NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-12 H 4.7635 8.5445 117.3749 53.5324 30.7543 175.1987 *-11 W 4.5997 8.0910 118.2832 56.3900 26.8266 178.0928 -10 G 3.9336 8.9974 106.3585 48.7888 0.0000 174.2919 -9 S 4.5040 7.4037 117.7731 54.8873 62.9951 176.9215 -8 P 4.8898 0.0000 0.0000 62.1117 34.2564 173.1337 -7 N 5.2199 8.6339 112.6453 51.6495 41.2800 172.5358 -6 S 4.9576 8.5613 115.5791 56.0416 65.6016 173.6260 -5 S 4.6676 8.1568 115.9718 56.4446 65.8970 173.7040 -4 S 4.2822 8.5286 116.7190 58.6512 62.7206 174.3078 -3 V 4.2047 8.2439 117.8994 61.6764 31.9936 175.9903 -2 D 4.8349 8.1711 119.7938 53.7999 40.8210 176.6049 -1 K 4.1093 7.8994 119.5992 56.4092 32.5471 177.1671 0 L 4.0966 8.6737 124.2768 57.5253 41.7569 176.5231 1 M 4.8651 7.5101 114.4447 53.6079 36.1090 173.9047 2 D 4.7858 8.3156 118.8716 53.7437 42.6208 176.2737 3 T 4.6949 8.2568 118.5571 62.5831 70.0907 173.9741 4 I 5.1436 8.8434 120.7450 59.2672 40.7315 174.9478 5 V 5.7274 8.6073 121.5236 59.6428 35.3442 173.8768 6 A 4.6917 8.1853 120.1816 51.3465 22.4155 175.4680 7 V 4.2940 8.5937 120.2563 62.7720 31.7291 175.9147 8 A 4.4061 9.3208 130.1370 52.9280 19.1816 176.9126 9 T 4.5609 7.5483 104.9431 58.8799 71.3212 173.1161 10 P 4.4233 0.0000 0.0000 61.7368 32.0325 174.8791 11 P 4.3344 0.0000 0.0000 63.2777 32.0139 174.7716 12 G 3.8920 8.4175 105.0389 43.6006 0.0000 173.4631 13 K 4.4272 8.3099 118.9405 56.2292 33.0774 176.5679 14 G 4.0471 8.1037 107.2972 45.6894 0.0000 174.1278 15 A 4.2710 8.5158 121.1427 54.2065 19.4260 177.7972 16 I 5.1165 7.6525 113.1275 59.5920 41.2743 175.1090 17 A 4.8205 8.8520 125.3870 50.3192 23.2253 174.9553 18 I 5.0573 8.5694 119.7727 59.4114 41.1226 174.5866 19 L 5.1224 8.8492 126.3640 53.0307 44.5061 175.5986 20 R 5.0149 8.7002 122.7111 54.3976 33.1203 175.2220 21 L 5.5091 8.6590 121.6752 53.1734 46.0586 175.5395 22 S 5.0893 10.0346 116.7201 56.8038 66.1978 173.2527 23 G 4.5106 8.5548 112.1546 42.2064 0.0000 172.6597 24 P 4.1961 0.0000 0.0000 65.0573 31.5228 176.9662 25 D 4.9095 8.2291 117.4806 53.9803 41.4212 178.0965 26 S 4.1646 8.0688 117.3293 61.4323 62.7284 176.5205 27 W 4.4157 8.5970 122.5405 59.4694 28.9221 178.5838 28 K 4.1832 8.3374 118.0802 59.9732 31.9027 179.0206 29 I 3.8000 7.7046 120.5984 63.9600 37.2553 178.2047 30 V 3.8764 7.6244 119.1491 65.8549 31.6034 177.5242 31 Q 4.1147 8.5125 119.7031 59.5327 28.6219 178.7302 32 K 4.1401 8.3279 118.8520 58.9240 32.2555 176.5410 33 H 4.7874 8.6791 114.8160 55.2013 31.4360 172.1041 34 L 4.9625 8.1166 121.6935 53.5918 43.3079 175.8848 35 R 4.5805 9.8121 129.4632 55.5041 30.9247 174.7742 36 T 5.0255 8.3542 119.8079 61.1165 70.3531 173.2760 37 R 4.4213 8.6237 122.8190 57.0255 31.7373 177.4231 38 S 4.2843 7.5654 112.3139 57.6125 62.9449 173.7330 39 K 4.0749 8.3658 126.6822 55.9605 32.4768 176.8099 40 I 3.7689 8.0418 117.3989 60.2234 37.4328 175.6472 41 V 4.4829 7.6764 117.8237 58.1887 35.4291 173.3409 42 P 4.3976 0.0000 0.0000 64.6667 31.5944 176.1767 43 R 3.5379 8.8073 119.3990 56.8014 28.1818 175.6438 44 K 4.4496 7.3318 118.1591 54.1730 33.5046 175.4883 45 A 4.0993 8.7587 129.9408 52.8458 19.1074 176.2990 46 I 4.4111 9.0305 124.0501 60.2724 39.6184 175.0750 47 H 4.7458 8.9425 127.5692 55.9981 31.0114 174.8481 48 G 4.1328 7.3190 109.1028 46.2270 0.0000 171.4005 49 W 5.4172 8.7427 119.0958 54.9513 33.2352 174.7619 50 I 5.1878 8.9530 125.6292 60.3552 38.3865 174.5735 51 H 5.1500 9.0786 121.8906 53.6248 31.6545 173.5212 52 E 4.3348 8.4965 121.0718 56.8417 28.3038 175.7145 53 N 3.9390 8.7885 108.4381 57.1903 35.7813 172.9681 54 G 4.0259 8.2463 114.7506 45.3138 0.0000 172.0875 55 E 4.7177 7.9228 120.0626 53.3896 33.2434 175.4229 56 D 5.0959 8.6901 122.1636 55.0165 41.6490 176.2791 57 V 