NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7495 8.2676 118.2173 52.9677 38.7488 174.2612 3 S 3.9913 8.5316 111.1190 61.4141 63.1201 174.5813 4 A 3.9758 8.2127 124.9667 54.7803 18.5042 180.6575 5 A 3.9118 8.2144 118.9948 55.2288 18.4606 179.4907 6 L 3.9281 7.8290 118.8517 57.9408 42.0641 179.0133 7 K 3.8814 8.2184 119.7964 59.4704 32.1288 178.5686 8 S 4.0551 8.2899 113.6141 61.5347 62.2109 175.7369 9 C 4.0584 8.0688 121.1386 62.4718 31.3751 175.3470 10 L 3.9565 8.0365 120.6177 57.9588 41.2271 179.1807 11 E 3.9546 8.3686 118.5657 59.8375 29.4427 179.9274 12 R 3.9967 8.0273 117.7359 59.0523 30.1273 178.8417 13 E 3.9326 8.5072 118.8747 59.4853 29.4152 178.9563 14 N 4.2551 8.6865 117.0831 56.5377 39.0280 176.4650 15 A 3.9918 8.3932 122.6149 55.4358 18.4499 179.6878 16 L 3.9753 8.0800 117.2690 57.8529 41.7087 179.8438 17 V 3.6046 7.9213 118.2724 66.0802 31.4421 178.2708 18 V 3.6272 8.1271 118.2421 66.0174 31.2625 177.8937 19 E 3.9518 8.2974 118.4498 59.1704 29.2785 179.0861 20 F 4.0277 8.7296 121.1575 61.2806 39.5063 176.9257 21 L 4.0355 8.5779 118.9942 58.5299 41.4602 179.4453 22 H 4.3269 8.1582 115.6621 58.5789 28.5301 177.6489 23 A 3.9286 8.3135 123.1266 55.1114 18.1779 179.5771 24 L 3.7361 8.1805 117.6781 57.9704 41.6209 179.5753 25 E 3.9539 8.2886 118.1768 59.2915 29.3123 179.3562 26 A 3.9116 8.0090 120.6475 55.0447 18.4520 178.9603 27 E 3.8084 8.2436 118.1097 60.0170 29.4170 179.1765 28 T 3.8212 8.0363 114.3138 66.5663 68.5754 175.7712 29 E 4.0397 8.1311 119.8243 59.3666 29.7611 178.4113 30 A 4.1928 7.9373 119.4286 54.9949 18.4480 180.0062 31 L 4.2904 7.6914 114.5887 54.2331 41.7180 176.7807 *33 D 4.2893 7.8428 118.2736 54.7127 41.3614 175.1799 34 R 4.6124 8.2307 124.6212 56.0047 30.6680 177.9384 35 R 3.9084 8.2454 121.0752 59.5720 30.0972 178.8327 36 A 3.9880 7.9570 119.8636 55.2948 18.3303 179.0487 37 H 4.1229 8.1341 116.3389 59.4427 30.0028 177.2784 38 E 3.9088 8.6720 120.8513 59.4159 29.2888 179.2793 39 S 4.1021 8.3210 115.5710 61.5787 62.8947 176.6583 40 L 3.9034 7.9121 122.6155 58.3052 41.8332 178.8146 41 Q 3.9309 8.2266 118.0629 59.0604 28.6756 179.0424 42 A 3.9387 8.3561 121.7113 55.0596 18.3882 179.6083 43 A 3.9161 8.1407 119.3665 55.1955 18.3853 179.8840 44 V 3.5140 8.1544 117.2267 66.3863 31.5579 178.2959 45 Q 3.9692 8.2878 117.7458 58.9049 28.4546 178.8384 46 R 3.8932 8.0305 119.0431 59.2586 30.0626 179.0998 47 K 3.9035 8.1258 118.0583 59.6096 32.1142 179.0121 48 E 3.9517 8.3642 118.8577 59.8196 29.3221 179.7248 49 T 3.8524 7.8417 115.3575 66.7809 68.5290 176.7340 50 L 3.9739 8.2739 120.9750 57.7918 41.5792 179.6031 51 A 4.0000 8.2490 120.9810 55.0924 18.4152 179.4359 52 D 4.2567 8.1789 117.3308 57.7475 41.0009 178.5995 53 D 4.4037 8.3826 119.6572 57.5969 40.7940 179.1079 54 L 4.0286 8.4044 119.4955 57.6898 41.6083 179.4028 55 A 4.0395 8.0976 120.8649 55.0361 18.2729 179.5455 56 Q 3.9098 8.0400 118.0049 59.3958 29.1061 178.4209 57 L 4.1483 8.1731 120.2287 57.4208 41.5315 179.5601 58 G 3.6710 8.8080 106.0266 47.9445 0.0000 175.5636 59 A 3.9860 8.0581 123.5185 54.5182 18.3299 179.3093 60 E 3.8079 8.1836 117.8407 59.4328 29.6954 178.8015 61 R 3.8315 8.2133 119.0200 59.8472 30.0942 178.1334 62 D 4.2830 8.3301 118.2789 57.1866 40.7442 178.7864 63 A 3.9734 8.1725 121.5975 55.0764 18.5154 179.6339 64 L 3.9147 7.9869 117.5228 57.8178 41.7015 179.7391 65 L 3.8979 8.0954 119.0899 57.8808 41.5723 179.5088 66 S 4.2784 8.5098 113.4906 61.4621 62.1230 176.1232 67 G 3.7979 8.3680 107.2634 47.6431 0.0000 174.2615 68 A 4.5651 7.5180 119.7811 51.2469 18.8903 177.5277 69 G 3.8117 7.9343 106.0684 47.0252 0.0000 174.0601 70 L 4.6066 7.5710 118.2896 51.9796 44.2493 176.3080 71 A 4.1339 8.1387 122.8641 52.2702 18.9479 177.5152 72 S 4.6558 8.3689 114.8030 57.4851 65.4084 174.5266 73 G 4.0371 9.2800 108.4302 45.0729 0.0000 172.1277 74 P 4.5011 0.0000 0.0000 65.7933 31.3136 178.3203 75 A 4.1155 8.0842 119.0942 55.1922 18.3659 179.7329 76 G 4.0684 7.6593 105.6126 47.8593 0.0000 176.0957 77 T 3.5075 7.7073 118.1008 66.0209 68.2400 176.5380 78 D 4.5010 8.6879 121.0828 57.5931 40.9054 178.8978 79 A 4.0280 7.9380 120.8606 54.9266 18.2584 179.5717 80 A 3.9491 8.1180 119.4551 55.2455 18.5278 179.7597 81 A 3.9683 8.2044 119.3389 54.9031 18.1882 179.8160 82 A 3.9233 7.9215 118.6363 55.4328 18.6083 179.5454 