NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4053 8.1933 115.2913 58.1475 63.5665 175.0418 6 K 4.0593 7.7970 117.2500 56.6587 32.1182 175.2073 7 E 4.2319 8.8057 121.1018 58.9627 28.8176 177.5677 8 D 4.4572 7.6975 117.7370 56.3809 41.1183 177.9279 9 T 4.2112 7.8082 113.1157 63.7541 67.5588 175.6553 10 E 4.0286 7.6362 118.5682 59.2872 29.8648 178.2805 11 I 3.6041 8.0990 119.1318 64.3387 38.1355 177.6568 12 T 3.9652 7.4788 108.6140 64.8338 68.6940 176.6055 13 I 3.7679 7.0251 120.5828 64.5579 37.2290 178.0559 14 Q 4.2507 8.1926 119.9024 59.2560 28.7882 179.0973 15 K 4.2282 8.1220 125.0203 59.5718 31.6421 182.0942 16 I 3.9053 7.9206 119.9828 61.7873 37.2744 178.1044 *18 D 4.5138 8.1251 119.4550 54.4117 43.0502 177.5819 19 A 3.8828 7.9542 120.4276 55.6125 18.2182 179.4519 20 V 3.1138 8.0941 116.7415 65.9679 31.2588 177.9687 21 V 3.4745 7.6078 116.9947 67.0326 31.5841 176.8024 22 D 4.2678 8.3809 117.5864 57.2570 40.9325 177.8594 23 Q 4.1691 8.8722 119.4405 58.8314 28.8201 178.7894 24 L 4.0947 8.3639 120.3866 56.9303 42.1097 177.1913 25 L 4.6810 8.0857 115.6845 54.8228 44.0214 177.6562 26 R 4.1138 8.0403 117.6474 57.8929 30.2529 176.4881 27 L 4.5135 7.8132 114.3453 53.1299 43.4513 177.3595 28 G 3.9938 8.0724 104.4985 44.9962 0.0000 173.4424 29 Y 4.0715 8.4477 119.0249 60.8182 39.0743 176.3357 30 D 4.5311 8.4437 117.8796 57.5239 41.4187 178.3267 31 K 4.1301 7.6673 117.6208 55.3243 31.4969 175.4858 *33 S 4.1872 7.4370 114.2415 57.9169 64.7580 174.9622 34 Y 3.8729 8.8769 118.1262 61.3713 37.3565 177.9660 35 T 3.5479 7.8385 106.2803 65.2910 69.0913 175.5686 36 T 3.8979 8.1305 111.6126 64.3525 68.9457 176.1493 37 L 3.8208 7.4103 120.3586 57.3522 41.8269 179.1507 38 S 4.3316 8.9590 115.3827 60.9881 62.1486 176.0389 39 Q 3.9409 7.8954 119.6055 59.3150 28.7541 179.6023 40 Q 4.0797 8.3226 118.8583 58.4818 29.0833 177.2538 41 T 4.5212 8.3316 115.1569 62.3830 70.4954 175.0887 42 G 3.9235 8.1425 106.8962 45.8741 0.0000 173.0275 43 V 4.4678 7.3328 112.5855 58.6559 34.1534 175.8363 44 S 4.2962 8.4616 118.8725 58.6483 64.7956 175.7133 45 R 4.3325 8.5182 121.2022 58.6201 29.9739 179.0594 46 T 4.1814 7.3263 114.7041 64.0709 66.0669 176.1673 47 G 3.9300 7.7215 106.6358 48.6008 0.0000 175.1858 48 I 4.0209 8.6181 123.0333 63.6335 37.1175 178.3783 49 S 5.0720 8.4673 116.7653 61.5948 62.3061 175.9665 50 H 4.1262 8.5972 121.2371 60.0333 29.5805 176.4618 51 H 4.2870 7.4806 115.3422 56.7761 29.4941 175.5030 52 F 4.6713 8.2167 120.9147 54.6504 38.9416 173.9714 53 P 4.5892 0.0000 0.0000 63.7829 31.8992 177.3191 54 K 4.7576 7.8940 116.5251 53.4743 35.7732 177.2275 55 K 3.7908 8.7266 122.6726 59.6124 32.1802 178.9824 56 T 4.1965 7.9422 108.8179 63.8588 68.7857 175.8527 57 D 4.5256 8.4426 122.8282 57.1305 40.5570 178.4594 58 F 4.3922 7.8615 118.4464 60.5694 38.6610 177.4617 59 T 3.9666 7.9825 108.8416 64.5711 68.5958 176.3053 60 A 4.1702 8.0925 123.5013 55.2081 18.0619 179.4420 61 A 4.2388 8.0308 118.1945 55.2862 18.7660 179.2742 62 L 4.0887 7.8681 116.8253 56.6628 41.5160 178.1785 63 D 4.4276 8.0756 113.6862 53.1372 39.2816 173.4211 64 G 3.9557 8.2013 116.6286 46.3495 0.0000 175.2727 65 R 3.9441 7.7354 120.9823 59.8308 29.7110 178.2236 66 I 3.9599 7.7681 118.8683 64.3118 37.2715 177.8591 67 F 4.2500 8.2362 121.2291 60.6241 37.4800 175.5016 68 K 4.2691 7.7213 117.5711 56.7812 32.9861 178.5923 *70 F 4.7622 8.0212 122.9532 58.2536 40.9026 176.3851 71 I 4.0525 7.2749 112.0996 61.9600 37.8405 177.2816 72 E 4.0847 7.3824 119.1999 58.9648 29.3491 177.5191 73 H 4.2095 7.6182 114.5019 56.4853 29.2100 175.2392 74 L 4.1149 7.0706 118.6804 52.5609 43.4658 176.0709 75 E 4.2893 8.2226 123.1799 55.1111 28.8096 176.3494 76 F 4.9541 8.6560 124.2042 57.9106 39.6342 176.2806 77 E 4.8010 8.1685 118.9559 55.8002 29.8918 175.7235 78 K 4.5994 8.3325 113.9453 56.0316 34.1160 176.7318 79 G 4.1111 8.5785 104.8613 45.1568 0.0000 175.1503 80 L 2.8551 8.3120 119.5687 57.5999 41.9580 178.3244 81 D 4.2684 7.9722 117.2964 57.2328 41.3230 177.5667 82 A 3.9890 8.0993 120.8285 55.4778 18.3067 179.2019 83 F 4.3117 8.1108 