NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.6228 8.1776 115.4169 57.6574 65.8922 174.6122 9 T 4.5720 8.0197 111.4734 61.1247 73.5321 173.1591 10 G 3.7618 10.5855 112.1807 47.5832 0.0000 174.6014 11 F 4.0306 9.4885 132.7494 57.3764 36.7265 176.1006 12 L 4.3788 8.3757 117.3773 51.9620 44.8337 176.0006 13 V 3.8920 7.8484 119.4246 61.8588 31.9656 176.8685 14 K 4.2768 8.1878 121.5340 55.8314 34.0445 178.2475 15 Q 3.8754 8.5715 123.0075 59.5213 29.0492 178.8217 16 R 3.9561 8.1365 118.9033 59.3532 30.0718 178.2421 17 A 4.4269 7.9623 121.3074 54.7772 18.7364 178.7514 18 F 3.9133 8.3885 119.2752 61.9000 39.3188 177.5709 19 L 4.2567 8.7020 118.4454 57.9489 41.5349 179.6387 20 K 3.9061 8.3835 118.4154 59.3920 31.8827 178.9865 21 L 4.0865 8.2089 120.5607 58.5821 42.1369 178.5011 22 Y 3.8523 8.0293 116.0900 61.4206 37.8501 178.6811 23 M 4.0664 8.4499 119.6088 58.5062 31.9499 178.9773 24 I 3.8253 7.7156 119.6109 64.7756 37.3086 178.4884 25 T 4.1880 7.9337 117.8786 66.5236 68.3048 176.5064 26 M 4.0771 8.5830 120.7444 58.7772 31.9240 179.0494 27 T 3.9094 7.7378 115.4850 66.3496 68.6614 176.6844 28 E 4.3945 8.7551 120.9092 59.6007 29.3726 178.6033 29 Q 4.4275 8.2681 114.7995 55.1444 28.9267 175.6673 30 E 3.9354 8.1235 118.5366 57.6092 27.5014 174.8352 31 R 4.8432 8.7228 112.7551 55.7570 30.1334 174.9269 32 L 4.2955 7.7414 121.7222 54.8194 42.1149 174.4438 33 Y 5.0379 8.0196 122.2252 57.3930 40.1110 175.0123 34 G 4.0427 9.8711 111.4262 45.2145 0.0000 173.1402 35 L 4.5598 8.2476 115.8877 55.3137 42.7053 177.9785 36 K 4.4945 8.1123 118.0536 56.7315 32.0809 178.4304 37 L 3.6162 7.4858 123.3664 57.8535 42.2054 178.9683 38 L 3.8418 7.8523 119.9843 57.9085 42.2258 178.1779 39 K 3.7307 7.8556 119.7147 59.7735 31.8749 178.1859 40 V 3.4779 7.8081 117.5070 66.4376 31.0614 177.8735 41 L 3.9501 7.6353 116.9117 57.8140 41.7702 179.3213 42 Q 4.1019 8.5932 118.4939 58.8713 28.1680 178.4956 43 S 4.0690 8.6508 114.5620 61.4167 62.2029 175.8773 44 E 3.9437 7.5355 119.5251 57.9163 29.3266 177.3773 45 F 4.9445 7.5424 115.6407 57.0192 40.8734 177.1272 46 K 4.2306 7.7072 121.2766 59.7084 32.3668 177.3422 47 E 4.1417 8.1152 117.4204 58.7768 29.9951 177.9059 48 I 4.1151 7.9928 117.7264 60.5582 37.8546 176.5813 49 G 3.8507 8.0196 108.1015 46.0773 0.0000 173.5414 50 F 4.2864 7.8426 120.9186 57.4629 38.8521 175.1644 51 K 4.0204 8.2013 130.7558 53.7077 31.7393 174.0559 52 P 3.6021 0.0000 0.0000 62.6998 31.9061 176.2387 53 N 4.5988 9.2689 120.8624 52.9419 39.9378 175.7496 54 H 4.2148 8.9284 124.3320 59.5601 28.3949 177.5155 55 T 4.0908 7.7770 117.3942 66.0128 68.3980 176.5916 56 E 4.1353 8.4871 120.7131 58.8664 29.5352 179.1325 57 V 3.5518 8.1498 118.8716 66.4547 31.6847 177.8136 58 Y 3.9536 7.9696 116.3172 60.7920 37.7847 178.5738 59 R 3.9892 8.2567 119.9114 59.5211 30.1191 178.4916 60 S 4.0866 8.3355 115.1325 61.5795 62.8891 176.1645 61 L 3.7783 7.9070 122.5967 58.9140 41.7180 179.0387 62 H 4.3486 8.4131 115.4338 58.3483 28.5731 177.7927 63 E 3.9788 8.1719 120.6975 59.4776 29.2867 179.2848 64 L 4.0209 8.1606 119.0565 57.3595 41.3959 179.7582 65 L 4.1971 7.8363 119.1566 57.8761 41.5761 179.0368 66 D 4.3738 8.1789 117.5865 57.6213 40.8956 178.3232 67 D 4.5394 8.4931 118.5185 55.9626 40.6018 177.7110 68 G 4.1482 7.8711 106.2584 44.9828 0.0000 175.2185 69 I 3.7292 7.8765 121.3711 63.3519 38.1688 175.8461 70 L 5.5211 8.2814 120.1431 52.6892 45.0565 176.1871 71 K 4.9037 9.1190 119.6852 55.3350 36.5060 174.8727 72 Q 4.9806 8.5677 118.3237 54.4253 31.3961 174.4065 73 I 4.6822 8.5371 113.2387 59.4143 41.9055 173.7179 74 K 4.9916 8.5441 122.3438 54.7626 33.6962 176.2401 75 V 4.5480 8.6566 124.6496 59.5254 34.9387 175.4622 76 K 5.1741 8.7421 121.3602 55.8027 32.8875 177.2815 *83 Q 4.2250 8.4726 119.4372 55.8278 30.4424 174.6739 84 E 4.4722 8.0986 118.4344 55.5269 29.7113 175.9857 85 V 4.5572 8.2211 123.2913 59.7129 35.0924 174.8118 86 V 4.2420 8.3886 