83 A 4.1721 7.8851 117.8987 53.9770 19.7071 177.4739 84 H 4.7924 8.4091 115.0525 52.6692 29.3734 172.1735 85 P 4.9652 0.0000 0.0000 64.0576 31.4391 177.9668 86 E 4.0054 8.2782 116.8592 59.0364 29.6077 178.0038 87 L 4.4927 8.3024 119.1401 55.2350 41.9732 178.5681 88 G 3.9331 8.0450 107.0229 47.7619 0.0000 173.9447 89 P 4.2819 0.0000 0.0000 64.8307 31.2679 178.5845 90 L 3.9725 7.9113 118.7954 57.9209 42.2076 178.5599 91 W 4.6068 8.3929 128.3495 60.8378 30.6154 177.9583 92 Q 3.6979 8.5514 118.0737 58.6516 28.1081 178.6286 93 A 3.9214 8.2066 121.9869 54.8960 18.4073 179.2083 94 L 3.8692 8.1558 119.2185 58.5657 42.1579 179.2203 95 Q 3.6540 7.6435 117.4055 58.8231 28.5645 178.9009 96 A 3.9014 7.8672 121.5913 55.2284 18.3585 179.4548 97 N 4.2696 8.6146 115.2427 56.3615 38.4961 177.5501 98 A 3.9626 8.4228 122.4463 55.0042 18.4477 179.6070 99 A 3.8883 8.0269 119.3652 55.1723 18.3815 179.5912 100 Q 3.8635 8.1123 117.8890 59.2576 29.0914 178.2439 101 A 3.9867 8.2636 122.0628 55.4406 18.4316 179.8296 102 R 3.8691 8.2937 116.7529 59.2799 30.0894 178.9300 103 E 3.9189 8.3021 119.1031 59.6154 29.6468 178.4210 104 H 4.1736 8.4780 118.4794 59.1856 29.9098 176.7386 105 N 4.2746 8.5862 119.3910 56.7609 38.9375 176.6966 106 Q 3.9636 8.2345 121.0181 59.0007 29.0452 178.0105 107 R 3.8963 8.1993 119.8983 59.6550 30.1289 178.3027 108 N 4.4463 8.5168 116.4264 56.2047 38.2526 177.6377 109 G 3.6888 7.9167 106.5206 48.0394 0.0000 175.6853 110 T 4.0613 7.8734 117.7282 66.3575 68.4359 176.7145 111 L 3.9802 8.1406 122.4824 58.0094 41.9600 178.7893 112 I 3.6648 8.2657 120.1803 64.5476 37.0018 178.1115 113 A 3.9628 7.9105 121.2504 55.0551 18.1880 179.6676 114 V 3.5147 7.7998 116.3146 66.1882 31.5622 177.5902 115 N 4.2872 8.4321 116.7991 56.8352 38.8041 176.7688 116 L 4.0195 8.1262 120.5034 58.0070 41.6862 179.8449 117 R 3.9793 8.2711 118.2047 59.0515 30.0020 178.4165 118 H 4.1249 8.6610 118.6402 59.6075 29.8315 177.2573 119 T 3.7976 7.9770 117.3319 66.7389 68.2579 176.0718 120 Q 3.9425 8.3208 121.5812 59.5465 29.0289 178.5958 121 E 3.9602 8.2921 119.3186 59.3442 29.2504 179.5105 122 S 4.0527 7.8548 114.2886 61.6674 63.1301 176.4930 123 L 4.1146 8.0780 121.7948 57.8161 41.3952 179.1057 124 D 4.3644 8.5425 118.0050 56.9484 40.8978 178.0512 125 A 4.0975 7.7989 120.6476 54.5839 18.8192 178.8901 126 L 4.1684 7.6697 116.3636 56.4720 41.5674 179.1442 127 R 4.0607 7.8010 119.9024 59.0062 30.3462 177.3615 128 Q 4.3386 7.4815 119.6982 55.7305 29.9936 178.7384 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 N 8.27 4.75 0.00 2.96 3.07 0.00 0.00 5.89 6.51 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 3 S 8.53 3.99 0.00 4.15 4.15 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 4 A 8.21 3.98 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 5 A 8.21 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.83 3.93 0.00 1.88 1.82 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.22 3.88 0.00 1.99 1.96 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 S 8.29 4.06 0.00 3.91 4.01 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 9 C 8.07 4.06 0.00 3.04 3.07 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 0.00 0.00 0.00 10 L 8.04 3.96 0.00 1.85 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.37 3.95 0.00 2.25 2.02 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 2.34 2.47 0.00 12 R 8.03 4.00 0.00 2.00 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 13 E 8.51 3.93 0.00 2.22 1.98 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 2.31 2.38 0.00 14 N 8.69 4.26 0.00 2.85 2.97 0.00 0.00 7.14 8.34 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 15 A 8.39 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 3.98 0.00 1.84 1.74 0.92 0.72 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 17 V 7.92 3.60 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 0.88 0.00 0.00 0.94 0.00 0.00 18 V 8.13 3.63 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 0.87 0.00 0.00 0.95 0.00 0.00 19 E 8.30 3.95 0.00 2.27 2.02 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 2.36 2.48 0.00 20 F 8.73 4.03 0.00 3.19 3.21 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 21 L 8.58 4.04 0.00 1.84 1.75 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.16 4.33 0.00 3.33 3.30 0.00 5.64 