NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 3.2448 8.1133 119.6114 54.9799 31.1747 175.9728 6 P 4.2720 0.0000 0.0000 61.3074 31.1392 174.8512 7 W 5.1565 7.6062 115.6515 55.0782 31.9954 174.7935 8 K 4.1718 8.9432 121.5738 59.3732 31.8511 176.0760 9 C 5.1823 7.9165 109.8706 54.4939 41.4269 173.7530 10 C 4.8960 8.8653 120.4528 55.4265 45.9660 174.7559 11 D 4.2128 9.8930 128.4842 56.6934 40.9713 176.4686 12 E 4.5917 8.1823 118.2131 54.1404 30.2279 173.1649 13 A 4.4631 7.9488 121.7395 50.4265 20.0251 177.4023 14 V 3.8685 8.5878 124.0289 63.4073 32.5061 174.3460 15 C 5.7269 8.5945 125.4522 55.0196 43.0557 174.4533 16 T 4.1979 8.6373 114.0005 61.3720 69.5305 174.2789 17 R 4.5789 8.2854 119.6912 56.0847 30.7255 176.4984 18 S 4.5887 7.8321 112.4722 56.9012 65.3451 172.9082 19 I 4.3369 7.9602 120.6013 58.8990 38.3492 174.0993 20 P 4.6356 0.0000 0.0000 60.7482 32.7572 173.9427 21 P 4.4557 0.0000 0.0000 62.9341 32.9868 175.3403 22 I 4.7576 8.8357 123.5193 60.2450 39.0586 174.0979 23 C 5.7144 9.5793 125.0839 55.7178 44.1273 173.3932 24 T 5.2602 8.6270 116.4999 62.2649 72.8313 172.1813 25 C 4.3696 8.3786 126.0614 55.8065 44.1790 172.8293 26 M 4.2789 8.4905 125.3473 55.0939 32.3698 176.4112 27 D 4.2877 7.8217 119.6575 54.3629 41.4369 176.0263 28 E 4.2105 8.5734 124.8983 56.1924 30.3151 176.0200 29 V 4.6225 8.0998 118.1304 59.8404 35.7200 174.6693 30 F 4.6631 8.8123 117.0380 59.4629 41.0114 177.0555 31 E 4.2787 8.6075 118.0453 58.8732 30.4789 178.5194 32 C 4.8090 7.4644 114.7212 56.6968 43.7011 176.2007 *36 C 4.7108 8.6830 114.9454 56.2065 43.8972 172.6831 37 K 4.1039 10.1191 127.7739 58.0088 32.4837 176.6093 38 S 4.6458 8.1815 115.4697 56.7579 64.6765 171.7851 39 C 5.1883 8.8489 124.9586 55.9640 37.4557 173.6214 40 G 4.1234 8.8631 109.0399 45.1223 0.0000 169.5731 41 P 5.1830 0.0000 0.0000 61.7881 32.7405 175.8840 42 S 4.4757 8.8811 117.4152 57.5423 63.4711 173.6690 43 M 3.9531 8.5610 123.5469 57.4883 33.2453 175.8347 44 G 3.9361 8.3901 110.8580 44.7025 0.0000 175.7101 45 D 4.3159 8.9577 129.6442 52.8413 38.5171 175.3867 46 P 4.4227 0.0000 0.0000 64.1167 31.6529 177.1090 47 S 4.1581 7.8598 112.8803 59.7837 62.8734 173.6725 48 R 4.2509 7.6064 121.4763 55.2599 29.7063 175.2011 49 R 4.7367 7.9853 124.9228 55.8802 31.7238 175.4314 50 I 4.9442 8.9585 115.1274 59.6401 41.8014 172.7290 51 C 4.7745 8.6003 123.4251 56.0276 44.0490 172.8774 52 Q 4.4783 8.9178 125.1298 56.0697 29.0340 175.6408 53 D 4.6120 8.1280 120.3533 54.3120 41.5673 175.7378 54 Q 5.0857 8.5843 122.7403 55.0937 30.9877 174.3940 55 Y 4.8375 9.6156 123.0182 55.9041 42.6578 174.3385 56 V 4.1884 8.2525 125.9801 63.8044 32.2965 174.5346 57 G 3.8314 8.4224 114.4441 42.6834 0.0000 171.8991 58 D 4.5175 8.5279 119.4790 53.9731 41.4039 174.8547 59 P 4.8050 0.0000 0.0000 64.4351 32.0571 175.9428 60 G 3.9038 7.8932 103.6994 43.3957 0.0000 171.2832 61 P 4.4708 0.0000 0.0000 62.4160 32.0938 175.2473 62 I 4.8241 7.8263 120.7210 59.5242 38.2935 176.5326 63 C 4.2919 9.0717 123.8845 60.0191 40.2173 174.9240 64 R 2.5100 7.9170 114.5445 55.0269 29.1683 174.8861 65 P 4.2242 0.0000 0.0000 62.2862 31.3722 176.4532 66 W 5.2356 6.7166 117.1908 54.6471 33.1054 174.7705 67 E 4.0766 9.0718 122.7586 59.3461 29.3237 175.1986 68 C 4.9351 7.8058 109.9999 55.3599 43.7277 173.2423 69 C 4.9216 9.0303 119.0552 55.8131 46.4324 174.0289 70 D 4.3119 9.6376 127.5526 56.0358 41.3378 177.1036 71 K 4.4448 8.8574 120.7577 54.3409 31.7857 173.8512 72 A 4.8021 7.9783 124.0567 49.8190 21.4740 175.8214 73 I 4.4732 8.1583 122.6752 59.7360 39.7177 174.3642 74 C 5.6163 8.6125 123.1952 55.1759 44.5109 173.8049 75 T 4.3205 8.3896 111.1446 61.2000 69.8256 174.4240 76 R 4.5728 8.2856 119.0761 56.1067 30.9522 177.0323 77 S 4.5351 7.8299 112.6094 57.2138 64.7366 172.2080 78 N 4.8476 8.2341 117.8286 51.0454 40.5589 172.1506 79 P 4.3662 0.0000 0.0000 61.9168 32.3460 174.4946 80 P 5.3689 0.0000 0.0000 61.2960 34.9499 173.5997 81 T 5.1572 