NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 V 4.1241 7.9127 120.6607 62.7716 33.3646 174.1301 18 L 5.2759 8.4484 130.0774 54.6998 43.9982 173.4640 19 Q 4.7694 9.4043 127.2808 53.9716 33.4168 170.2228 20 I 3.8293 8.6053 126.0197 61.7008 37.1906 176.3024 21 Q 4.3364 8.6799 128.3660 57.4582 29.3866 172.9319 22 R 4.5999 7.4315 118.6916 54.8881 33.8067 173.6208 23 I 4.6621 7.9790 126.6431 59.6804 39.4385 174.2951 24 Y 4.6870 7.8980 123.0967 56.2119 41.6741 173.2027 25 V 4.4770 8.5190 120.6801 62.4011 31.9990 175.7462 26 K 4.5152 8.8208 126.9376 58.2383 33.3823 176.4537 27 D 4.7648 7.9078 116.5570 53.4879 44.4851 174.7957 28 V 5.3728 8.8063 123.3708 61.2374 34.6724 173.3705 29 S 4.7222 8.4931 116.9701 57.3774 66.9615 172.9743 30 F 5.3569 8.6488 121.2983 57.7873 40.6309 171.5661 31 E 4.5604 8.7187 123.0353 54.0167 32.3745 175.2958 32 A 5.0803 8.1292 124.1036 48.9306 19.1611 174.5405 33 P 4.5731 0.0000 0.0000 62.7476 30.2904 177.4566 34 N 4.9800 8.0911 115.1737 53.4202 39.6104 174.0166 35 L 4.3815 7.7362 116.7972 52.7129 44.2199 174.9371 36 P 4.2681 0.0000 0.0000 62.7947 31.9917 175.8542 37 H 4.7900 6.8747 113.9524 53.5489 27.2075 173.1200 38 I 4.2638 7.2190 125.8952 62.9681 44.4947 176.9623 39 F 4.1026 7.2242 117.6120 60.0910 38.9659 176.3471 40 Q 4.1648 7.9385 120.1935 58.0957 29.5376 175.8602 41 Q 4.4415 8.3294 117.6447 55.1617 30.5708 173.9813 42 E 4.7780 8.4089 117.6342 54.8340 33.5026 175.0476 43 W 5.4551 8.8907 122.5785 57.7186 30.0771 178.1948 44 K 4.8622 8.4664 128.9526 53.4059 31.3160 170.8862 45 P 3.9682 0.0000 0.0000 63.6866 32.7386 179.1891 46 K 4.4311 8.3520 125.1218 52.9682 33.6864 174.1985 47 L 4.1259 8.2712 125.7843 54.1822 42.5500 177.4650 48 G 4.1456 7.7060 105.7893 44.0507 0.0000 172.0319 49 F 4.8275 8.3981 125.3143 58.6414 41.1246 173.4479 50 D 4.6589 9.3432 118.6731 54.0559 44.3255 174.2523 51 L 5.1120 8.3560 123.2645 54.6048 45.3155 173.6381 52 S 5.0193 9.2001 121.3813 57.4491 67.7391 172.6518 53 T 5.2930 8.2481 115.4673 62.7750 72.3375 173.7265 54 E 4.8606 9.2912 123.9151 55.1168 34.2204 174.5427 55 T 5.5835 8.4592 118.4186 61.3623 72.4780 173.5777 56 T 4.7567 8.2654 119.6397 62.1926 73.3115 172.6253 57 Q 4.3713 8.9051 127.8719 55.8064 29.5757 175.7688 58 V 4.2811 8.6554 118.8112 60.2125 32.7770 175.4520 59 G 3.6962 7.0046 107.0378 45.4747 0.0000 172.1513 60 D 4.2143 8.6089 119.0581 55.2830 40.3199 175.7086 61 D 4.4223 8.4993 129.0567 55.4398 38.4557 173.7394 62 L 5.1650 7.1781 117.6551 53.2091 45.4321 175.6808 63 Y 5.1225 9.1705 121.7416 56.0886 42.0072 174.6400 64 E 5.0696 9.6389 125.4895 54.9248 31.0975 174.6307 65 V 4.5693 9.0843 129.1065 61.9380 33.2978 174.6637 66 V 4.6355 9.3660 128.9733 61.0800 34.1678 173.9144 67 L 5.0170 9.2075 131.3679 53.8237 43.3887 174.6424 68 N 5.3603 8.8673 125.4115 52.4347 40.3409 174.6409 69 I 5.3012 8.8374 124.0334 59.6862 41.4075 174.5203 70 S 5.2234 8.9681 121.9984 57.0614 66.1082 173.9940 71 V 4.4325 8.6651 116.8336 59.9785 33.4948 172.8510 72 E 4.9135 8.2627 126.5856 53.9135 29.0706 172.7574 73 T 3.9858 7.6678 119.1913 63.5529 69.9683 172.7272 74 T 4.5898 8.3687 123.9884 61.5339 71.3026 173.9570 75 L 4.2468 8.5602 131.5172 54.4339 41.9122 175.9514 76 E 4.2048 8.2206 123.4041 58.2894 29.9167 173.5081 77 D 5.2107 9.1586 126.0169 53.6973 37.3251 176.9658 78 S 4.1693 7.8488 114.2671 60.3586 63.1045 174.5037 79 G 4.0771 8.2456 106.5951 45.6271 0.0000 173.7547 80 D 4.5100 7.7661 118.2324 54.0531 41.5261 175.3020 81 V 4.0743 8.0701 120.4643 62.5000 32.3315 175.6606 82 A 4.7427 8.3885 128.7757 53.0143 19.9124 177.1753 83 F 4.7476 6.9281 109.4822 56.9184 40.5937 173.4765 84 I 4.7801 8.0099 120.2813 60.0472 41.0264 173.7070 85 C 5.2516 8.6192 126.8821 57.6401 34.2218 172.5509 86 E 5.0634 9.1412 124.8272 54.9863 32.7438 174.2611 87 V 4.6303 8.6067 125.1926 61.1194 34.3749 174.8827 88 K 5.0824 9.1380 126.8527 54.6216 33.9476 