NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6044 8.3644 119.5563 52.6644 42.4079 174.9358 4 V 4.1001 7.6733 117.6384 61.2314 32.3861 173.5941 5 T 4.8292 9.2931 117.6899 59.7246 73.4191 172.2984 6 I 4.4418 8.2652 123.0387 61.3598 37.1567 176.2756 7 V 3.9115 8.8256 128.3432 65.1492 32.2528 176.1483 8 K 4.6200 7.7053 119.5193 55.0467 35.4633 174.3377 9 E 5.3312 8.4187 122.8863 54.5178 32.9877 174.4118 10 G 4.0318 7.8178 108.6049 45.9323 0.0000 171.6692 11 W 5.1606 8.9594 120.1405 56.6483 29.9027 176.6432 12 V 4.8262 9.5184 116.6877 59.9723 36.3386 174.0662 13 Q 5.0412 8.8473 121.2485 54.5337 30.6712 174.8858 14 K 4.6395 9.1749 125.2658 54.2331 35.3839 175.4612 15 R 3.9738 8.3529 126.8718 55.7927 30.4269 177.0715 16 G 4.0230 8.1625 110.4051 45.9330 0.0000 173.5909 17 E 4.0598 8.7119 119.7901 57.7544 30.2207 177.1782 18 Y 4.3768 8.0614 113.7648 58.9757 40.0934 175.7313 19 I 4.3485 7.5135 120.1186 59.6548 39.3402 176.5424 20 K 4.4657 8.2970 127.6150 55.5076 31.1498 175.7186 21 N 5.0188 7.1678 116.7663 50.6711 41.6740 175.3286 22 W 5.0972 8.7027 119.9177 56.6526 30.3873 175.9649 23 R 4.8974 9.0236 121.2407 53.9208 34.5382 172.8189 24 P 5.3435 0.0000 0.0000 62.4434 32.3241 176.1329 25 R 5.0528 9.6469 121.7224 54.9059 35.2631 173.4415 26 Y 4.3775 8.7549 124.2867 56.0855 40.3009 174.2491 27 F 4.8913 8.5570 125.9010 55.5595 42.1943 174.7358 28 L 5.4035 8.9162 122.2557 52.9950 44.6853 175.0115 29 L 5.3988 9.4343 126.5135 53.5924 44.2256 175.4250 30 K 5.3347 8.9195 125.1733 54.4858 35.4993 177.4190 31 T 4.0263 8.6777 111.8222 63.9523 68.7403 174.9971 32 D 4.5300 8.0641 120.5003 53.6370 39.9361 177.1370 33 G 4.0304 8.4472 110.2249 45.0464 0.0000 173.7154 34 S 4.7275 8.3239 115.5978 58.4023 64.7202 173.5772 35 F 5.4514 9.1902 124.4300 56.9602 42.0958 172.9508 36 I 4.5481 8.8172 127.6614 59.1235 40.2173 175.0951 37 G 2.9164 7.8690 113.8356 43.9592 0.0000 171.7237 38 Y 5.0032 8.2801 119.5535 55.4005 41.9637 176.6413 39 K 3.9870 8.9978 122.6816 59.3294 32.4439 176.1367 40 E 4.8864 7.6893 113.5369 54.2498 32.8036 174.4749 41 K 2.9158 8.1763 118.5297 55.5253 32.5621 176.7075 42 P 3.8544 0.0000 0.0000 66.2023 31.3127 179.1976 43 Q 3.9811 7.6774 116.0210 57.2582 28.1347 179.4106 44 D 4.7533 7.8868 116.8807 55.2618 41.0201 177.1732 45 V 4.5687 7.2357 115.4277 58.7856 35.5386 180.1276 46 D 4.4871 8.9450 124.5214 57.7239 41.1431 178.2910 47 L 4.7667 7.3669 118.5687 51.7350 41.2148 176.8506 48 P 4.6109 0.0000 0.0000 62.2267 29.9789 175.8987 *49 Y 4.1033 7.9763 124.0633 56.6836 37.5160 174.3654 50 P 4.0598 0.0000 0.0000 61.6640 31.9813 176.3697 51 L 4.4017 8.2251 121.6786 56.1357 42.7571 176.8745 52 N 5.0302 7.4697 115.4835 51.6528 43.3188 173.4364 53 N 4.9766 8.7678 122.0116 52.5636 41.4383 172.9137 54 F 5.1648 8.5150 120.7985 55.7919 42.2584 172.8598 55 S 5.3266 9.1805 113.6320 56.9193 63.8973 173.9377 56 V 4.3487 8.8631 118.6649 60.9143 31.7305 175.7633 57 A 3.9936 7.8404 123.9522 53.8102 18.4209 177.9995 58 K 3.8400 8.7294 120.6375 57.3373 29.7793 175.5327 59 C 4.4981 7.5547 112.9706 58.2816 30.7593 172.5415 60 Q 4.7881 8.8633 118.4846 54.0979 31.6852 174.7977 61 L 5.3733 8.4677 121.2245 53.3415 45.1997 175.8104 62 M 4.9772 9.1694 121.5390 53.4733 36.3549 174.3866 63 K 5.3180 8.7949 121.0641 54.9739 35.0105 175.4615 64 T 4.8660 8.9862 113.7478 60.2901 72.7266 174.1061 65 E 4.8071 8.9652 118.6558 56.0603 30.9793 176.4294 66 R 4.7898 7.6463 117.3739 53.6445 33.9599 173.6665 67 P 4.4350 0.0000 0.0000 64.4436 31.8814 176.4208 68 K 4.4686 7.7855 118.0103 53.4080 34.0353 174.2836 69 P 4.5261 0.0000 0.0000 63.7963 32.2909 175.2215 70 N 4.2933 8.9704 114.6996 54.8971 36.6612 174.2299 71 T 5.2267 7.8486 114.1763 62.4769 70.8715 174.9559 72 F 5.7229 9.2269 119.9541 55.2339 41.7456 173.7198 73 I 5.1890 9.2264 121.5777 59.7522 40.7313 174.3114 74 I 5.1246 9.2046 127.4843 59.6613 40.1442 174.8302 75 R 4.8510 8.9592 124.8263 54.5569 33.8747 174.3017 76 C 4.5464 7.0920 119.2955 57.2965 31.8160 174.7771 77 L 3.7930 