8.2975 114.6077 62.4426 71.8881 172.9943 82 C 5.6129 9.8214 122.8316 55.2059 39.5419 173.0203 83 R 5.4154 8.5756 120.6726 53.7079 32.8724 173.1024 84 C 4.4872 8.8026 127.0404 55.7193 44.1122 173.1173 85 V 4.2681 8.0744 119.0447 61.1914 31.9664 176.1152 86 D 4.3276 7.8905 121.3253 54.4416 41.1383 175.5433 87 E 4.5128 8.6308 123.4948 55.1240 30.2775 175.6036 88 V 4.4627 8.3784 123.3993 60.9563 34.4032 175.0491 89 K 4.3258 8.3277 119.2852 56.9191 32.5999 177.2406 90 K 4.3200 7.4108 117.4312 55.5327 34.8648 175.6481 91 C 4.6351 8.7028 123.7169 56.1144 39.1017 172.8474 92 A 4.4261 8.2223 123.4768 51.0251 18.6810 176.8943 93 P 4.3918 0.0000 0.0000 64.7960 31.3732 177.0424 94 T 4.2018 7.5708 108.6386 61.6544 69.5621 174.4722 95 C 4.4369 8.1117 124.3638 55.7959 44.2508 173.0197 96 K 3.9476 9.3502 129.5559 59.2518 32.2777 176.9174 97 T 4.3557 8.8543 118.7846 61.9306 69.4972 172.7266 98 C 4.8512 8.7176 127.6861 55.0682 43.8770 173.8103 99 L 4.5678 8.4103 132.2667 53.9452 41.9588 176.8956 *108 R 4.2640 7.6327 113.7839 56.3578 31.5889 174.7597 109 V 4.7354 7.8166 117.8513 61.5182 35.6428 173.9969 110 C 5.2957 8.8992 126.4963 55.3682 44.1823 173.3305 111 I 4.0492 8.4307 119.3289 61.0098 38.3463 175.9209 112 D 4.4507 8.0679 121.8719 55.4740 41.0691 175.3990 113 S 5.2020 8.4094 117.3267 56.7106 63.1619 171.4392 114 Y 4.4794 9.2400 127.6562 56.7887 40.1064 173.4374 115 F 4.7936 8.7706 129.3744 56.7179 40.2710 175.5164 116 G 3.3433 6.8812 114.3017 45.1606 0.0000 169.7784 117 P 4.3662 0.0000 0.0000 62.2294 31.9671 176.3015 118 V 3.7935 8.1399 120.7345 62.0383 32.0375 174.1730 119 P 4.7017 0.0000 0.0000 62.1749 32.0314 174.3869 120 P 4.5138 0.0000 0.0000 62.8419 32.7349 175.6510 121 R 5.1389 8.2840 120.4428 55.9919 30.3383 177.6958 122 C 4.3896 9.1319 120.4149 59.2662 40.6576 174.2005 123 T 4.6056 8.3163 116.9263 60.5297 69.8615 172.4810 124 P 4.3843 0.0000 0.0000 63.7857 32.1190 177.2056 125 R 4.1640 8.1817 117.0023 57.1643 30.0885 175.1749 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 5 R 8.11 3.24 0.00 1.18 0.66 0.00 2.21 0.00 0.00 3.08 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.82 0.00 6 P 0.00 4.27 0.00 2.29 2.30 0.00 2.39 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 7 W 7.61 5.16 0.00 3.46 3.13 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 8 K 8.94 4.17 0.00 1.84 1.95 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 9 C 7.92 5.18 0.00 3.25 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 10 C 8.87 4.90 0.00 1.87 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.89 4.21 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.59 0.00 1.79 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 2.18 2.19 0.00 13 A 7.95 4.46 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 14 V 8.59 3.87 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 0.92 0.00 0.00 0.89 0.00 0.00 15 C 8.59 5.73 0.00 2.88 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 16 T 8.64 4.20 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 17 R 8.29 4.58 0.00 1.81 1.97 0.00 3.20 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 18 S 7.83 4.59 0.00 3.96 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 19 I 7.96 4.34 1.86 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 1.47 0.68 0.90 0.00 0.00 20 P 0.00 4.64 0.00 2.10 2.01 0.00 3.73 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 1.90 1.88 0.00 21 P 0.00 4.46 0.00 2.17 2.23 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 22 I 8.84 4.76 1.89 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 1.21 0.83 0.93 0.00 0.00 23 C 9.58 5.71 0.00 3.28 3.19 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 24 T 8.63 5.26 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 1.27 0.00 0.00 25 C 8.38 4.37 0.00 1.23 2.50 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 0.00 26 M 8.49 4.28 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 27 D 7.82 