173.7271 89 Q 4.7149 8.7958 125.8553 54.6682 30.9874 174.0948 90 A 5.0837 8.6026 126.7825 50.8184 23.6077 174.4282 91 G 3.8952 8.8475 104.1890 45.1570 0.0000 172.5090 92 V 4.9162 8.2754 122.0116 61.0712 33.4307 174.5436 93 F 5.3468 9.6253 126.9845 56.0027 42.6484 174.5502 94 T 5.4378 8.8535 119.7527 62.2408 69.8155 174.0899 95 I 5.8564 8.8314 126.7706 58.9188 40.7209 174.7451 96 S 4.4820 8.7078 120.5257 57.5080 65.9308 173.1052 97 G 3.7220 8.8581 109.0619 45.8831 0.0000 172.8839 98 L 4.8535 7.4863 119.9480 53.4268 46.2734 177.4591 99 E 4.0334 10.7800 119.7337 56.8859 29.8324 175.9631 100 D 3.9832 7.3547 118.4238 55.4722 42.7956 179.1683 101 V 3.6972 7.9435 118.5005 66.2969 31.8544 178.4080 102 Q 4.0868 7.7072 115.7292 58.6963 28.4368 178.1392 103 M 4.0134 7.9226 120.2743 58.5291 32.3377 177.4215 104 A 4.0173 8.0275 120.5875 55.9360 18.4541 178.8085 105 H 2.9997 7.9925 115.8067 59.1428 29.6618 177.0353 106 C 3.8035 8.1280 120.7466 62.4805 31.3349 175.5746 107 L 4.0966 7.6575 117.8520 56.7733 41.3554 177.6729 108 T 4.5543 7.9294 113.3504 63.1321 71.1634 173.9078 109 S 4.4981 7.6106 112.7866 59.6259 64.4181 175.2821 110 Q 3.7111 7.9388 119.7156 59.4606 29.0184 178.0224 111 C 3.8162 8.1895 117.6286 62.0412 27.9890 174.2027 112 P 3.9999 0.0000 0.0000 65.6737 30.6854 178.0401 113 N 3.6268 6.6354 113.8180 56.7977 38.7103 176.4004 114 M 4.2861 7.4817 119.4383 58.2196 32.2483 178.2398 115 L 4.3848 7.8004 118.6739 57.1184 42.0493 178.5561 116 F 4.1557 8.6015 121.5611 61.1293 38.9450 175.6110 117 P 4.3782 0.0000 0.0000 65.4050 30.9568 177.6885 118 Y 3.9835 8.3987 117.2992 60.5686 38.0223 177.4110 119 A 4.0904 8.0083 120.7448 54.3287 18.3194 179.4737 120 R 3.6986 7.7716 118.1266 59.3442 30.2827 178.3505 121 E 3.9445 7.7789 116.4822 58.6273 29.5095 178.5867 122 L 3.8545 7.6602 121.8944 58.1389 42.3768 178.5965 123 V 3.4685 7.4558 118.1463 66.3145 31.2706 178.0584 124 S 4.0265 8.2766 114.8296 61.5306 62.4987 175.7951 125 N 4.1086 8.0794 119.0135 57.3789 38.6817 176.3396 126 L 3.5745 7.8196 119.9360 57.1980 41.3542 179.3625 127 V 3.3748 7.2927 117.4544 66.4436 31.2690 177.6652 128 N 4.4982 8.4008 115.7008 55.6558 38.6037 176.6647 129 R 4.3318 9.3453 118.4319 58.3087 30.6684 177.8089 130 G 4.4061 7.7543 103.9813 44.8126 0.0000 175.7330 131 T 3.4763 7.7080 114.2096 63.9169 67.7644 171.9897 132 F 4.3969 8.2855 119.7528 56.8133 39.5316 172.6986 133 P 4.4957 0.0000 0.0000 61.8845 31.7970 176.2175 134 A 3.8351 8.3615 124.2467 52.5583 18.2799 177.1282 135 L 4.5290 8.4738 125.7697 53.5266 41.7477 174.6300 136 N 4.7055 8.3184 121.5688 50.7302 37.7797 174.7151 137 L 4.0558 8.1428 122.4566 54.7150 42.6348 177.6037 138 S 4.7723 8.6220 115.8468 56.2820 64.6421 172.2932 139 P 4.1952 0.0000 0.0000 63.1934 31.6267 175.8224 140 V 3.8499 7.3048 120.5812 60.7415 33.1784 175.9326 141 N 4.4645 8.0406 124.9989 52.8308 38.2283 175.3760 142 F 4.0277 8.3368 127.1121 59.8763 39.1236 177.1015 143 D 4.4410 8.1947 118.3949 57.2392 40.8297 178.1421 144 A 4.0489 9.3598 122.4311 55.3036 18.0685 179.7599 145 L 3.9971 7.4524 116.3042 57.8328 41.9311 178.8037 146 F 4.2759 8.0256 120.7743 61.5849 39.1676 177.2714 147 V 3.4564 7.7238 117.2072 65.9494 31.2418 177.5334 148 E 4.2433 7.6313 116.1677 58.6674 29.3924 178.8985 *149 Y 4.1699 7.5156 122.2155 61.4305 37.2124 182.2778 150 M 4.0985 6.9420 117.3133 56.7123 32.5952 176.7048 151 N 4.4948 8.1299 122.1479 53.2684 38.8633 174.6466 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 17 V 7.91 4.12 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 1.02 0.00 0.00 0.95 0.00 0.00 18 L 8.45 5.28 0.00 1.74 1.53 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 9.40 4.77 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.89 0.00 0.00 0.00 0.00 0.00 2.26 1.95 0.00 20 I 8.61 3.83 1.80 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.08 0.52 0.00 0.00 21 Q 8.68 4.34 