NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9219 8.0932 114.7940 57.7300 64.5914 174.1783 2 L 4.0668 8.3591 120.0771 57.1658 40.8765 178.2442 3 L 3.9755 8.5674 121.9146 58.1798 42.4946 178.7292 4 E 4.0376 7.8944 118.0423 59.3067 29.4371 178.7193 5 F 4.6678 8.8276 121.3501 61.4041 39.4170 177.4734 6 G 3.4611 8.5898 105.7487 47.4621 0.0000 175.6187 7 K 3.9531 7.8289 122.0343 60.0128 32.2392 177.7249 8 M 3.9070 8.3356 117.6780 58.9814 31.9184 177.8414 9 I 3.4978 8.2003 119.2956 64.5251 37.4239 178.1703 10 L 4.3867 7.9029 121.9634 57.7824 41.7943 178.4134 11 E 3.9745 8.5199 117.3485 59.7856 29.5601 179.1446 12 E 4.1179 8.1936 117.2176 59.5114 29.7883 179.0515 13 T 4.2644 7.8233 106.8538 61.7301 69.5884 175.6421 14 G 3.9708 8.4023 111.5257 45.6961 0.0000 173.6640 *16 K 4.2466 7.4546 116.7928 55.9182 33.0784 175.0213 17 L 4.3125 8.0829 120.8900 54.2857 42.7492 177.8010 18 A 3.8620 8.9133 126.2994 55.6402 17.9195 179.2748 19 I 3.8684 7.1488 116.8358 63.6121 37.7984 176.6022 20 P 4.3282 0.0000 0.0000 65.8940 31.8743 178.3168 21 S 4.4610 7.3747 113.6466 60.7547 62.6988 174.6842 22 Y 4.7242 7.9831 113.1621 57.6158 40.7299 175.6342 23 S 4.5450 8.4095 115.2439 58.9828 63.8545 175.4779 24 S 4.3661 7.7795 112.6136 57.5554 65.5329 172.8841 25 Y 4.3804 8.6333 122.7020 59.7067 39.5749 176.8386 26 G 3.4931 8.0420 113.4710 47.2468 0.0000 174.3954 27 C 4.3622 9.7109 118.0221 58.0635 39.3214 174.0253 28 Y 4.5382 8.7290 116.1325 58.0906 39.4209 174.9117 29 C 4.7846 8.1105 117.3536 57.9729 40.3317 172.4854 30 G 4.5518 8.8172 119.3027 47.1105 0.0000 174.7662 31 W 4.3912 7.6105 120.3973 58.2401 30.9543 178.0155 32 G 4.2777 7.6678 103.4870 43.5467 0.0000 177.7607 33 G 3.9299 9.8999 116.4888 45.6506 0.0000 175.0270 34 K 4.8409 8.4784 114.6691 53.8860 36.4680 175.0909 35 G 3.7792 8.3656 105.3231 44.4789 0.0000 173.3791 36 T 4.3609 8.1254 115.6767 61.1077 69.0826 173.5880 37 P 4.3494 0.0000 0.0000 62.9997 31.9588 176.5820 38 K 3.8445 8.8297 122.7760 59.1440 32.3558 176.0616 39 D 4.4780 7.3376 115.1907 51.5095 41.5942 174.6023 40 A 3.9669 8.9300 119.7383 56.4747 18.2917 180.1127 41 T 3.9876 7.5194 112.6495 66.7847 68.4214 176.2978 42 D 4.5802 8.5136 119.7811 56.7993 41.2671 178.1305 43 R 4.0832 8.0113 119.5158 59.0552 30.0361 177.7249 44 C 4.2319 8.0320 116.7200 60.3144 40.1748 175.1235 45 C 4.2324 7.9124 117.3375 60.2076 35.9560 176.1242 46 F 3.6905 8.0425 121.5859 61.1917 38.8515 177.4376 47 V 3.3663 7.8290 117.7908 66.0984 31.2660 177.2613 48 H 3.7645 8.5737 118.3143 59.2856 29.5292 176.7294 49 D 4.0994 8.0726 120.6247 57.6677 40.6127 177.9705 50 C 3.9207 7.5299 116.7132 60.2702 39.9319 175.5407 51 C 4.1116 8.3564 119.6931 60.0201 37.6869 175.1378 52 Y 4.2153 8.1845 118.3920 60.5784 37.1377 178.4829 53 G 3.6391 7.9533 106.5781 47.5349 0.0000 175.0904 54 N 4.7433 7.8752 116.5089 53.4904 38.5498 174.8060 55 L 4.6128 7.3452 120.3635 52.5926 43.5664 174.1466 56 P 4.6345 0.0000 0.0000 62.7152 31.6907 175.8879 *59 D 5.2387 7.8470 116.2594 53.8974 41.1282 175.3137 *61 C 4.3472 7.6234 117.0827 57.4747 39.9816 172.7285 *67 N 5.5304 8.3093 115.6405 52.8118 38.5773 173.7542 68 P 3.9553 0.0000 0.0000 65.4441 32.1215 179.7450 69 K 4.0769 8.0670 119.0958 57.7937 32.3170 178.6708 70 S 4.3997 8.6637 113.2295 59.1196 64.6328 174.2738 71 D 4.3379 7.8516 120.5402 54.0242 41.1384 175.4294 72 R 4.7087 8.7414 125.9502 55.1012 30.9842 175.4055 73 Y 4.9585 7.8678 119.4022 54.9778 41.3509 174.4930 74 K 4.7594 8.6682 120.1992 55.2107 33.9200 175.1932 75 Y 5.4912 8.3635 122.3232 55.3287 41.4183 174.0918 76 K 4.2754 9.1732 119.1708 56.8577 36.5981 177.2404 77 R 3.8883 8.9893 121.8352 56.2591 28.7249 177.1480 78 V 3.2523 8.8189 133.7965 64.7814 30.7028 168.8279 79 N 4.2313 8.6946 121.2347 52.6355 36.0480 175.1647 80 G 4.1397 7.3276 116.3983 46.2347 0.0000 174.6101 81 A 4.2661 7.2892 124.2793 51.2552 19.4750 176.1313 82 I 4.6355 8.0614 119.6573 59.6270 39.5331 175.7775 83 V 4.4364 8.9510 126.9925 61.3082 33.8154 174.1505 84 C 5.0630 8.9008 125.0756 56.6004 41.5179 172.3334 85 E 4.7310 8.5253 120.1309 53.7059 33.5033 174.6680 86 K 3.7074 8.8129 122.4508 56.7397 32.4166 175.5435 *88 G 4.4016 7.9687 118.1423 45.3097 0.0000 174.0052 89 T 4.2704 8.2056 107.0056 60.8375 67.8991 178.3377 90 S 3.1762 7.8145 119.5142 60.0502 67.1881 175.5377 91 C 