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 23 A 8.31 3.93 1.13 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 0.00 0.00 0.00 24 L 8.18 3.74 0.00 1.76 1.66 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.29 3.95 0.00 2.21 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 2.33 2.34 0.00 26 A 8.01 3.91 1.34 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 0.00 0.00 27 E 8.24 3.81 0.00 1.95 2.12 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 2.28 2.33 0.00 28 T 8.04 3.82 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 1.20 0.00 0.00 29 E 8.13 4.04 0.00 2.09 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 0.00 2.31 2.47 0.00 30 A 7.94 4.19 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 31 L 7.69 4.29 0.00 1.75 1.69 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *33 D 7.84 4.29 0.00 2.82 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 34 R 8.23 4.61 0.00 1.85 1.91 0.00 3.34 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 35 R 8.25 3.91 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 36 A 7.96 3.99 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 37 H 8.13 4.12 0.00 3.26 3.51 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.67 3.91 0.00 2.01 1.98 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 2.35 2.53 0.00 39 S 8.32 4.10 0.00 4.02 3.92 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 40 L 7.91 3.90 0.00 1.82 1.78 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.23 3.93 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 42 A 8.36 3.94 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 43 A 8.14 3.92 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 44 V 8.15 3.51 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 1.10 0.00 0.00 0.96 0.00 0.00 45 Q 8.29 3.97 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 46 R 8.03 3.89 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 47 K 8.13 3.90 0.00 2.00 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.59 7.81 48 E 8.36 3.95 0.00 2.16 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 2.33 2.48 0.00 49 T 7.84 3.85 4.37 0.00 0.00 0.00 0.00 0.00 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 50 L 8.27 3.97 0.00 1.79 1.72 0.91 0.90 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 51 A 8.25 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 52 D 8.18 4.26 0.00 2.96 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 53 D 8.38 4.40 0.00 2.79 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 54 L 8.40 4.03 0.00 1.87 1.73 0.93 0.75 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 55 A 8.10 4.04 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 56 Q 8.04 3.91 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 57 L 8.17 4.15 0.00 1.89 1.71 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.99 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 60 E 8.18 3.81 0.00 2.05 2.14 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 2.29 2.31 0.00 61 R 8.21 3.83 0.00 1.85 2.05 0.00 2.84 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 62 D 8.33 4.28 0.00 2.83 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 63 A 8.17 3.97 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 64 L 7.99 3.91 0.00 1.80 1.68 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.10 3.90 0.00 1.78 1.82 0.83 0.88 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 66 S 8.51 4.28 0.00 3.82 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 67 G 8.37 3.80 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 0.00 0.00 0.00 68 A 7.52 4.57 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 69 G 7.93 3.81 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 0.00 0.00 0.00 70 L 7.57 4.61 0.00 1.77 1.54 0.88 0.51 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 71 A 8.14 4.13 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 72 S 8.37 4.66 0.00 4.17 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 73 G 9.28 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 74 P 0.00 4.50 0.00 2.32 2.45 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 75 A 8.08 4.12 1.34 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 0.00 0.00 76 G 7.66 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.71 3.51 3.02 