NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3669 8.2649 123.6184 51.8987 20.0830 176.5970 2 D 4.4160 8.3231 120.0374 54.2093 41.6429 174.3880 3 D 4.6072 8.8507 119.2384 55.4764 39.3836 174.7353 4 A 4.5615 6.9357 121.2415 50.0357 16.9650 175.8237 5 K 4.1735 7.6978 120.8347 53.9399 33.8544 173.5257 6 P 4.2156 0.0000 0.0000 62.4338 32.4129 176.0773 7 R 4.4804 9.3403 124.2466 54.5675 32.9501 173.8987 8 V 4.6873 8.4343 126.1221 60.8163 34.1478 174.2458 9 K 4.6217 8.9222 130.0412 54.8313 33.8854 175.1081 10 V 4.6326 8.1175 125.6058 59.7327 33.9700 172.2064 11 P 4.3567 0.0000 0.0000 63.6385 31.8403 176.3896 12 S 4.7930 8.6204 115.9997 59.2507 63.9145 173.3853 13 S 5.6790 8.0814 112.5148 58.9339 65.5744 173.4879 14 A 4.6986 8.1077 120.3343 50.3929 22.7449 175.4644 15 K 4.3704 9.3125 121.3705 55.8363 33.5724 176.4709 16 A 4.1777 8.6206 129.5354 54.3047 18.4714 177.9797 17 G 4.1105 9.4565 112.5663 44.3805 0.0000 173.2548 18 E 4.2833 8.1108 121.3119 56.1492 31.1048 175.6350 19 T 4.7792 8.4171 121.6530 63.3209 69.5486 174.5014 20 V 4.5781 8.8928 119.1494 59.8529 35.3254 174.7160 21 T 4.7950 8.4039 120.0180 62.5500 69.9748 174.2072 22 V 4.2145 8.4896 126.1410 60.8274 34.2216 174.3398 23 K 4.6358 8.7200 126.5076 54.4159 35.2208 174.8888 24 A 5.0170 8.9570 127.1638 49.9903 21.7909 174.4598 25 L 5.4949 9.2366 124.2688 52.5249 46.2817 175.0223 26 I 4.8362 8.0152 121.9318 58.8910 42.0586 173.5433 27 S 4.8492 8.2535 123.1303 58.2398 64.6509 172.4360 28 H 4.5321 9.4088 122.0447 56.2253 33.7388 172.6661 29 K 3.9987 9.0012 124.6957 57.5437 30.9083 178.6280 *31 E 4.0825 9.3188 131.2821 56.5469 30.6274 175.2297 32 S 4.0555 8.7231 122.0097 59.8262 63.5107 175.3528 33 G 4.3514 8.5379 107.1248 44.9991 0.0000 173.3889 34 Q 4.5140 7.7277 116.6975 55.4425 30.5258 175.9918 35 R 4.1979 7.7609 119.0663 55.6621 30.9729 174.8259 36 K 4.9954 8.2565 123.1037 54.4020 34.6358 176.2756 37 D 4.6506 8.7075 122.7486 52.2639 40.8121 176.7026 38 A 3.9007 8.5370 121.0429 55.0814 18.1846 177.8283 39 D 4.5100 8.2908 112.6634 54.0879 41.5943 176.9590 40 G 3.9488 8.3761 106.3872 46.1035 0.0000 173.7293 41 K 4.2830 8.1783 119.9456 55.0657 32.9319 176.6308 42 L 4.4365 8.3809 123.3756 55.0060 42.4700 176.6243 43 I 4.2196 9.0060 124.9580 59.4248 37.9443 173.8228 44 P 4.6468 0.0000 0.0000 62.3932 31.9321 176.3936 45 R 4.2536 8.4838 123.0393 57.0453 31.0698 176.5664 46 S 4.6884 8.9027 120.5390 57.9021 64.5120 173.0869 47 I 4.8748 9.4151 121.0385 58.5909 41.6851 174.7240 48 I 4.4327 8.2704 123.7355 61.4749 37.3647 175.8251 49 N 5.0849 8.9894 122.2570 52.0296 38.8284 174.3703 50 R 5.1022 7.6430 117.8564 55.7680 33.8216 172.8855 51 F 5.4046 8.9964 127.5751 56.6154 43.0097 173.3258 52 T 4.4565 8.1151 115.7413 59.5995 72.2047 172.1847 53 C 4.7259 8.0851 123.6619 57.4325 34.6791 172.3209 54 E 5.0009 8.8235 125.3526 54.3171 32.9849 174.6024 55 L 4.2137 8.7298 125.7567 53.2863 44.2969 176.2109 56 N 4.2181 9.5400 126.4294 54.4483 36.5505 175.6825 57 G 3.8791 8.2051 103.5648 44.5279 0.0000 173.6450 58 V 4.2631 7.2477 119.9600 60.3150 33.4470 174.3978 59 N 4.6229 8.5251 125.4678 53.9752 39.4555 174.2575 60 V 4.1225 8.6956 127.1778 64.8251 32.1071 176.1847 61 V 4.4139 7.0370 118.5170 60.0550 34.9996 172.6522 62 D 4.7471 8.3361 121.2256 52.6237 44.0511 174.3810 63 V 4.2745 8.7092 126.4845 60.8302 34.0168 174.1368 64 A 4.6070 8.6239 130.3733 51.5779 18.9352 176.1699 65 I 4.5778 8.8430 124.3805 59.8672 40.0666 175.3651 66 D 4.9354 8.5301 125.1917 51.5160 43.7252 175.3266 67 P 4.3189 0.0000 0.0000 65.3251 31.2444 177.5919 68 A 4.2677 7.8959 118.9255 52.7304 18.8431 177.6538 69 V 3.8455 7.6727 116.9622 62.0909 32.1713 176.1537 70 S 4.3674 8.4197 120.8612 57.8534 63.7029 173.7602 71 T 3.8381 8.3580 117.2779 65.5491 69.0669 173.6716 72 N 4.8339 