4.3693 8.8754 115.3876 62.8384 34.0534 175.5642 58 D 4.4984 7.7772 116.1715 53.5077 44.4672 174.1755 59 E 3.5496 8.2161 123.9210 55.0412 30.7438 175.4132 60 V 4.5265 8.2994 118.8250 59.9555 37.4617 173.8031 61 V 4.6693 8.6890 120.9603 61.2943 34.0971 174.3887 62 V 4.7577 9.0242 127.7583 61.0126 34.9937 174.4314 63 V 4.4542 8.1136 125.4073 61.2200 34.4071 174.2462 64 F 4.6378 8.6401 126.5143 56.4156 41.2004 174.3625 65 Y 5.0840 9.1674 119.6239 56.1510 41.3623 174.5371 66 K 4.1547 9.8757 125.8278 57.6228 33.1532 179.7025 67 S 3.4329 10.7700 119.7380 60.5241 65.2095 172.1691 68 P 4.1188 0.0000 0.0000 65.4420 31.6348 177.3756 69 K 4.3113 7.8062 127.6291 55.4074 30.9936 175.5257 70 S 4.4459 7.8112 118.9192 57.2897 65.6515 174.8418 71 Y 4.1704 8.3827 121.1433 60.6271 38.6680 177.5322 72 T 3.9847 8.0000 108.6899 61.9481 69.7290 176.2235 73 G 3.9801 8.5040 110.4384 44.7550 0.0000 172.6697 74 E 4.6526 7.6633 118.7595 54.4223 32.8490 174.9688 75 D 5.0143 8.4520 119.4881 55.4219 42.1212 175.8189 76 M 5.9071 9.6000 119.8240 53.8304 37.6789 174.1897 77 V 4.4780 8.2380 118.9876 61.5808 35.4400 173.0384 78 E 4.9101 8.9695 127.6703 54.6696 31.9080 175.0105 79 V 4.2591 8.8355 126.0412 61.5280 33.5080 174.4771 80 M 4.8737 9.1088 129.6956 54.2979 33.4317 175.1302 81 C 5.0969 8.5163 118.6648 55.8843 33.9716 172.8800 82 H 4.6066 9.0173 116.0138 55.3447 29.7407 177.3741 83 G 4.4303 8.0582 109.2520 45.9634 0.0000 173.2905 84 G 4.2669 8.2490 110.9479 43.6511 0.0000 173.7934 85 P 4.1956 0.0000 0.0000 65.7198 31.2709 178.5221 86 L 3.9030 7.8093 118.6247 58.1898 42.1927 179.2397 87 V 3.6222 7.7181 118.6966 64.8179 31.2538 178.2202 88 V 3.5474 7.9916 118.9821 65.5632 31.2536 177.9858 89 K 3.9235 7.9879 119.4938 59.3383 32.0023 178.9751 90 K 3.9077 8.1242 118.8151 59.4193 31.9749 179.3687 91 L 3.5126 7.9627 119.2775 57.3906 41.5349 179.2731 92 L 4.0348 8.0033 120.3878 58.3376 41.9841 178.7290 93 D 4.3412 8.3356 119.1885 57.1667 40.8413 178.4038 94 L 3.7884 7.7883 120.8343 58.3742 41.8988 179.2277 95 F 4.5679 7.6756 117.4815 60.4004 38.8318 177.7000 96 L 4.4715 8.0693 120.1009 57.3575 41.2844 179.5925 97 K 4.0853 8.1821 118.2152 59.1091 32.1018 177.9367 98 S 4.6854 7.5392 113.1789 58.4774 62.8847 173.9635 99 G 3.9231 7.6555 112.6669 45.7762 0.0000 174.9900 100 A 4.7322 8.0679 121.8570 51.4791 20.2723 176.6978 101 R 4.8747 8.5497 115.3280 54.0374 33.1575 175.1076 102 M 4.7221 8.6393 119.6579 55.6055 32.3604 176.4425 103 A 4.2311 8.7354 125.7649 52.0196 19.4182 177.0667 104 E 4.3915 9.4503 120.2152 54.1378 31.0732 174.5541 105 P 4.3362 0.0000 0.0000 64.5242 31.7010 177.2788 106 G 4.0135 9.1094 110.2308 46.1011 0.0000 174.7020 107 E 3.8661 8.4830 121.6858 59.1470 29.4822 178.7987 108 F 4.1639 8.0889 117.4907 60.9154 39.1188 177.6400 109 T 4.0991 8.1952 114.9971 66.3657 68.3639 176.6361 110 K 4.1097 8.4766 122.0009 59.7127 32.1546 179.1671 111 R 3.9480 8.2491 118.1235 58.8519 29.9345 178.8287 112 A 4.0725 7.7879 122.1710 54.4100 18.3478 179.4366 113 F 4.1771 8.2066 119.0839 61.5764 39.3587 177.4283 114 L 3.2734 7.4708 116.5835 56.5542 41.2514 178.1146 115 N 4.7873 7.3440 114.9993 52.5686 38.8227 175.2448 116 G 3.6304 7.4878 107.5634 45.9800 0.0000 173.7107 117 K 3.4818 8.1353 118.2194 57.1446 29.9309 176.5737 118 M 3.9516 7.5948 119.8919 55.9737 31.0427 178.2828 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 *-12 H 8.54 4.76 0.00 2.95 3.01 0.00 7.21 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-11 W 8.09 4.60 0.00 2.59 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 0.00 0.00 0.00 -10 G 9.00 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 -9 S 7.40 4.50 0.00 3.58 3.62 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 -8 P 0.00 4.89 0.00 