119.9659 60.9522 39.4391 177.3189 84 S 3.9993 8.2361 112.8217 61.4085 62.2522 175.9596 85 Q 4.2009 8.5412 120.6798 57.9062 28.4406 178.6600 86 S 3.9431 7.6400 116.1228 60.9762 63.1151 176.2334 87 W 3.5890 7.5457 131.7075 59.8993 30.2028 177.8701 88 I 3.7413 7.5034 118.4429 64.5131 36.9912 178.1315 89 K 4.0053 7.8409 119.6072 59.2702 31.9434 178.6980 90 A 3.6101 7.7442 121.2918 54.6606 17.8932 179.2264 91 L 4.3942 7.5430 116.2406 57.3831 41.9746 178.4998 92 E 4.3977 7.8192 116.6168 55.4656 30.6454 175.2348 93 D 4.7156 8.0296 120.9591 53.1906 42.3908 177.1686 94 S 4.3216 8.5521 121.0356 60.7685 63.4632 176.1836 95 E 3.8115 8.2247 122.9426 59.0455 29.3366 178.3573 96 F 3.9107 8.7219 120.9844 61.1658 39.4148 176.8192 97 L 3.7279 7.8763 119.5593 58.0347 41.8935 178.4660 98 A 3.9145 8.5510 121.3138 55.4766 18.2208 179.7269 99 I 3.5720 7.6973 117.9187 64.4961 37.0871 178.7180 100 L 3.3988 7.2372 119.4623 57.2481 41.2712 179.3795 101 R 3.9771 7.9275 118.8876 59.3332 29.8240 177.8629 102 L 3.8185 7.4922 118.7244 58.5805 42.2001 178.3374 103 L 4.1685 7.8021 119.6672 58.5411 41.8722 178.7922 104 F 4.5442 8.8766 118.4387 61.1637 38.7804 177.4053 105 H 4.2405 9.0689 118.2415 59.5776 29.3854 177.0951 106 H 4.1126 8.7779 118.4026 58.6379 28.2768 177.8267 107 I 3.8151 7.5008 121.3016 63.7327 36.9427 177.7173 108 V 4.0205 7.3454 118.2030 64.4270 32.2904 176.6637 109 T 4.5424 7.4406 113.0315 60.9543 67.3728 176.0008 110 S 4.3182 8.5833 118.3794 58.1862 64.0569 175.3703 111 E 4.1130 8.9289 120.5287 61.6309 29.0911 180.1418 112 S 4.3807 8.1556 114.2075 61.5183 63.0858 176.2489 113 A 4.2540 7.7113 119.4183 53.3275 18.3549 178.4307 114 H 4.4197 8.2555 118.5250 59.0193 29.8536 177.0063 115 E 4.0271 8.3126 118.8572 59.4411 29.2152 178.6741 116 F 4.0804 8.4286 121.0032 60.5150 39.3898 176.4569 117 A 4.0310 8.1169 119.8406 54.4580 19.4293 178.8995 118 A 3.8827 7.9045 118.7823 55.6026 18.3022 179.1621 119 N 4.4316 7.8667 114.7960 56.4340 39.0919 177.4893 120 G 3.3328 7.5776 107.0254 47.6157 0.0000 175.8206 121 I 3.6841 7.6588 122.0436 64.3023 37.1067 177.9652 122 D 4.4999 7.7303 117.6012 57.2663 40.7390 178.2671 123 R 3.7367 7.5813 118.1523 59.2573 30.1160 178.1147 124 L 4.3429 7.7720 117.5408 58.2373 41.9948 178.5907 125 Y 4.5733 8.6042 116.7042 61.2778 37.7780 181.4584 126 K 3.9106 8.8984 119.8496 56.3970 32.4721 179.4766 *128 V 4.1839 7.8527 120.6779 61.8976 33.6129 177.4200 129 E 4.3209 8.4018 120.3369 58.9654 29.4303 178.8671 130 S 4.5392 7.6776 111.7846 59.8596 63.7676 175.2567 131 Q 3.9274 7.8007 119.4728 57.6081 28.8700 176.3109 132 F 4.8535 8.0128 111.6307 56.1662 41.4135 175.9639 133 G 3.9061 8.7165 111.2096 44.5071 0.0000 174.2094 134 S 4.2968 8.5661 111.6234 60.3043 63.4203 176.1956 135 G 3.8925 8.5615 110.8655 48.9506 0.0000 175.7462 136 G 3.8608 8.3688 106.5937 47.7260 0.0000 174.8014 137 D 4.6604 8.0039 120.5866 58.1143 40.9105 178.9482 138 K 4.4083 8.0660 120.3506 58.9217 32.2487 178.5873 139 E 3.9987 7.8279 119.9005 59.2022 29.6246 178.1435 140 L 3.7093 7.8603 120.4215 58.5195 41.8976 178.9219 141 E 3.9082 8.1551 117.9814 59.2310 29.4317 179.2416 142 W 4.1841 8.3781 128.3459 60.3530 30.6577 178.0240 143 L 3.0749 8.0822 119.3932 57.4505 40.7765 179.4781 144 I 3.9758 7.6513 119.9000 64.4571 37.0236 178.1222 145 G 3.6769 7.7712 106.2186 48.3167 0.0000 175.5552 146 R 3.7233 7.4741 120.3958 58.5849 29.8980 179.1080 147 S 4.2249 7.8840 113.7148 61.8379 63.0455 176.2486 148 L 4.2169 7.9900 121.4222 58.4627 41.8670 178.6532 149 I 3.8456 7.4619 118.3087 64.1441 37.3106 178.7603 150 Q 4.1210 8.6476 123.5870 55.7042 28.6281 178.3846 *152 S 4.3836 8.0459 114.3549 57.8705 65.2987 173.6702 153 K 4.0509 7.6591 123.7225 56.7886 31.7865 176.3117 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 S 8.19 4.41 0.00 3.88 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 6 K 7.80 4.06 0.00 1.92 1.82 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.60 7.81 7 E 8.81 4.23 0.00 2.06 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 2.38 2.45 0.00 8 D 7.70 4.46 0.00 2.56 2.72 