NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3320 8.2893 120.3507 55.6387 32.0731 173.8975 2 S 4.9980 7.6847 118.3471 57.4933 63.6916 175.2306 3 N 5.0317 9.0997 123.6007 51.5931 43.4309 175.8590 4 T 4.2191 8.2333 117.1803 64.4116 69.1522 175.0427 5 L 4.7986 8.2975 117.6706 54.4675 44.8687 175.5724 6 F 5.2063 7.4820 128.5370 58.3258 42.0516 171.9670 7 D 4.9692 7.2965 124.6209 52.8266 44.6552 173.3471 8 D 4.3250 8.1759 123.0853 54.3368 45.6528 174.1705 9 I 5.5062 7.2349 118.8079 59.1577 41.7700 174.6638 10 F 5.1435 9.1709 122.9962 54.6230 43.8346 173.1503 11 Q 5.2521 8.4697 119.0512 53.0355 32.4057 173.5260 12 V 4.0618 8.8609 126.2742 63.7360 31.8541 176.4094 13 S 4.2962 9.5374 124.7025 59.1952 63.2545 174.2600 14 E 5.4693 7.2908 126.0302 56.0321 32.0972 175.6254 15 V 4.5299 8.1171 123.9983 61.1172 34.5584 174.1831 16 D 4.8931 8.7141 125.4552 51.4253 44.5298 174.2655 17 P 5.1590 0.0000 0.0000 61.5864 32.0390 174.9279 18 G 3.4917 7.8799 108.9881 48.0361 0.0000 173.4012 19 R 3.9166 8.7113 122.8013 56.5475 27.9864 175.7112 20 Y 5.1644 7.8577 114.0403 56.6361 40.7610 175.5387 21 N 4.8070 8.8388 119.8183 54.0901 39.8218 176.0337 22 K 4.7486 7.8022 114.8784 56.1890 35.8979 175.4741 23 V 5.0360 7.8654 119.0019 61.5592 35.1406 174.3533 24 C 5.5989 8.8854 123.1387 57.3053 32.5579 172.9833 25 R 4.6742 8.7614 124.7142 55.9107 31.1478 175.1576 26 I 5.1957 8.8345 126.4399 59.9609 41.7552 173.8988 27 E 5.4826 8.7647 119.0828 56.4833 34.3572 174.6366 28 A 5.0051 8.6779 122.3899 51.0805 23.4841 174.0998 29 A 4.8884 8.6077 120.0396 50.6874 22.5479 175.1210 30 S 4.2861 7.9268 112.8876 56.5088 64.2736 174.6054 31 T 4.6848 7.3439 121.6663 63.2476 69.8625 175.2618 32 T 4.2946 6.7322 128.5354 62.9881 75.8989 177.4629 33 Q 4.0382 9.2368 135.0000 57.2642 28.5259 175.8799 34 D 4.5030 8.7406 125.6907 56.3283 40.8835 177.2670 35 Q 4.2281 7.8715 117.0510 56.6253 29.0844 175.9141 36 C 5.2236 8.0944 120.9885 57.7220 30.8987 173.0900 37 K 4.9048 8.1081 124.3335 55.3613 34.3149 175.0683 38 L 4.6358 8.1175 120.6313 54.6496 45.8749 173.8256 39 T 5.0451 8.6970 121.8008 61.7996 72.6201 172.8557 40 L 4.6882 8.4753 122.8488 54.4818 46.3075 173.8766 41 D 5.1600 8.7751 126.7548 54.7107 42.3327 175.9250 42 I 4.2479 8.2940 117.3635 60.3196 42.5407 173.3107 43 N 4.4711 9.7996 126.6565 54.0494 39.4343 174.1531 44 V 4.6418 8.2133 126.2760 62.4661 31.4854 176.1707 45 E 4.4948 8.6802 120.2994 55.7525 31.0279 176.3507 46 L 4.4220 8.8870 118.0935 55.7025 43.0038 176.5405 47 F 4.7113 7.8449 120.6102 55.4734 39.9255 171.7431 48 P 4.4216 0.0000 0.0000 62.4455 31.9895 175.8974 49 V 4.2987 7.7211 117.2378 61.6096 34.3681 173.2733 50 A 4.7128 8.0339 126.2563 49.5276 22.1600 175.8122 51 A 3.7590 8.6093 122.1358 53.7493 18.5611 175.2589 52 Q 3.5547 8.8286 127.2353 56.3321 27.0002 172.7684 53 D 4.8026 8.0834 