2.02 1.80 0.00 3.65 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 1.72 1.44 0.00 -7 N 8.63 5.22 0.00 2.67 2.54 0.00 0.00 6.44 7.64 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 -6 S 8.56 4.96 0.00 3.93 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 -5 S 8.16 4.67 0.00 3.94 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 -4 S 8.53 4.28 0.00 3.85 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 -3 V 8.24 4.20 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 0.79 0.00 0.00 0.93 0.00 0.00 -2 D 8.17 4.83 0.00 2.62 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 -1 K 7.90 4.11 0.00 1.74 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 0 L 8.67 4.10 0.00 1.61 1.70 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.51 4.87 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 2 D 8.32 4.79 0.00 2.64 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 T 8.26 4.69 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 1.28 0.00 0.00 4 I 8.84 5.14 1.71 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.81 0.00 0.00 5 V 8.61 5.73 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 0.70 0.00 0.00 1.11 0.00 0.00 6 A 8.19 4.69 1.44 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 7 V 8.59 4.29 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 0.89 0.00 0.00 0.96 0.00 0.00 8 A 9.32 4.41 1.07 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 9 T 7.55 4.56 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 1.18 0.00 0.00 10 P 0.00 4.42 0.00 2.05 2.01 0.00 3.65 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 2.01 2.05 0.00 11 P 0.00 4.33 0.00 2.17 2.05 0.00 3.74 0.00 0.00 3.66 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 12 G 8.42 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.31 4.43 0.00 1.75 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 14 G 8.10 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 0.00 0.00 0.00 15 A 8.52 4.27 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 16 I 7.65 5.12 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.91 0.00 0.00 17 A 8.85 4.82 1.17 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 0.00 0.00 18 I 8.57 5.06 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.82 0.00 0.00 19 L 8.85 5.12 0.00 1.67 1.63 0.98 0.97 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 20 R 8.70 5.01 0.00 1.29 1.40 0.00 2.48 0.00 0.00 2.74 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.30 0.00 21 L 8.66 5.51 0.00 1.53 1.50 0.44 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 S 10.03 5.09 0.00 4.25 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 23 G 8.55 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.20 0.00 2.18 2.18 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 25 D 8.23 4.91 0.00 2.77 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 26 S 8.07 4.16 0.00 4.14 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 27 W 8.60 4.42 0.00 3.45 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 28 K 8.34 4.18 0.00 2.08 2.19 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.62 7.81 29 I 7.70 3.80 2.12 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 1.63 0.73 0.97 0.00 0.00 30 V 7.62 3.88 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 0.80 0.00 0.00 0.49 0.00 0.00 31 Q 8.51 4.11 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 32 K 8.33 4.14 0.00 1.90 1.99 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.45 7.81 33 H 8.68 4.79 0.00 3.18 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.12 4.96 0.00 1.89 1.83 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 R 9.81 4.58 0.00 1.94 2.11 0.00 3.06 0.00 0.00 3.