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 -0.49 0.00 0.00 78 D 8.69 4.50 0.00 2.92 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 79 A 7.94 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 3.95 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 81 A 8.20 3.97 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 82 A 7.92 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.89 4.17 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 84 H 8.41 4.79 0.00 3.24 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.97 0.00 2.28 2.32 0.00 3.88 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 2.08 1.88 0.00 86 E 8.28 4.01 0.00 2.16 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 0.00 2.31 2.37 0.00 87 L 8.30 4.49 0.00 1.84 1.76 0.87 1.06 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 88 G 8.04 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 0.00 0.00 0.00 89 P 0.00 4.28 0.00 2.20 2.13 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 2.14 2.16 0.00 90 L 7.91 3.97 0.00 1.81 1.91 0.97 1.00 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 91 W 8.39 4.61 0.00 3.33 3.21 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 92 Q 8.55 3.70 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 93 A 8.21 3.92 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 94 L 8.16 3.87 0.00 1.85 1.97 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.64 3.65 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 96 A 7.87 3.90 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 97 N 8.61 4.27 0.00 2.78 2.87 0.00 0.00 6.95 7.85 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 98 A 8.42 3.96 1.34 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 0.00 0.00 99 A 8.03 3.89 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 0.00 100 Q 8.11 3.86 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 101 A 8.26 3.99 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 0.00 102 R 8.29 3.87 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 103 E 8.30 3.92 0.00 2.03 2.12 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 2.30 2.31 0.00 104 H 8.48 4.17 0.00 3.35 3.36 0.00 5.66 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 0.00 105 N 8.59 4.27 0.00 3.00 2.92 0.00 0.00 6.86 6.36 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 0.00 106 Q 8.23 3.96 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 107 R 8.20 3.90 0.00 2.06 2.08 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 108 N 8.52 4.45 0.00 2.93 2.86 0.00 0.00 6.95 7.11 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 0.00 109 G 7.92 3.69 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 0.00 0.00 0.00 110 T 7.87 4.06 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 111 L 8.14 3.98 0.00 1.91 1.85 0.92 1.26 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 0.00 112 I 8.27 3.66 2.02 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 0.70 0.92 0.00 0.00 113 A 7.91 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.80 3.51 2.25 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 1.05 0.00 0.00 0.99 0.00 0.00 115 N 8.43 4.29 0.00 2.79 2.99 0.00 0.00 7.27 7.27 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 0.00 116 L 8.13 4.02 0.00 1.87 1.71 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.27 3.98 0.00 2.09 1.98 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 118 H 8.66 4.12 0.00 3.28 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.98 3.80 4.40 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 1.21 0.00 0.00 120 Q 8.32 3.94 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 121 E 8.29 3.96 0.00 2.11 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 2.32 2.34 0.00 122 S 7.85 4.05 0.00 3.77 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 0.00 123 L 8.08 4.11 0.00 1.66 1.70 0.91 0.98 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 0.00 124 D 8.54 4.36 0.00 2.86 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 0.00 125 A 7.80 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.67 4.17 0.00 1.77 1.71 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.80 4.06 0.00 1.90 2.00 0.00 3.37 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 128 Q 7.48 4.34 0.00 2.09 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.