4.1851 8.0295 120.2128 59.4667 35.2332 176.2269 92 E 3.9317 8.4822 119.9196 59.5335 29.0910 179.3014 93 N 4.1974 8.0019 115.6968 56.4492 38.7697 177.4016 94 R 3.8565 8.6944 120.5050 59.3417 30.0552 179.2058 95 I 3.5486 7.8673 119.7148 64.4211 37.0165 177.5862 96 C 3.3946 7.3968 118.9310 59.5631 44.5300 175.5737 97 E 3.5532 8.0288 119.9921 59.2793 28.9218 178.5160 98 C 4.1693 7.9902 116.6830 60.1613 39.6508 175.8083 99 D 4.2119 8.2616 120.2017 57.3611 40.5288 178.3712 100 K 3.6683 8.5105 120.3105 59.7873 32.0392 177.8617 101 A 3.8694 8.0737 120.2114 55.4655 18.3175 179.2029 102 A 3.5691 7.8889 118.4034 55.4097 18.2669 179.7770 103 A 3.8162 8.2374 119.2840 55.0678 18.4121 180.0425 104 I 3.5583 7.5801 118.3413 64.6968 37.0248 177.5244 105 C 4.0755 8.2396 118.1335 59.8283 41.7947 175.4277 106 F 4.6218 7.6443 118.9446 60.6690 38.4957 177.4122 107 R 3.8691 7.8347 117.8741 59.8004 29.6927 178.0166 108 Q 3.9842 8.1209 118.0185 58.4952 29.3283 177.2697 109 N 5.1359 8.0835 116.8778 52.6823 39.4424 176.3156 110 L 4.3034 8.1619 119.9947 57.2901 42.3419 178.8548 111 N 4.5889 8.3396 116.7354 56.3873 38.8215 177.0305 112 T 4.1085 7.4454 102.3751 62.4376 68.8531 173.4974 113 Y 4.2584 8.2181 125.7774 57.6545 39.2483 174.4579 114 S 4.9099 8.9993 122.2648 56.0693 65.0072 175.2365 115 K 3.8835 8.6365 125.1258 58.3218 32.0169 178.9121 116 K 3.8866 7.1331 114.6698 58.7650 32.8655 177.2455 117 Y 4.5669 7.5151 116.4763 57.7426 39.1163 175.3486 118 M 4.0804 7.0280 120.7224 56.5939 32.5975 175.5349 119 L 4.2888 8.6743 123.7991 55.0573 39.3616 173.8890 120 Y 4.0789 8.1250 120.3474 56.9911 40.3416 172.8144 121 P 3.2778 0.0000 0.0000 65.0150 29.4548 174.8126 122 D 3.3700 6.6072 124.7579 54.1328 46.8390 173.7454 *124 F 4.7592 7.9539 120.6873 55.8300 38.3182 174.7877 125 L 5.3746 7.5618 135.0000 56.5175 41.4760 173.8295 126 C 4.6790 8.6634 118.3486 55.7586 37.2432 173.1862 127 K 4.5013 8.5719 123.4405 56.0378 35.1410 176.1402 128 G 3.9025 8.8439 108.6779 44.2146 0.0000 172.4448 129 E 4.4123 8.3485 116.5694 56.2500 30.2261 176.8801 130 L 4.2759 7.8711 113.9103 54.3673 44.0881 174.3555 131 K 4.2191 8.1176 124.4093 55.9378 33.1766 178.2823 *133 C 4.8473 8.5634 118.4971 57.4628 41.5310 173.7409 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 S 8.09 4.92 0.00 4.16 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 2 L 8.36 4.07 0.00 1.83 1.87 1.18 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.57 3.98 0.00 1.71 1.64 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.89 4.04 0.00 1.76 1.63 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 1.71 2.25 0.00 5 F 8.83 4.67 0.00 3.22 3.27 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 6 G 8.59 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 3.95 0.00 1.90 2.13 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.75 1.51 7.81 8 M 8.34 3.91 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.49 0.00 9 I 8.20 3.50 1.71 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.05 0.49 0.00 0.00 10 L 7.90 4.39 0.00 1.75 1.81 0.99 0.70 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 11 E 8.52 3.97 0.00 2.13 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 2.41 2.62 0.00 12 E 8.19 4.12 0.00 1.91 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 2.43 0.00 13 T 7.82 4.26 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 1.19 0.00 0.00 14 G 8.40 3.97 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 0.00 0.00 0.00 *16 K 7.45 4.25 0.00 1.85 1.64 0.00 1.32 0.00 0.00 0.97 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.28 7.81 17 L 8.08 4.31 0.00 1.69 1.57 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.91 3.86 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 19 I 7.15 3.87 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 1.46 0.81 0.90 0.00 0.00 20 P 0.00 4.33 0.00 2.18 2.18 0.00 3.76 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 1.98 1.98 0.00 21 S 7.37 4.46 0.00 4.09 3.48 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 22 Y 7.98 4.72 0.00 2.87 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 23 S 8.41 4.54 0.00 3.96 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 24 S 7.78 4.37 0.00 4.16 3.74 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 25 Y 8.63 4.38 0.00 3.02 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 