123.3120 62.4694 32.9531 174.2002 87 L 4.9900 9.0899 129.6828 53.4385 45.1189 174.7832 88 Y 4.7666 8.7902 123.9776 57.7781 38.9381 174.9094 89 Q 4.5179 8.9988 121.0675 54.1116 34.0652 174.0420 90 F 4.6135 8.5630 120.0833 57.8741 39.2753 175.1885 91 K 4.1923 9.1883 126.4625 57.9967 32.3801 176.2337 92 D 4.7828 8.0195 126.5400 52.9562 42.2004 175.8413 93 Y 3.9073 8.7181 127.8886 60.6258 39.0131 176.6144 94 E 3.6599 8.3742 118.8608 59.5837 29.5018 179.2494 95 A 3.9543 8.0014 120.1804 55.1131 18.4683 179.5027 96 A 3.9922 7.4992 118.7543 55.1202 18.4479 179.9331 97 K 3.5876 7.8019 117.1503 59.6847 32.1547 179.2311 98 L 3.9215 7.8081 119.0560 58.3821 41.5973 179.1971 99 Y 4.4529 7.7458 119.9931 59.6646 38.6341 177.7991 100 K 3.8673 8.1272 119.6149 59.3793 32.0757 178.9008 101 K 3.8225 7.8637 118.6041 59.8828 31.8898 178.8025 102 Q 3.9175 7.9667 117.5612 59.3773 28.6726 179.6645 103 L 3.8586 7.8015 119.5088 57.1472 41.4824 179.2378 104 K 3.7791 8.4947 120.6134 59.5821 32.1001 178.6793 105 V 3.5221 7.5028 118.2440 65.9693 31.5215 177.4076 106 E 3.8627 8.0320 118.8965 59.5991 29.3459 179.0263 107 L 4.0219 8.1581 118.9498 57.6571 41.5948 178.8846 108 D 4.3709 8.0510 119.0056 57.8588 40.7126 178.7076 109 R 3.8464 8.2325 118.8876 59.2465 30.0622 178.0995 110 C 3.6218 7.9439 115.7708 63.0759 28.2301 176.0335 111 K 3.7392 8.3693 121.0342 59.9058 31.6298 178.3878 112 K 4.2028 8.4061 119.7490 58.7747 32.0076 179.1626 113 L 3.9113 8.0601 120.4127 58.1649 42.1042 178.8137 114 I 3.6852 8.0630 120.1172 64.5455 36.9552 177.8777 115 E 3.9370 8.2679 119.3551 59.5114 29.3591 179.2864 116 K 3.8404 8.2073 119.0267 59.8126 32.0159 178.5492 117 A 4.0650 7.9426 119.3450 55.1004 18.5431 179.3544 118 L 4.4836 8.6510 117.9481 58.1262 41.5129 179.7983 119 S 4.2264 8.3563 114.4258 61.8309 62.9526 176.2415 120 D 4.5624 8.1708 119.1271 55.9440 40.7309 176.6771 121 N 4.6956 7.6103 113.4903 52.4495 40.7719 174.4344 122 F 4.4416 7.9187 121.0868 57.7283 40.1743 174.1286 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 8 S 8.18 4.62 0.00 4.04 4.17 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 9 T 8.02 4.57 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 1.24 0.00 0.00 10 G 10.59 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 0.00 0.00 0.00 11 F 9.49 4.03 0.00 2.97 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 12 L 8.38 4.38 0.00 1.35 1.24 0.62 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 3.89 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 0.74 0.00 0.00 1.01 0.00 0.00 14 K 8.19 4.28 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.47 7.81 15 Q 8.57 3.88 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 16 R 8.14 3.96 0.00 2.12 1.99 0.00 3.28 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 17 A 7.96 4.43 1.46 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 18 F 8.39 3.91 0.00 3.26 3.33 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 19 L 8.70 4.26 0.00 2.03 1.82 1.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.38 3.91 0.00 2.07 1.69 0.00 1.51 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.80 7.81 21 L 8.21 4.09 0.00 1.86 1.90 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.03 3.85 0.00 3.33 3.09 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 0.00 0.00 0.00 0.00 23 M 8.45 4.07 0.00 1.96 2.35 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 24 I 7.72 3.83 2.16 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.79 1.18 0.00 0.00 25 T 7.93 4.19 4.10 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 1.14 0.00 0.00 26 M 8.58 4.08 0.00 1.98 2.22 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 2.94 2.64 0.00 27 T 7.74 3.91 3.79 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 0.46 0.00 0.00 28 E 8.76 4.39 0.00 2.39 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 2.57 2.85 0.00 29 Q 8.27 4.43 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 