8.5242 124.1980 58.2455 41.6566 178.0713 78 Q 4.3166 7.6881 112.7831 56.6678 29.6748 176.6863 79 W 4.7098 7.9094 121.8798 56.4275 27.1828 176.6893 80 T 4.3117 7.7782 108.5634 62.9376 69.7064 177.5268 81 T 4.0243 7.8871 118.8990 66.5346 68.8538 176.1134 82 V 3.5156 7.6869 121.4068 63.9779 31.8148 176.5066 83 I 3.7659 8.1116 121.0518 59.5147 34.5084 176.8340 84 E 5.3043 7.6140 116.6115 54.6007 33.1527 173.9250 85 R 4.5192 9.1694 119.4741 54.6850 33.4294 175.0608 86 T 5.0425 7.7774 118.7194 61.7940 72.2629 172.8903 87 F 5.3833 9.2027 124.3566 55.9066 43.3699 173.6413 88 H 5.4678 9.2757 116.2128 54.3079 32.1767 172.4731 89 V 5.0431 8.3552 112.4025 59.6654 35.1697 175.2368 90 D 4.5548 8.9859 119.9897 56.2361 41.7843 176.3817 91 T 4.8297 7.5906 108.6182 58.5649 73.3193 172.8197 92 P 4.4146 0.0000 0.0000 66.0259 31.4482 178.6317 93 E 3.9612 8.1430 118.0638 59.2664 29.4688 178.6796 94 E 3.9394 8.3702 119.3805 59.0901 29.7001 178.7741 95 R 4.0672 8.0458 118.5147 59.5947 30.2104 178.1405 96 E 3.9801 8.2174 120.3514 58.6248 29.5448 178.4193 97 E 3.8191 8.1606 118.6532 59.2144 29.4427 179.4726 98 W 3.9733 7.7906 118.8375 60.0100 28.6563 178.8421 99 T 3.7275 7.7560 109.6087 64.5083 68.0977 176.5659 100 E 3.9115 8.5775 121.7727 59.0845 29.4625 179.0678 101 A 3.8866 7.9940 120.7939 55.1709 18.4798 179.6915 102 I 3.5033 7.9017 118.6321 64.6470 37.1088 178.5386 103 Q 3.9225 8.0208 120.0999 59.0136 28.8461 178.0629 104 A 3.9422 8.2333 122.1669 54.9635 18.3782 179.7788 105 V 3.4886 7.9550 116.5783 66.1615 31.6690 178.1299 106 A 4.0031 8.0444 120.4615 55.2571 18.1128 179.3921 107 D 4.2608 8.4296 117.7588 57.5047 40.6890 178.9212 108 R 3.8704 7.8765 118.1115 59.4511 30.2109 178.2759 109 L 4.1315 7.9877 118.9027 57.7344 41.3569 179.2304 110 Q 4.0227 7.8115 118.8343 58.8508 29.0727 177.5947 111 R 4.5695 8.0805 118.3118 56.6087 30.0614 177.2670 112 Q 4.3116 7.9146 120.1339 54.1183 30.3600 180.1392 113 E 4.3824 8.6697 119.0917 55.1013 30.5576 173.4136 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 D 8.36 4.60 0.00 2.71 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 4 V 7.67 4.10 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 0.96 0.00 0.00 0.95 0.00 0.00 5 T 9.29 4.83 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 1.22 0.00 0.00 6 I 8.27 4.44 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 1.06 0.00 0.00 7 V 8.83 3.91 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 0.64 0.00 0.00 0.93 0.00 0.00 8 K 7.71 4.62 0.00 1.47 1.08 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.87 7.81 9 E 8.42 5.33 0.00 2.00 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 2.20 2.42 0.00 10 G 7.82 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 11 W 8.96 5.16 0.00 3.42 3.31 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 12 V 9.52 4.83 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 0.67 0.00 0.00 1.21 0.00 0.00 13 Q 8.85 5.04 0.00 1.51 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 14 K 9.17 4.64 0.00 1.70 1.63 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.47 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.96 0.45 7.81 15 R 8.35 3.97 0.00 1.19 1.33 0.00 2.68 0.00 0.00 2.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 16 G 8.16 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.06 0.00 1.66 1.52 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 2.11 2.15 0.00 18 Y 8.06 4.38 0.00 2.90 2.94 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 19 I 7.51 4.35 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 1.42 1.05 0.89 0.00 0.00 20 K 8.30 4.47 0.00 1.60 1.56 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.32 7.81 21 N 7.17 5.02 0.00 2.80 2.83 0.00 0.00 6.10 8.88 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 22 W 8.70 5.10 0.00 3.20 3.11 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 23 R 9.02 4.90 0.00 1.76 1.84 0.00 3.34 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 24 P 0.00 5.34 0.00 2.19 2.06 