26 G 8.04 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.71 4.36 0.00 2.73 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 28 Y 8.73 4.54 0.00 3.59 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 29 C 8.11 4.78 0.00 3.58 3.58 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 30 G 8.82 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.61 4.39 0.00 3.21 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.67 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 0.00 0.00 0.00 0.00 33 G 9.90 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 34 K 8.48 4.84 0.00 1.88 1.79 0.00 0.89 0.00 0.00 1.93 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.39 7.81 35 G 8.37 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 0.00 0.00 0.00 36 T 8.13 4.36 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 37 P 0.00 4.35 0.00 1.95 2.08 0.00 3.50 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 1.57 2.16 0.00 38 K 8.83 3.84 0.00 1.05 0.74 0.00 1.41 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.94 0.21 7.81 39 D 7.34 4.48 0.00 2.89 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 40 A 8.93 3.97 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 41 T 7.52 3.99 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 1.19 0.00 0.00 42 D 8.51 4.58 0.00 2.80 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 43 R 8.01 4.08 0.00 2.25 1.94 0.00 3.07 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 44 C 8.03 4.23 0.00 3.03 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 45 C 7.91 4.23 0.00 3.54 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 3.69 0.00 2.86 3.17 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 47 V 7.83 3.37 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 0.86 0.00 0.00 1.06 0.00 0.00 48 H 8.57 3.76 0.00 2.96 3.27 0.00 5.65 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 49 D 8.07 4.10 0.00 2.69 2.55 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 0.00 0.00 0.00 0.00 50 C 7.53 3.92 0.00 2.84 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 51 C 8.36 4.11 0.00 2.87 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 52 Y 8.18 4.22 0.00 3.05 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 53 G 7.95 3.64 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 0.00 0.00 0.00 54 N 7.88 4.74 0.00 2.80 2.85 0.00 0.00 6.81 9.20 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 55 L 7.35 4.61 0.00 1.51 1.50 0.83 1.11 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 56 P 0.00 4.63 0.00 2.16 2.20 0.00 3.93 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 *59 D 7.85 5.24 0.00 2.81 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 *61 C 7.62 4.35 0.00 2.96 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 *67 N 8.31 5.53 0.00 2.74 2.78 0.00 0.00 7.34 8.03 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 68 P 0.00 3.96 0.00 0.91 0.74 0.00 3.68 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 69 K 8.07 4.08 0.00 1.85 1.94 0.00 1.68 0.00 0.00 1.94 0.00 0.00 3.16 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.66 1.53 7.81 70 S 8.66 4.40 0.00 3.84 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 71 D 7.85 4.34 0.00 2.63 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 72 R 8.74 4.71 0.00 1.83 1.79 0.00 3.23 0.00 0.00 3.91 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 73 Y 7.87 4.96 0.00 3.00 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 74 K 8.67 4.76 0.00 1.77 1.81 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.39 7.81 75 Y 8.36 5.49 0.00 3.15 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 76 K 9.17 4.28 0.00 1.75 1.86 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.43 7.81 77 R 8.99 3.89 0.00 1.88 1.80 0.00 3.42 0.00 0.00 3.48 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 78 V 8.82 3.25 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 1.00 0.00 0.00 0.95 0.00 0.00 79 N 8.69 4.23 0.00 2.82 3.01 0.00 0.00 7.10 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 80 G 7.33 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.29 4.27 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 82 I 8.06 4.64 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.82 0.00 0.00 83 V 8.95 4.44 