9.2227 121.1404 52.2928 36.1993 172.3879 73 P 4.2200 0.0000 0.0000 63.2127 32.9666 176.0472 74 Y 4.9037 7.9960 123.7825 55.6938 41.3400 174.5268 75 F 4.8612 8.4128 124.5527 55.5785 43.0561 173.2929 76 E 5.3234 8.9036 123.8548 53.4239 32.4250 174.4129 77 F 4.8921 7.5160 119.5594 56.6037 41.4114 171.8530 78 D 5.4544 9.0114 117.8869 52.4836 43.5786 175.4951 79 A 4.9410 9.1016 125.0419 50.0314 22.2090 175.0404 80 K 4.4702 8.6960 122.7501 55.3545 33.4813 176.5784 81 V 4.1000 8.7192 129.2664 61.9216 30.9478 175.6304 82 D 4.2682 8.5276 127.2577 55.5187 41.6605 176.4118 83 A 4.5859 7.2950 118.8471 50.5622 21.9129 175.6001 84 A 4.4521 8.4269 122.8678 51.4675 20.5661 181.0645 85 G 4.4426 7.2083 111.5722 45.9172 0.0000 175.2992 86 E 5.0929 7.8758 121.4540 54.4979 32.9924 172.8673 87 F 4.8349 9.3070 121.2818 56.9811 40.7650 174.4410 88 K 4.9414 8.9153 124.5711 54.6179 34.9043 174.4467 89 F 4.9639 9.4720 126.5054 55.9353 41.8081 174.7974 90 T 5.1312 8.0329 119.1970 61.5588 72.6152 172.8244 91 W 5.4099 9.6009 125.9080 55.1760 32.7336 173.9603 92 Y 4.8304 9.3693 122.9521 56.3532 39.5391 174.5427 93 D 5.0221 8.9028 125.2848 53.4617 42.2735 176.9150 94 D 4.4914 9.3643 126.0152 57.7190 40.9951 177.7650 95 D 4.5172 8.8468 116.4136 53.8764 39.7020 177.0188 96 G 4.0627 8.0282 108.7137 45.3734 0.0000 174.4921 97 S 4.2441 8.5195 116.3599 58.4703 64.2064 173.5034 98 V 4.3270 7.8394 121.7300 61.3300 33.7034 174.0916 99 Y 5.0591 8.6274 126.0063 56.6662 40.2072 174.7428 100 E 5.6050 8.9397 121.1800 55.0113 34.0347 174.3714 101 D 5.0761 9.6261 121.2721 52.7691 45.3754 174.0852 102 V 5.1750 8.6913 123.6931 61.1572 34.5588 174.6075 103 K 4.8344 9.4666 126.7147 54.0801 35.5627 174.0357 104 P 4.9588 0.0000 0.0000 62.4826 32.5201 175.6671 105 I 4.8750 8.8804 123.0635 59.3497 41.3297 174.2050 106 A 4.9530 8.9669 130.7843 50.6108 21.7614 175.5366 107 V 4.7913 8.2749 118.8190 61.0356 33.4648 175.4793 108 A 4.4328 8.6653 128.9966 52.0580 18.6976 175.6490 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 1 A 8.26 4.37 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 2 D 8.32 4.42 0.00 2.78 2.57 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 3 D 8.85 4.61 0.00 2.72 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 4 A 6.94 4.56 0.27 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 5 K 7.70 4.17 0.00 1.77 1.56 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.40 7.81 6 P 0.00 4.22 0.00 2.11 1.62 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.74 0.00 7 R 9.34 4.48 0.00 1.69 1.69 0.00 3.16 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 8 V 8.43 4.69 1.81 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 0.36 0.00 0.00 0.36 0.00 0.00 9 K 8.92 4.62 0.00 1.79 1.61 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.32 7.81 10 V 8.12 4.63 1.84 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 0.65 0.00 0.00 0.70 0.00 0.00 11 P 0.00 4.36 0.00 2.20 2.08 0.00 3.67 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 2.06 2.14 0.00 12 S 8.62 4.79 0.00 3.82 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 13 S 8.08 5.68 0.00 3.93 3.82 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 14 A 8.11 4.70 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 15 K 9.31 4.37 0.00 1.90 1.82 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.45 7.81 16 A 8.62 4.18 1.26 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 0.00 0.00 0.00 17 G 9.46 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 18 E 8.11 4.28 0.00 2.13 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 2.33 2.31 0.00 19 T 8.42 4.78 4.27 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 1.25 0.00 0.00 20 V 8.89 4.58 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 0.84 0.00 0.00 1.11 0.00 0.00 