30 E 8.12 3.94 0.00 2.18 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 2.28 2.44 0.00 31 R 8.72 4.84 0.00 1.86 2.07 0.00 3.06 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 32 L 7.74 4.30 0.00 1.60 1.61 0.36 0.60 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 33 Y 8.02 5.04 0.00 3.24 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 34 G 9.87 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 35 L 8.25 4.56 0.00 1.78 1.78 0.97 0.85 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 36 K 8.11 4.49 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.58 7.81 37 L 7.49 3.62 0.00 1.67 1.35 0.65 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.85 3.84 0.00 1.85 1.73 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.86 3.73 0.00 1.89 1.90 0.00 1.72 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 1.47 7.81 40 V 7.81 3.48 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 0.85 0.00 0.00 0.75 0.00 0.00 41 L 7.64 3.95 0.00 1.76 1.77 0.90 0.94 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 42 Q 8.59 4.10 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 43 S 8.65 4.07 0.00 4.01 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 44 E 7.54 3.94 0.00 1.60 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 2.15 2.28 0.00 45 F 7.54 4.94 0.00 3.21 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 46 K 7.71 4.23 0.00 1.96 1.81 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 47 E 8.12 4.14 0.00 2.01 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 2.32 2.40 0.00 48 I 7.99 4.12 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.97 0.00 0.00 49 G 8.02 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 0.00 0.00 0.00 50 F 7.84 4.29 0.00 2.77 2.89 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 51 K 8.20 4.02 0.00 1.66 1.62 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.34 7.81 52 P 0.00 3.60 0.00 1.92 1.81 0.00 3.46 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.48 0.00 53 N 9.27 4.60 0.00 2.74 2.87 0.00 0.00 6.89 7.94 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 54 H 8.93 4.21 0.00 3.45 3.61 0.00 5.50 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.78 4.09 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 1.24 0.00 0.00 56 E 8.49 4.14 0.00 2.26 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 0.00 2.55 2.49 0.00 57 V 8.15 3.55 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 0.70 0.00 0.00 0.91 0.00 0.00 58 Y 7.97 3.95 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 59 R 8.26 3.99 0.00 2.25 1.96 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 60 S 8.34 4.09 0.00 4.06 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 61 L 7.91 3.78 0.00 1.49 1.49 0.44 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.41 4.35 0.00 3.49 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.17 3.98 0.00 2.31 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 2.35 2.49 0.00 64 L 8.16 4.02 0.00 1.81 1.67 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.84 4.20 0.00 1.95 1.75 1.00 1.17 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 66 D 8.18 4.37 0.00 2.73 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 67 D 8.49 4.54 0.00 2.67 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 68 G 7.87 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 0.00 0.00 0.00 69 I 7.88 3.73 1.98 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 1.37 0.90 1.09 0.00 0.00 70 L 8.28 5.52 0.00 1.50 1.59 0.83 0.74 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 71 K 9.12 4.90 0.00 1.75 1.87 0.00 1.28 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.34 7.81 72 Q 8.57 4.98 0.00 1.53 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 73 I 8.54 4.68 1.82 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 1.16 0.96 0.87 0.00 0.00 74 K 8.54 4.99 0.00 1.60 1.94 