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 9 T 7.81 4.21 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 1.27 0.00 0.00 10 E 7.64 4.03 0.00 2.14 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 0.00 2.30 2.36 0.00 11 I 8.10 3.60 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.06 1.02 0.00 0.00 12 T 7.48 3.97 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 1.25 0.00 0.00 13 I 7.03 3.77 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.20 0.98 0.00 0.00 14 Q 8.19 4.25 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 15 K 8.12 4.23 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 16 I 7.92 3.91 2.18 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.60 0.60 0.00 0.00 *18 D 8.13 4.51 0.00 3.03 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 19 A 7.95 3.88 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 20 V 8.09 3.11 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 0.74 0.00 0.00 0.03 0.00 0.00 21 V 7.61 3.47 2.16 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 0.88 0.00 0.00 0.91 0.00 0.00 22 D 8.38 4.27 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.87 4.17 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 24 L 8.36 4.09 0.00 1.75 1.64 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.09 4.68 0.00 1.53 1.61 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.04 4.11 0.00 1.82 1.90 0.00 3.15 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 L 7.81 4.51 0.00 1.58 1.59 0.84 0.67 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 28 G 8.07 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 0.00 0.00 0.00 29 Y 8.45 4.07 0.00 2.77 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 30 D 8.44 4.53 0.00 2.74 2.78 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 31 K 7.67 4.13 0.00 1.87 1.75 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 *33 S 7.44 4.19 0.00 4.05 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 34 Y 8.88 3.87 0.00 3.07 3.21 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 0.00 35 T 7.84 3.55 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 1.24 0.00 0.00 36 T 8.13 3.90 4.18 0.00 0.00 0.00 0.00 0.00 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 37 L 7.41 3.82 0.00 1.83 1.65 0.56 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.96 4.33 0.00 3.92 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 0.00 39 Q 7.90 3.94 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 40 Q 8.32 4.08 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 41 T 8.33 4.52 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 42 G 8.14 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 43 V 7.33 4.47 2.17 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 0.89 0.00 0.00 1.01 0.00 0.00 44 S 8.46 4.30 0.00 4.08 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 45 R 8.52 4.33 0.00 1.92 2.17 0.00 3.15 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 46 T 7.33 4.18 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 1.22 0.00 0.00 47 G 7.72 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 48 I 8.62 4.02 2.28 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.75 1.43 0.00 0.00 49 S 8.47 5.07 0.00 3.77 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 50 H 8.60 4.13 0.00 3.08 3.56 0.00 5.94 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 51 H 7.48 4.29 0.00 3.02 2.55 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.22 4.67 0.00 2.79 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 53 P 0.00 4.59 0.00 2.04 2.10 0.00 3.99 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 54 K 7.89 4.76 0.00 1.74 1.67 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 K 8.73 3.79 0.00 1.89 1.90 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.23 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.48 7.81 56 T 7.94 4.20 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 1.29 0.00 0.00 57 D 8.44 4.53 0.00 2.89 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 58 F 7.86 4.39 0.00 3.14 