21 T 8.40 4.79 4.20 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 1.21 0.00 0.00 22 V 8.49 4.21 0.73 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 0.83 0.00 0.00 0.56 0.00 0.00 23 K 8.72 4.64 0.00 1.66 1.71 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.26 7.81 24 A 8.96 5.02 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 25 L 9.24 5.49 0.00 1.83 1.65 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.02 4.84 0.56 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 1.23 0.43 0.00 0.00 27 S 8.25 4.85 0.00 3.82 3.85 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 28 H 9.41 4.53 0.00 3.09 3.08 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 9.00 4.00 0.00 1.73 1.43 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.36 7.81 *31 E 9.32 4.08 0.00 2.09 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 2.33 2.48 0.00 32 S 8.72 4.06 0.00 4.04 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 33 G 8.54 4.35 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 0.00 34 Q 7.73 4.51 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 35 R 7.76 4.20 0.00 1.93 1.79 0.00 3.13 0.00 0.00 3.53 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 36 K 8.26 5.00 0.00 1.75 1.68 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.39 7.81 37 D 8.71 4.65 0.00 2.89 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 38 A 8.54 3.90 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 39 D 8.29 4.51 0.00 2.62 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 40 G 8.38 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 41 K 8.18 4.28 0.00 2.01 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.41 7.81 42 L 8.38 4.44 0.00 1.64 1.62 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 43 I 9.01 4.22 1.88 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 1.30 1.17 0.92 0.00 0.00 44 P 0.00 4.65 0.00 1.95 2.00 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 R 8.48 4.25 0.00 1.96 1.85 0.00 3.30 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 1.75 1.67 0.00 46 S 8.90 4.69 0.00 3.91 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 47 I 9.42 4.87 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 1.01 0.00 0.00 48 I 8.27 4.43 2.01 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 1.78 0.45 1.40 0.00 0.00 49 N 8.99 5.08 0.00 2.83 3.22 0.00 0.00 6.29 8.04 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 50 R 7.64 5.10 0.00 1.86 1.86 0.00 2.87 0.00 0.00 2.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 51 F 9.00 5.40 0.00 3.08 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.46 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 1.14 0.00 0.00 53 C 8.09 4.73 0.00 2.83 2.43 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 54 E 8.82 5.00 0.00 1.74 1.66 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 2.06 2.02 0.00 55 L 8.73 4.21 0.00 1.54 1.39 -0.06 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.54 4.22 0.00 2.75 2.76 0.00 0.00 7.12 8.14 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 57 G 8.21 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 0.00 0.00 0.00 58 V 7.25 4.26 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 0.98 0.00 0.00 0.88 0.00 0.00 59 N 8.53 4.62 0.00 2.62 2.63 0.00 0.00 6.99 7.71 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 60 V 8.70 4.12 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 1.07 0.00 0.00 1.07 0.00 0.00 61 V 7.04 4.41 1.61 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 -0.43 0.00 0.00 0.71 0.00 0.00 62 D 8.34 4.75 0.00 2.47 2.40 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 63 V 8.71 4.27 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 0.65 0.00 0.00 0.54 0.00 0.00 64 A 8.62 4.61 1.21 