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.35 7.81 75 V 8.66 4.55 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 0.66 0.00 0.00 0.89 0.00 0.00 76 K 8.74 5.17 0.00 1.72 1.75 0.00 1.69 0.00 0.00 2.39 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.42 7.81 *83 Q 8.47 4.23 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 84 E 8.10 4.47 0.00 1.97 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 0.00 2.29 2.22 0.00 85 V 8.22 4.56 2.04 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 0.73 0.00 0.00 0.97 0.00 0.00 86 V 8.39 4.24 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 0.76 0.00 0.00 0.95 0.00 0.00 87 L 9.09 4.99 0.00 1.68 1.38 1.12 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.79 4.77 0.00 3.01 2.82 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 89 Q 9.00 4.52 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 90 F 8.56 4.61 0.00 3.01 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 91 K 9.19 4.19 0.00 1.85 2.09 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 92 D 8.02 4.78 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 93 Y 8.72 3.91 0.00 2.75 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 94 E 8.37 3.66 0.00 2.10 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 0.00 2.42 2.35 0.00 95 A 8.00 3.95 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 96 A 7.50 3.99 1.43 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 97 K 7.80 3.59 0.00 1.56 1.62 0.00 0.83 0.00 0.00 1.05 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 0.36 7.81 98 L 7.81 3.92 0.00 1.99 1.76 0.87 0.60 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 99 Y 7.75 4.45 0.00 3.16 3.14 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 0.00 100 K 8.13 3.87 0.00 1.94 1.79 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.74 7.81 101 K 7.86 3.82 0.00 1.95 1.83 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.68 7.81 102 Q 7.97 3.92 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 103 L 7.80 3.86 0.00 1.57 1.56 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.49 3.78 0.00 1.86 1.99 0.00 1.49 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 105 V 7.50 3.52 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 0.90 0.00 0.00 0.94 0.00 0.00 106 E 8.03 3.86 0.00 2.19 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 2.25 2.37 0.00 107 L 8.16 4.02 0.00 1.69 1.70 0.86 1.48 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 0.00 108 D 8.05 4.37 0.00 2.87 2.71 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 0.00 109 R 8.23 3.85 0.00 1.98 1.93 0.00 3.12 0.00 0.00 3.14 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 110 C 7.94 3.62 0.00 3.14 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 0.00 111 K 8.37 3.74 0.00 1.78 2.06 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.50 7.81 112 K 8.41 4.20 0.00 1.99 1.87 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.32 7.81 113 L 8.06 3.91 0.00 1.80 1.76 0.96 1.17 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 0.00 114 I 8.06 3.69 1.96 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 1.69 0.78 0.92 0.00 0.00 115 E 8.27 3.94 0.00 2.21 2.04 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 2.35 2.44 0.00 116 K 8.21 3.84 0.00 1.83 2.05 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 117 A 7.94 4.07 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 0.00 118 L 8.65 4.48 0.00 1.89 1.79 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.36 4.23 0.00 3.83 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 0.00 120 D 8.17 4.56 0.00 2.70 2.69 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 0.00 121 N 7.61 4.70 0.00 1.79 1.99 0.00 0.00 6.72 7.33 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 0.00 122 F 7.92 4.44 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 * Residues marked with a * may have inaccurate shift predictions.