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 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.90 5.06 0.00 2.87 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 85 E 8.53 4.73 0.00 2.04 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 2.25 2.25 0.00 86 K 8.81 3.71 0.00 1.79 1.78 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.48 7.81 *88 G 7.97 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 0.00 0.00 0.00 0.00 89 T 8.21 4.27 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 1.26 0.00 0.00 90 S 7.81 3.18 0.00 4.08 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 0.00 91 C 8.03 4.19 0.00 3.12 3.17 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 92 E 8.48 3.93 0.00 2.09 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 2.47 2.42 0.00 93 N 8.00 4.20 0.00 2.83 2.80 0.00 0.00 7.09 7.66 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 94 R 8.69 3.86 0.00 1.77 1.92 0.00 3.09 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.97 0.00 95 I 7.87 3.55 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.92 0.00 0.00 96 C 7.40 3.39 0.00 1.86 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 97 E 8.03 3.55 0.00 1.94 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 2.38 2.43 0.00 98 C 7.99 4.17 0.00 3.18 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 99 D 8.26 4.21 0.00 2.83 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 0.00 100 K 8.51 3.67 0.00 1.81 1.92 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.42 7.81 101 A 8.07 3.87 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 0.00 102 A 7.89 3.57 1.24 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 0.00 0.00 103 A 8.24 3.82 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 0.00 104 I 7.58 3.56 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 0.87 0.00 0.00 105 C 8.24 4.08 0.00 2.82 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 0.00 106 F 7.64 4.62 0.00 3.06 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 0.00 107 R 7.83 3.87 0.00 1.85 2.07 0.00 3.22 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 108 Q 8.12 3.98 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.18 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 N 8.08 5.14 0.00 2.86 2.83 0.00 0.00 6.98 6.88 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 0.00 110 L 8.16 4.30 0.00 1.81 1.77 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.34 4.59 0.00 2.81 2.90 0.00 0.00 6.90 7.05 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 0.00 112 T 7.45 4.11 4.32 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 1.27 0.00 0.00 113 Y 8.22 4.26 0.00 3.08 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 0.00 114 S 9.00 4.91 0.00 3.87 3.99 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 0.00 115 K 8.64 3.88 0.00 1.79 1.88 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.48 7.81 116 K 7.13 3.89 0.00 1.55 1.72 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.95 0.49 7.81 117 Y 7.52 4.57 0.00 2.17 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 0.00 0.00 0.00 118 M 7.03 4.08 0.00 1.90 1.88 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 2.71 2.55 0.00 119 L 8.67 4.29 0.00 1.87 1.82 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.13 4.08 0.00 3.08 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 0.00 121 P 0.00 3.28 0.00 0.49 1.08 0.00 2.71 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.27 0.00 122 D 6.61 3.37 0.00 1.80 1.85 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 *124 F 7.95 4.76 0.00 3.15 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 0.00 125 L 7.56 5.37 0.00 1.50 1.75 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.66 4.68 0.00 2.87 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 0.00 127 K 8.57 4.50 0.00 1.87 1.85 0.00 1.48 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.42 7.81 128 G 8.84 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 0.00 129 E 8.35 4.41 0.00 2.14 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 2.30 2.37 0.00 130 L 7.87 4.28 0.00 1.77 1.61 0.64 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.12 4.22 0.00 1.86 1.76 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.64 7.81 *133 C 8.56 4.85 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.