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 36 T 8.35 5.03 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 1.31 0.00 0.00 37 R 8.62 4.42 0.00 1.86 1.97 0.00 3.45 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 38 S 7.57 4.28 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.07 0.00 1.74 1.69 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.46 7.81 40 I 8.04 3.77 0.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.29 0.55 0.00 0.00 41 V 7.68 4.48 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 0.93 0.00 0.00 0.89 0.00 0.00 42 P 0.00 4.40 0.00 2.14 2.23 0.00 3.92 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.74 0.00 43 R 8.81 3.54 0.00 1.91 2.00 0.00 3.24 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 44 K 7.33 4.45 0.00 1.75 1.72 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.37 7.81 45 A 8.76 4.10 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 46 I 9.03 4.41 2.04 0.00 0.00 0.76 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 1.04 0.94 0.00 0.00 47 H 8.94 4.75 0.00 3.12 3.21 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.32 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 0.00 0.00 0.00 0.00 49 W 8.74 5.42 0.00 3.25 3.15 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 I 8.95 5.19 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 0.91 0.00 0.00 51 H 9.08 5.15 0.00 3.26 3.49 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.50 4.33 0.00 1.91 1.90 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 2.23 2.23 0.00 53 N 8.79 3.94 0.00 2.87 2.96 0.00 0.00 7.36 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 54 G 8.25 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 55 E 7.92 4.72 0.00 2.00 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 2.27 2.29 0.00 56 D 8.69 5.10 0.00 2.73 2.93 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 57 V 8.88 4.37 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 0.64 0.00 0.00 0.97 0.00 0.00 58 D 7.78 4.50 0.00 2.74 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 59 E 8.22 3.55 0.00 1.16 1.12 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 1.75 1.47 0.00 60 V 8.30 4.53 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 0.49 0.00 0.00 0.84 0.00 0.00 61 V 8.69 4.67 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 0.81 0.00 0.00 0.87 0.00 0.00 62 V 9.02 4.76 2.06 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 0.29 0.00 0.00 0.84 0.00 0.00 63 V 8.11 4.45 1.94 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 0.37 0.00 0.00 0.85 0.00 0.00 64 F 8.64 4.64 0.00 2.21 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 65 Y 9.17 5.08 0.00 3.06 3.16 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 0.00 66 K 9.88 4.15 0.00 2.04 1.79 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.11 7.81 67 S 10.77 3.43 0.00 3.95 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 68 P 0.00 4.12 0.00 2.10 2.10 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 69 K 7.81 4.31 0.00 1.75 1.87 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.42 7.81 70 S 7.81 4.45 0.00 3.97 3.96 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 71 Y 8.38 4.17 0.00 2.89 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 72 T 8.00 3.98 4.28 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 1.60 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 74 E 7.66 4.65 0.00 2.01 1.91 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 2.33 2.28 0.00 75 D 8.45 5.01 0.00 2.83 2.61 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 0.00 0.00 0.00 0.00 76 M 9.60 5.91 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.60 0.00 77 V 8.24 4.48 1.77 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 0.10 0.00 