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 59 T 7.98 3.97 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 0.90 0.00 0.00 60 A 8.09 4.17 1.51 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 61 A 8.03 4.24 1.73 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 0.00 0.00 62 L 7.87 4.09 0.00 1.89 1.85 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.08 4.43 0.00 2.94 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 64 G 8.20 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 0.00 0.00 0.00 65 R 7.74 3.94 0.00 1.88 2.05 0.00 3.28 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 66 I 7.77 3.96 1.98 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 1.56 0.60 0.97 0.00 0.00 67 F 8.24 4.25 0.00 3.04 3.24 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 68 K 7.72 4.27 0.00 1.89 1.80 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.59 7.81 *70 F 8.02 4.76 0.00 2.98 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 71 I 7.27 4.05 1.95 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 0.87 0.64 0.77 0.00 0.00 72 E 7.38 4.08 0.00 1.86 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 2.30 2.35 0.00 73 H 7.62 4.21 0.00 2.77 2.62 0.00 5.82 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.07 4.11 0.00 1.19 0.77 0.24 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.22 4.29 0.00 1.96 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 2.38 0.00 76 F 8.66 4.95 0.00 3.18 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 77 E 8.17 4.80 0.00 2.05 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 2.26 2.33 0.00 78 K 8.33 4.60 0.00 1.79 1.78 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.46 7.81 79 G 8.58 4.11 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 0.00 0.00 0.00 80 L 8.31 2.86 0.00 1.31 1.47 0.26 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.97 4.27 0.00 2.79 2.63 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 82 A 8.10 3.99 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 83 F 8.11 4.31 0.00 3.64 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 84 S 8.24 4.00 0.00 4.12 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 85 Q 8.54 4.20 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 86 S 7.64 3.94 0.00 3.82 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 87 W 7.55 3.59 0.00 3.03 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 88 I 7.50 3.74 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.01 0.94 0.00 0.00 89 K 7.84 4.01 0.00 1.74 1.68 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 90 A 7.74 3.61 -0.02 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 0.00 0.00 91 L 7.54 4.39 0.00 1.91 1.88 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.82 4.40 0.00 2.15 1.97 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 2.28 2.30 0.00 93 D 8.03 4.72 0.00 2.58 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 94 S 8.55 4.32 0.00 4.08 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 0.00 95 E 8.22 3.81 0.00 2.07 2.24 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 2.41 2.38 0.00 96 F 8.72 3.91 0.00 2.66 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 97 L 7.88 3.73 0.00 1.97 1.62 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.55 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.57 1.86 0.00 0.00 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 1.51 0.88 0.74 0.00 0.00 100 L 7.24 3.40 0.00 1.37 0.77 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.93 3.98 0.00 1.97 1.89 0.00 3.13 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 102 L 7.49 3.82 0.00 1.79 1.83 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.80 4.17 0.00 1.77 1.57 0.89 1.05 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 0.00 104 F 8.88 4.54 0.00 3.19 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 0.00 105 H 9.07 4.24 0.00 3.22 3.62 0.00 5.59 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 0.00 106 H 8.78 4.11 0.00 3.55 3.59 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.50 3.82 2.11 