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 22 R 7.43 4.60 0.00 1.83 1.84 0.00 2.91 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 23 I 7.98 4.66 1.56 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 0.93 0.43 0.33 0.00 0.00 24 Y 7.90 4.69 0.00 3.04 2.99 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 25 V 8.52 4.48 2.13 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 0.87 0.00 0.00 0.97 0.00 0.00 26 K 8.82 4.52 0.00 1.74 1.92 0.00 1.97 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.52 7.81 27 D 7.91 4.76 0.00 2.71 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 28 V 8.81 5.37 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 0.94 0.00 0.00 0.93 0.00 0.00 29 S 8.49 4.72 0.00 3.89 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 30 F 8.65 5.36 0.00 2.87 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 31 E 8.72 4.56 0.00 2.05 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 2.15 2.16 0.00 32 A 8.13 5.08 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 33 P 0.00 4.57 0.00 2.19 2.14 0.00 3.72 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 1.97 0.00 34 N 8.09 4.98 0.00 2.70 2.65 0.00 0.00 6.94 6.02 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 35 L 7.74 4.38 0.00 1.49 1.33 -0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.27 0.00 2.19 2.19 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 37 H 6.87 4.79 0.00 3.24 3.35 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.22 4.26 1.65 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 1.37 0.69 0.96 0.00 0.00 39 F 7.22 4.10 0.00 2.99 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 40 Q 7.94 4.16 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 41 Q 8.33 4.44 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 42 E 8.41 4.78 0.00 1.99 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 2.22 2.32 0.00 43 W 8.89 5.46 0.00 3.27 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 44 K 8.47 4.86 0.00 1.37 1.65 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 0.99 7.81 45 P 0.00 3.97 0.00 1.51 0.63 0.00 3.43 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 46 K 8.35 4.43 0.00 1.43 1.68 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.27 7.81 47 L 8.27 4.13 0.00 1.49 1.57 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.71 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 49 F 8.40 4.83 0.00 3.12 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.34 4.66 0.00 2.81 2.54 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 51 L 8.36 5.11 0.00 1.87 1.48 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.20 5.02 0.00 4.04 3.77 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 53 T 8.25 5.29 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 1.26 0.00 0.00 54 E 9.29 4.86 0.00 1.92 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 0.00 2.26 2.32 0.00 55 T 8.46 5.58 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 1.31 0.00 0.00 56 T 8.27 4.76 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 1.25 0.00 0.00 57 Q 8.91 4.37 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.97 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 58 V 8.66 4.28 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 0.95 0.00 0.00 59 G 7.00 3.70 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 0.00 0.00 0.00 60 D 8.61 4.21 0.00 2.62 2.62 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 61 D 8.50 4.42 0.00 2.96 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 62 L 7.18 5.17 0.00 1.39 1.45 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 9.17 5.12 0.00 3.03 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 64 E 9.64 5.07 0.00 2.12 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 2.31 2.34 0.00 65 V 9.08 4.57 2.25 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 0.85 0.00 0.00 0.77 0.00 0.00 