0.00 0.67 0.00 0.00 78 E 8.97 4.91 0.00 1.97 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 2.20 2.50 0.00 79 V 8.84 4.26 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 1.08 0.00 0.00 0.75 0.00 0.00 80 M 9.11 4.87 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 81 C 8.52 5.10 0.00 3.24 2.98 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 82 H 9.02 4.61 0.00 3.15 3.24 0.00 5.81 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 83 G 8.06 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 0.00 0.00 0.00 0.00 84 G 8.25 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 0.00 0.00 0.00 0.00 85 P 0.00 4.20 0.00 2.16 2.13 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 86 L 7.81 3.90 0.00 1.75 1.65 0.91 0.93 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 87 V 7.72 3.62 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 0.79 0.00 0.00 0.94 0.00 0.00 88 V 7.99 3.55 2.28 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 1.06 0.00 0.00 0.96 0.00 0.00 89 K 7.99 3.92 0.00 1.96 1.95 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.47 7.81 90 K 8.12 3.91 0.00 1.90 1.78 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.71 1.61 7.81 91 L 7.96 3.51 0.00 1.74 1.46 0.91 0.20 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 92 L 8.00 4.03 0.00 1.84 1.86 1.02 1.36 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 93 D 8.34 4.34 0.00 2.77 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 94 L 7.79 3.79 0.00 1.57 1.31 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.68 4.57 0.00 3.16 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 96 L 8.07 4.47 0.00 2.08 1.75 1.08 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.18 4.09 0.00 1.74 2.07 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 98 S 7.54 4.69 0.00 4.18 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 99 G 7.66 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 0.00 0.00 0.00 100 A 8.07 4.73 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 0.00 101 R 8.55 4.87 0.00 1.87 2.02 0.00 2.77 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 102 M 8.64 4.72 0.00 1.95 2.07 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 2.63 2.53 0.00 103 A 8.74 4.23 1.07 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 0.00 104 E 9.45 4.39 0.00 1.96 1.86 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 2.26 2.52 0.00 105 P 0.00 4.34 0.00 2.05 2.04 0.00 3.76 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 2.05 2.12 0.00 106 G 9.11 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 0.00 0.00 0.00 107 E 8.48 3.87 0.00 2.01 1.75 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 2.05 2.25 0.00 108 F 8.09 4.16 0.00 3.28 3.37 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 0.00 109 T 8.20 4.10 4.51 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 0.00 0.00 0.00 1.31 0.00 0.00 110 K 8.48 4.11 0.00 1.96 2.01 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.63 7.81 111 R 8.25 3.95 0.00 1.88 1.93 0.00 3.29 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 112 A 7.79 4.07 1.03 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 0.00 113 F 8.21 4.18 0.00 3.12 3.25 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 0.00 114 L 7.47 3.27 0.00 1.47 1.48 0.88 0.68 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 0.00 115 N 7.34 4.79 0.00 2.73 2.74 0.00 0.00 7.11 9.00 0.00 0.00 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 G 7.49 3.63 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 0.00 0.00 0.00 117 K 8.14 3.48 0.00 1.93 1.91 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.41 7.81 118 M 7.59 3.95 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.