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 1.49 0.84 0.95 0.00 0.00 108 V 7.35 4.02 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 0.86 0.00 0.00 0.98 0.00 0.00 109 T 7.44 4.54 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 1.15 0.00 0.00 110 S 8.58 4.32 0.00 4.01 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 0.00 111 E 8.93 4.11 0.00 1.99 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 0.00 2.32 1.99 0.00 112 S 8.16 4.38 0.00 3.87 4.02 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 0.00 113 A 7.71 4.25 1.11 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 0.00 0.00 114 H 8.26 4.42 0.00 3.59 3.40 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.31 4.03 0.00 2.31 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 0.00 2.42 2.52 0.00 116 F 8.43 4.08 0.00 3.15 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 0.00 117 A 8.12 4.03 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 0.00 118 A 7.90 3.88 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 0.00 119 N 7.87 4.43 0.00 2.96 2.71 0.00 0.00 7.04 7.63 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 0.00 120 G 7.58 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 0.00 0.00 0.00 121 I 7.66 3.68 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.99 0.00 0.00 122 D 7.73 4.50 0.00 2.85 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 0.00 123 R 7.58 3.74 0.00 1.79 1.90 0.00 2.52 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.22 0.00 124 L 7.77 4.34 0.00 1.91 1.79 1.24 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.60 4.57 0.00 3.31 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 0.00 126 K 8.90 3.91 0.00 2.03 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 *128 V 7.85 4.18 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 1.02 0.00 0.00 1.00 0.00 0.00 129 E 8.40 4.32 0.00 2.13 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 0.00 2.60 2.77 0.00 130 S 7.68 4.54 0.00 3.93 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 0.00 131 Q 7.80 3.93 0.00 1.57 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 132 F 8.01 4.85 0.00 3.06 2.90 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 0.00 133 G 8.72 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 0.00 0.00 0.00 134 S 8.57 4.30 0.00 4.04 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 0.00 135 G 8.56 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 0.00 136 G 8.37 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 0.00 0.00 0.00 137 D 8.00 4.66 0.00 2.91 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 0.00 138 K 8.07 4.41 0.00 1.87 1.85 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.41 7.81 139 E 7.83 4.00 0.00 2.26 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 2.40 2.53 0.00 140 L 7.86 3.71 0.00 1.88 1.94 0.97 0.61 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 0.00 141 E 8.16 3.91 0.00 2.30 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 2.44 2.73 0.00 142 W 8.38 4.18 0.00 3.38 3.45 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 0.00 143 L 8.08 3.07 0.00 0.83 0.13 0.55 0.20 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 0.00 144 I 7.65 3.98 1.95 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 1.79 0.75 0.85 0.00 0.00 145 G 7.77 3.68 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 0.00 0.00 0.00 146 R 7.47 3.72 0.00 1.17 1.69 0.00 3.22 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.04 0.00 147 S 7.88 4.22 0.00 4.37 4.33 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 0.00 148 L 7.99 4.22 0.00 1.15 1.79 0.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.46 3.85 1.97 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 1.40 0.62 0.91 0.00 0.00 150 Q 8.65 4.12 0.00 2.21 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.38 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 *152 S 8.05 4.38 0.00 4.05 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 0.00 153 K 7.66 4.05 0.00 1.93 1.81 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.