4.29 0.00 2.56 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 28 E 8.57 4.21 0.00 1.81 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 1.69 2.11 0.00 29 V 8.10 4.62 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 0.84 0.00 0.00 0.90 0.00 0.00 30 F 8.81 4.66 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 31 E 8.61 4.28 0.00 2.02 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 0.00 2.39 2.40 0.00 32 C 7.46 4.81 0.00 2.92 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 0.00 0.00 0.00 0.00 *36 C 8.68 4.71 0.00 3.07 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 37 K 10.12 4.10 0.00 1.67 2.16 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.38 7.81 38 S 8.18 4.65 0.00 3.90 3.71 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 39 C 8.85 5.19 0.00 2.90 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 40 G 8.86 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 41 P 0.00 5.18 0.00 2.06 2.12 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 42 S 8.88 4.48 0.00 3.80 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 43 M 8.56 3.95 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 44 G 8.39 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 45 D 8.96 4.32 0.00 2.85 2.88 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 46 P 0.00 4.42 0.00 2.19 2.20 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 47 S 7.86 4.16 0.00 3.85 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 0.00 48 R 7.61 4.25 0.00 2.09 1.86 0.00 3.23 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 49 R 7.99 4.74 0.00 1.73 1.73 0.00 3.11 0.00 0.00 3.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.56 0.00 50 I 8.96 4.94 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.11 0.87 0.00 0.00 51 C 8.60 4.77 0.00 3.05 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 52 Q 8.92 4.48 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 53 D 8.13 4.61 0.00 2.87 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 54 Q 8.58 5.09 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 55 Y 9.62 4.84 0.00 2.62 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 56 V 8.25 4.19 1.76 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 0.68 0.00 0.00 0.82 0.00 0.00 57 G 8.42 3.83 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 0.00 0.00 0.00 58 D 8.53 4.52 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.81 0.00 2.45 2.44 0.00 3.90 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 2.11 2.07 0.00 60 G 7.89 3.90 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 0.00 0.00 0.00 61 P 0.00 4.47 0.00 2.21 1.98 0.00 3.65 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 2.12 2.12 0.00 62 I 7.83 4.82 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.29 0.90 0.00 0.00 63 C 9.07 4.29 0.00 3.28 3.28 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 64 R 7.92 2.51 0.00 0.99 1.12 0.00 3.40 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 65 P 0.00 4.22 0.00 0.52 1.59 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 66 W 6.72 5.24 0.00 3.39 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 67 E 9.07 4.08 0.00 1.96 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 2.32 2.32 0.00 68 C 7.81 4.94 0.00 3.27 3.03 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 69 C 9.03 4.92 0.00 2.43 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.64 4.31 0.00 2.70 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 71 K 8.86 4.44 0.00 1.64 1.67 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 A 7.98 4.80 0.99 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 0.00 0.00 0.00 0.00 0.00 73 I 8.16 4.47 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.90 0.00 0.00 74 C 8.61 5.62 0.00 2.79 3.04 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 75 T 8.39 4.32 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 76 R 8.29 4.57 0.00 1.81 1.97 0.00 