0.00 3.79 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 25 R 9.65 5.05 0.00 2.07 1.87 0.00 3.25 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 26 Y 8.75 4.38 0.00 1.57 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 27 F 8.56 4.89 0.00 2.67 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 28 L 8.92 5.40 0.00 1.75 1.70 1.13 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.43 5.40 0.00 2.14 1.91 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.92 5.33 0.00 1.90 1.71 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.44 7.81 31 T 8.68 4.03 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 1.22 0.00 0.00 32 D 8.06 4.53 0.00 2.84 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 33 G 8.45 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 34 S 8.32 4.73 0.00 3.96 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 35 F 9.19 5.45 0.00 2.90 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 36 I 8.82 4.55 1.77 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.64 0.37 0.00 0.00 37 G 7.87 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 0.00 0.00 0.00 38 Y 8.28 5.00 0.00 2.80 2.75 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 39 K 9.00 3.99 0.00 2.05 1.94 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.01 7.81 40 E 7.69 4.89 0.00 2.40 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 2.17 1.90 0.00 41 K 8.18 2.92 0.00 1.62 1.20 0.00 1.60 0.00 0.00 1.89 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.82 7.81 42 P 0.00 3.85 0.00 1.81 1.26 0.00 3.25 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.99 0.00 43 Q 7.68 3.98 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.19 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 44 D 7.89 4.75 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 4.57 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 0.75 0.00 0.00 0.93 0.00 0.00 46 D 8.94 4.49 0.00 2.63 2.74 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 47 L 7.37 4.77 0.00 1.61 1.43 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.61 0.00 2.11 2.02 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 *49 Y 7.98 4.10 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.06 0.00 1.78 1.40 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 51 L 8.23 4.40 0.00 1.36 1.67 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.47 5.03 0.00 2.53 2.89 0.00 0.00 6.55 6.92 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 53 N 8.77 4.98 0.00 2.57 2.64 0.00 0.00 6.86 7.02 0.00 0.00 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 F 8.51 5.16 0.00 3.29 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.18 5.33 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.86 4.35 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 0.92 0.00 0.00 0.98 0.00 0.00 57 A 7.84 3.99 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 58 K 8.73 3.84 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.38 7.81 59 C 7.55 4.50 0.00 2.91 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 60 Q 8.86 4.79 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 61 L 8.47 5.37 0.00 1.49 1.57 0.88 0.90 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 62 M 9.17 4.98 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 63 K 8.79 5.32 0.00 1.66 1.77 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 64 T 8.99 4.87 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 1.27 0.00 0.00 65 E 8.97 4.81 0.00 1.96 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 0.00 2.22 2.25 0.00 66 R 7.65 4.79 0.00 1.76 1.79 0.00 3.39 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 67 P 0.00 4.44 0.00 2.29 2.25 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 68 K 7.79 4.47 0.00 1.48 1.20 0.00 1.18 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.29 0.37 7.81 69 P 0.00 4.53 0.00 2.02 1.99 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 70 N 8.97 4.29 0.00 3.19 3.10 0.00 0.00 7.20 6.55 