66 V 9.37 4.64 2.13 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 0.92 0.00 0.00 0.97 0.00 0.00 67 L 9.21 5.02 0.00 1.85 1.80 1.29 0.85 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 68 N 8.87 5.36 0.00 2.91 2.79 0.00 0.00 6.42 7.37 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 69 I 8.84 5.30 1.94 0.00 0.00 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 1.60 1.11 0.91 0.00 0.00 70 S 8.97 5.22 0.00 3.83 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 71 V 8.67 4.43 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 0.26 0.00 0.00 0.98 0.00 0.00 72 E 8.26 4.91 0.00 2.03 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 0.00 2.26 2.12 0.00 73 T 7.67 3.99 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 0.57 0.00 0.00 74 T 8.37 4.59 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 1.22 0.00 0.00 75 L 8.56 4.25 0.00 1.82 1.62 1.43 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.22 4.20 0.00 1.83 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 2.26 2.15 0.00 77 D 9.16 5.21 0.00 2.83 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 78 S 7.85 4.17 0.00 4.07 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 79 G 8.25 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.77 4.51 0.00 2.74 2.62 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 81 V 8.07 4.07 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 0.74 0.00 0.00 0.96 0.00 0.00 82 A 8.39 4.74 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.93 4.75 0.00 2.27 2.54 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 84 I 8.01 4.78 1.84 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 1.10 0.99 0.92 0.00 0.00 85 C 8.62 5.25 0.00 3.00 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 86 E 9.14 5.06 0.00 1.94 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 0.00 2.24 2.25 0.00 87 V 8.61 4.63 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 0.99 0.00 0.00 0.91 0.00 0.00 88 K 9.14 5.08 0.00 1.95 1.72 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 89 Q 8.80 4.71 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 90 A 8.60 5.08 0.94 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 91 G 8.85 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 92 V 8.28 4.92 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 1.06 0.00 0.00 1.09 0.00 0.00 93 F 9.63 5.35 0.00 3.00 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 94 T 8.85 5.44 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 1.28 0.00 0.00 95 I 8.83 5.86 2.01 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.17 0.80 0.00 0.00 96 S 8.71 4.48 0.00 3.86 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 97 G 8.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.85 0.00 1.54 1.49 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 99 E 10.78 4.03 0.00 1.90 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 0.00 2.25 2.16 0.00 100 D 7.35 3.98 0.00 2.81 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 0.00 101 V 7.94 3.70 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 1.24 0.00 0.00 0.97 0.00 0.00 102 Q 7.71 4.09 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 103 M 7.92 4.01 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 104 A 8.03 4.02 1.64 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 0.00 105 H 7.99 3.00 0.00 2.53 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.13 3.80 0.00 2.86 2.83 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 0.00 107 L 7.66 4.10 0.00 1.57 1.62 0.67 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.93 4.55 4.62 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 1.37 0.00 0.00 109 S 7.61 4.50 0.00 3.79 3.44 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 0.00 110 Q 7.94 3.71 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 111 C 8.19 3.82 0.00 2.54 