3.20 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 77 S 7.83 4.54 0.00 4.03 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 78 N 8.23 4.85 0.00 2.64 2.73 0.00 0.00 6.99 7.69 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 79 P 0.00 4.37 0.00 1.16 1.67 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.20 0.00 80 P 0.00 5.37 0.00 2.15 2.36 0.00 3.84 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 2.07 1.80 0.00 81 T 8.30 5.16 4.34 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 1.34 0.00 0.00 82 C 9.82 5.61 0.00 3.03 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 83 R 8.58 5.42 0.00 1.99 1.79 0.00 3.18 0.00 0.00 3.44 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 84 C 8.80 4.49 0.00 1.23 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 0.00 0.00 0.00 85 V 8.07 4.27 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 0.69 0.00 0.00 0.95 0.00 0.00 86 D 7.89 4.33 0.00 2.56 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 87 E 8.63 4.51 0.00 1.95 1.89 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 2.26 2.28 0.00 88 V 8.38 4.46 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 0.91 0.00 0.00 0.96 0.00 0.00 89 K 8.33 4.33 0.00 1.79 1.84 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.36 7.81 90 K 7.41 4.32 0.00 1.67 1.64 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.43 7.81 91 C 8.70 4.64 0.00 3.02 3.05 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 92 A 8.22 4.43 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 93 P 0.00 4.39 0.00 2.17 2.18 0.00 3.74 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 1.96 1.95 0.00 94 T 7.57 4.20 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 1.17 0.00 0.00 95 C 8.11 4.44 0.00 3.02 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 96 K 9.35 3.95 0.00 1.71 2.10 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 97 T 8.85 4.36 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 1.23 0.00 0.00 98 C 8.72 4.85 0.00 2.91 3.01 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 L 8.41 4.57 0.00 1.67 1.64 0.94 0.83 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 *108 R 7.63 4.26 0.00 1.90 2.12 0.00 3.09 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.60 0.00 109 V 7.82 4.74 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 1.11 0.00 0.00 0.95 0.00 0.00 110 C 8.90 5.30 0.00 3.17 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 0.00 111 I 8.43 4.05 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.96 0.00 0.00 112 D 8.07 4.45 0.00 2.81 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 0.00 113 S 8.41 5.20 0.00 3.94 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 0.00 114 Y 9.24 4.48 0.00 2.80 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 0.00 115 F 8.77 4.79 0.00 2.97 2.76 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 0.00 116 G 6.88 3.34 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 0.00 117 P 0.00 4.37 0.00 2.13 2.03 0.00 3.84 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 2.07 2.09 0.00 118 V 8.14 3.79 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 0.80 0.00 0.00 0.93 0.00 0.00 119 P 0.00 4.70 0.00 2.07 2.28 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.43 0.00 120 P 0.00 4.51 0.00 2.14 2.23 0.00 3.78 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 2.10 2.02 0.00 121 R 8.28 5.14 0.00 1.68 2.04 0.00 3.28 0.00 0.00 3.85 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 122 C 9.13 4.39 0.00 3.22 3.13 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 0.00 123 T 8.32 4.61 4.29 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 1.20 0.00 0.00 124 P 0.00 4.38 0.00 2.17 2.05 0.00 3.79 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 1.98 1.95 0.00 125 R 8.18 4.16 0.00 1.79 1.65 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.10 0.00 * Residues marked with a * may have inaccurate shift predictions.