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 71 T 7.85 5.23 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 72 F 9.23 5.72 0.00 3.11 3.08 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 0.00 0.00 0.00 73 I 9.23 5.19 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 1.03 0.00 0.00 74 I 9.20 5.12 2.38 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 1.11 0.00 0.00 75 R 8.96 4.85 0.00 1.63 1.66 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 76 C 7.09 4.55 0.00 1.23 2.18 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 77 L 8.52 3.79 0.00 1.48 1.61 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.69 4.32 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.34 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 79 W 7.91 4.71 0.00 3.47 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 80 T 7.78 4.31 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 81 T 7.89 4.02 4.13 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 0.00 0.00 0.00 1.10 0.00 0.00 82 V 7.69 3.52 1.82 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 0.54 0.00 0.00 0.65 0.00 0.00 83 I 8.11 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 1.35 0.68 0.91 0.00 0.00 84 E 7.61 5.30 0.00 2.12 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 2.15 2.31 0.00 85 R 9.17 4.52 0.00 1.75 1.60 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.06 0.00 86 T 7.78 5.04 3.91 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 1.29 0.00 0.00 87 F 9.20 5.38 0.00 1.51 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 0.00 0.00 0.00 0.00 88 H 9.28 5.47 0.00 3.24 3.10 0.00 5.20 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 89 V 8.36 5.04 2.31 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 1.03 0.00 0.00 1.34 0.00 0.00 90 D 8.99 4.55 0.00 2.67 2.75 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 91 T 7.59 4.83 4.45 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 1.25 0.00 0.00 92 P 0.00 4.41 0.00 2.31 2.38 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 93 E 8.14 3.96 0.00 2.09 2.04 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 2.40 2.43 0.00 94 E 8.37 3.94 0.00 2.16 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 0.00 2.54 2.63 0.00 95 R 8.05 4.07 0.00 2.22 2.19 0.00 3.39 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 96 E 8.22 3.98 0.00 2.23 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 0.00 2.26 2.41 0.00 97 E 8.16 3.82 0.00 1.98 1.69 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 2.23 2.50 0.00 98 W 7.79 3.97 0.00 2.96 2.34 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 0.00 99 T 7.76 3.73 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 0.97 0.00 0.00 100 E 8.58 3.91 0.00 1.98 1.97 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 2.28 2.32 0.00 101 A 7.99 3.89 1.25 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 0.00 0.00 0.00 102 I 7.90 3.50 1.77 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.76 0.80 0.00 0.00 103 Q 8.02 3.92 0.00 2.21 2.05 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 2.33 2.54 0.00 104 A 8.23 3.94 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 0.00 105 V 7.96 3.49 2.19 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 1.05 0.00 0.00 0.94 0.00 0.00 106 A 8.04 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.43 4.26 0.00 2.81 2.71 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 0.00 108 R 7.88 3.87 0.00 2.12 2.11 0.00 3.38 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 109 L 7.99 4.13 0.00 1.91 1.71 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.81 4.02 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 111 R 8.08 4.57 0.00 1.81 1.94 0.00 3.31 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.77 0.00 112 Q 7.91 4.31 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 113 E 8.67 4.38 0.00 1.94 1.69 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 2.11 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.