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 0.00 0.00 0.00 112 P 0.00 4.00 0.00 1.40 1.91 0.00 3.31 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 113 N 6.64 3.63 0.00 2.40 2.76 0.00 0.00 7.35 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 0.00 114 M 7.48 4.29 0.00 2.23 2.39 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 2.80 2.62 0.00 115 L 7.80 4.38 0.00 1.93 1.79 1.01 1.05 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 0.00 116 F 8.60 4.16 0.00 3.47 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 0.00 117 P 0.00 4.38 0.00 2.13 2.35 0.00 3.97 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 118 Y 8.40 3.98 0.00 3.22 3.02 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 0.00 0.00 0.00 119 A 8.01 4.09 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 0.00 120 R 7.77 3.70 0.00 1.79 1.95 0.00 3.10 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 121 E 7.78 3.94 0.00 2.24 2.13 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 2.23 2.32 0.00 122 L 7.66 3.85 0.00 1.83 1.81 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.46 3.47 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 0.88 0.00 0.00 0.91 0.00 0.00 124 S 8.28 4.03 0.00 3.99 3.86 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 0.00 125 N 8.08 4.11 0.00 2.76 2.98 0.00 0.00 7.39 8.44 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 0.00 126 L 7.82 3.57 0.00 1.23 0.53 0.80 0.41 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 0.00 127 V 7.29 3.37 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 1.17 0.00 0.00 0.59 0.00 0.00 128 N 8.40 4.50 0.00 2.88 2.91 0.00 0.00 7.18 8.38 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 0.00 129 R 9.35 4.33 0.00 1.80 1.91 0.00 3.06 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 130 G 7.75 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.71 3.48 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 0.93 0.00 0.00 132 F 8.29 4.40 0.00 3.32 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 0.00 133 P 0.00 4.50 0.00 2.44 2.05 0.00 4.38 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 1.13 1.61 0.00 134 A 8.36 3.84 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 0.00 135 L 8.47 4.53 0.00 1.77 1.68 1.00 1.13 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 0.00 136 N 8.32 4.71 0.00 2.80 2.82 0.00 0.00 7.16 7.85 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 0.00 137 L 8.14 4.06 0.00 1.67 1.94 0.87 0.71 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 0.00 138 S 8.62 4.77 0.00 4.04 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 0.00 139 P 0.00 4.20 0.00 2.03 2.03 0.00 3.68 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 2.07 2.18 0.00 140 V 7.30 3.85 0.77 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 -0.16 0.00 0.00 0.33 0.00 0.00 141 N 8.04 4.46 0.00 2.68 2.58 0.00 0.00 7.23 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 0.00 142 F 8.34 4.03 0.00 3.15 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 0.00 143 D 8.19 4.44 0.00 2.73 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 0.00 144 A 9.36 4.05 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 0.00 145 L 7.45 4.00 0.00 1.67 1.72 0.56 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.03 4.28 0.00 3.11 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 0.00 147 V 7.72 3.46 2.22 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 0.93 0.00 0.00 1.07 0.00 0.00 148 E 7.63 4.24 0.00 1.98 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 2.30 2.28 0.00 *149 Y 7.52 4.17 0.00 2.33 2.27 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 0.00 150 M 6.94 4.10 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 151 N 8.13 4.49 0.00 2.61 2.66 0.00 0.00 6.77 7.21 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 * Residues marked with a * may have inaccurate shift predictions.