.81 1.78 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 2.39 2.38 0.00 37 L 7.71 3.88 0.00 1.86 1.67 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.26 3.91 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 39 A 7.84 3.93 1.31 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 0.00 0.00 40 T 7.59 3.88 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 1.13 0.00 0.00 41 I 7.64 3.66 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.22 0.00 0.00 42 E 8.16 4.00 0.00 1.95 1.93 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 2.38 2.55 0.00 *44 I 7.85 3.81 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.32 -0.57 0.00 0.00 45 A 7.66 3.80 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 46 E 7.89 3.96 0.00 1.93 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 2.09 1.54 0.00 47 H 7.48 4.90 0.00 3.13 3.16 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.72 0.00 2.29 2.24 0.00 3.41 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 49 G 7.92 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 *51 G 7.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.24 4.28 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 53 P 0.00 4.61 0.00 2.10 2.02 0.00 3.75 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 1.98 1.96 0.00 54 D 9.05 4.84 0.00 2.65 2.62 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 0.00 0.00 0.00 55 E 8.07 4.07 0.00 2.09 1.93 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 2.38 2.40 0.00 56 N 8.13 4.45 0.00 2.78 2.97 0.00 0.00 6.81 6.74 0.00 0.00 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 L 7.91 3.91 0.00 1.72 1.93 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.16 4.42 0.00 1.61 1.34 0.00 2.84 0.00 0.00 2.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 59 A 8.18 4.52 1.33 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 0.00 0.00 60 G 9.49 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 61 Y 7.88 4.44 0.00 3.20 2.96 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 62 R 8.56 5.11 0.00 0.67 1.32 0.00 2.87 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.00 63 R 8.75 5.10 0.00 1.13 1.70 0.00 2.64 0.00 0.00 2.78 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 64 C 8.81 4.79 0.00 3.11 2.77 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 0.00 0.00 0.00 65 A 8.58 4.75 1.22 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 0.00 0.00 0.00 66 S 9.39 4.19 0.00 3.70 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.63 4.76 0.00 3.94 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 69 H 8.40 5.48 0.00 3.31 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.49 4.49 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 0.25 0.00 0.00 0.89 0.00 0.00 71 V 8.76 4.47 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 0.92 0.00 0.00 0.94 0.00 0.00 72 F 9.21 5.48 0.00 3.15 3.17 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 73 Y 9.13 5.46 0.00 3.16 2.97 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 74 R 8.59 5.05 0.00 1.56 1.08 0.00 2.58 0.00 0.00 2.99 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.41 0.00 75 V 8.23 4.85 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 0.81 0.00 0.00 0.95 0.00 0.00 76 G 9.12 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 77 V 8.78 3.75 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 78 R 7.53 4.67 0.00 1.99 2.05 0.00 2.97 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 79 V 8.37 4.10 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 0.82 0.00 0.00 0.92 0.00 0.00 80 E 9.54 5.12 0.00 1.90 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 2.28 2.35 0.00 81 I 8.89 4.06 1.96 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.97 0.00 0.00 82 I 8.82 4.01 2.33 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.03 1.10 0.00 0.00 83 R 8.06 4.94 0.00 1.83 1.86 0.00 3.29 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 84 V 9.31 4.61 2.17 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 0.85 0.00 0.00 1.01 0.00 0.00 85 L 8.97 5.07 0.00 1.92 1.65 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.99 4.34 0.00 3.17 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.55 4.12 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.99 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 88 S 7.45 4.45 0.00 4.07 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 *90 N 7.67 4.61 0.00 2.88 2.88 0.00 0.00 6.93 7.35 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 91 A 8.10 4.57 1.19 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 0.00 0.00 0.00 92 R 8.42 4.15 0.00 1.78 1.91 0.00 3.32 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 93 A 8.41 3.99 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 94 H 8.61 4.62 0.00 3.08 3.23 0.00 5.96 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.62 4.60 0.00 1.62 1.53 0.94 0.95 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 * Residues marked with a * may have inaccurate shift predictions.