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 65 I 8.84 4.58 2.06 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 1.13 0.00 0.00 66 D 8.53 4.94 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.32 0.00 2.07 2.34 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 68 A 7.90 4.27 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 V 7.67 3.85 2.30 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 0.86 0.00 0.00 1.10 0.00 0.00 70 S 8.42 4.37 0.00 3.99 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 71 T 8.36 3.84 4.22 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 1.26 0.00 0.00 72 N 9.22 4.83 0.00 2.75 2.77 0.00 0.00 6.97 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 73 P 0.00 4.22 0.00 2.13 2.21 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 74 Y 8.00 4.90 0.00 2.74 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 75 F 8.41 4.86 0.00 2.74 2.91 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 0.00 76 E 8.90 5.32 0.00 1.71 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 0.00 2.15 2.14 0.00 77 F 7.52 4.89 0.00 3.23 3.18 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 78 D 9.01 5.45 0.00 2.61 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 79 A 9.10 4.94 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.47 0.00 1.81 1.76 0.00 1.79 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 81 V 8.72 4.10 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 0.92 0.00 0.00 1.06 0.00 0.00 82 D 8.53 4.27 0.00 2.72 2.67 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 83 A 7.29 4.59 1.15 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 0.00 0.00 84 A 8.43 4.45 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 85 G 7.21 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.88 5.09 0.00 2.15 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 2.22 2.31 0.00 87 F 9.31 4.83 0.00 3.15 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 88 K 8.92 4.94 0.00 1.71 1.50 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.39 7.81 89 F 9.47 4.96 0.00 3.17 2.40 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 90 T 8.03 5.13 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 0.63 0.00 0.00 91 W 9.60 5.41 0.00 3.56 3.22 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 92 Y 9.37 4.83 0.00 2.98 2.91 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 0.00 93 D 8.90 5.02 0.00 2.77 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 94 D 9.36 4.49 0.00 2.77 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 95 D 8.85 4.52 0.00 2.79 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 96 G 8.03 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 0.00 0.00 0.00 97 S 8.52 4.24 0.00 3.49 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 98 V 7.84 4.33 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 0.54 0.00 0.00 0.87 0.00 0.00 99 Y 8.63 5.06 0.00 3.16 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 0.00 100 E 8.94 5.60 0.00 1.90 1.92 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 2.24 2.32 0.00 101 D 9.63 5.08 0.00 3.09 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 0.00 102 V 8.69 5.18 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 0.98 0.00 0.00 1.02 0.00 0.00 103 K 9.47 4.83 0.00 2.12 1.92 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.69 7.81 104 P 0.00 4.96 0.00 2.00 2.02 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 105 I 8.88 4.88 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.58 0.65 0.00 0.00 106 A 8.97 4.95 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 0.00 107 V 8.27 4.79 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 0.84 0.00 0.00 0.91 0.00 0.00 108 A 8.67 4.43 1.20 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.