120.7692 52.9585 45.7709 175.0547 54 S 5.5703 8.7638 118.3896 57.3522 63.6644 173.3893 55 L 5.1940 8.4325 125.1916 51.9947 44.6625 176.0946 56 T 4.5145 8.7797 121.4659 63.7756 69.4332 174.2303 57 V 4.5590 8.7268 128.7275 61.5034 31.2044 175.2490 58 T 5.0474 8.0958 124.1147 62.3232 71.7552 173.5940 59 I 4.9358 8.1084 121.7216 60.8178 42.2297 173.8710 60 A 4.6180 8.1173 125.8290 51.9257 22.1939 175.5845 61 S 5.2071 8.3943 115.0709 55.6275 61.9291 172.7100 62 S 4.5451 7.4885 121.1898 58.3135 66.9841 175.5230 63 L 3.9710 8.7156 127.6331 56.3557 38.1984 179.8790 64 N 4.6991 8.8724 115.5273 52.4738 40.7066 173.5579 65 L 3.9963 8.6269 127.6626 55.8106 40.1334 175.8263 66 E 3.7182 7.2816 116.0708 59.1803 29.8508 176.9866 *76 T 4.0570 7.3539 115.1078 63.1289 68.8298 174.6392 77 R 4.2795 8.3605 118.7848 56.0800 28.8385 175.6780 78 S 4.1062 8.0389 113.9462 57.5529 63.4379 174.5236 79 W 4.6967 8.2903 131.9446 54.1840 30.1377 174.5612 80 R 3.9055 7.8728 121.5566 55.3636 31.8151 174.8648 81 P 3.2405 0.0000 0.0000 62.7234 31.6848 175.2191 82 P 4.3262 0.0000 0.0000 63.3532 30.6662 177.8950 83 Q 3.6810 9.6894 121.1136 57.2852 27.6431 175.1368 84 A 4.1868 7.7307 117.2859 53.2701 18.3731 178.9891 85 G 3.8077 8.0305 106.6286 47.7672 0.0000 174.3189 86 D 4.6593 7.6104 118.0045 54.5574 40.9381 176.8058 87 R 3.9243 7.2803 117.4220 55.0755 30.6514 175.9776 88 S 4.2390 8.4008 112.9639 59.2186 63.5501 174.8165 89 L 4.6613 8.0477 120.9501 52.7751 41.9725 177.1139 90 A 4.1673 10.6000 119.3367 53.2319 18.4872 178.9736 91 D 4.6697 8.6210 115.7701 54.5563 39.1513 178.5755 92 D 4.8085 7.8356 120.9525 54.0234 39.3865 174.7793 93 Y 4.6471 10.3040 115.4804 57.6228 42.5382 174.3825 94 D 4.7570 9.1480 119.1609 56.5510 42.0172 176.6927 95 Y 4.2744 7.4524 119.2740 56.5256 40.1967 174.4580 96 V 5.1755 8.1900 125.3877 60.8554 31.3413 173.8340 97 M 4.4881 7.7276 124.7560 55.1809 34.6601 174.5774 98 Y 5.3504 8.3157 115.0081 56.6862 41.9032 171.2855 99 G 3.8314 9.0312 118.3709 45.7884 0.0000 173.1032 100 T 5.6505 10.4290 123.4511 60.8956 73.6703 171.3798 101 A 4.0700 7.4489 125.4028 51.4927 20.0525 174.7206 102 Y 3.9554 9.7688 123.3879 58.0005 38.0322 176.2453 103 K 4.3711 7.8797 118.0574 54.3452 34.9846 176.3292 104 F 5.2157 8.1865 120.9495 55.9063 38.2814 174.1276 105 E 4.0694 8.3921 121.0936 57.1259 31.4578 176.5265 106 E 4.3355 8.4705 120.8357 53.9423 31.0157 176.2556 107 V 3.8998 8.0964 126.2483 63.9902 28.7220 176.9030 108 S 3.2030 8.6000 120.1169 59.9293 64.0398 176.1821 109 K 3.5470 7.7930 113.7349 56.8211 33.4211 173.6796 110 D 4.5048 6.4685 124.1413 53.8678 43.5299 177.9901 111 L 5.1068 7.7654 120.8800 53.9894 40.5433 176.9285 112 I 3.9204 7.3892 119.6540 62.0697 39.0191 176.8687 113 A 4.6170 8.1973 125.1414 50.7326 21.7922 176.0996 114 V 4.2359 8.0527 115.8536 60.2005 34.4601 174.5282 115 Y 5.2029 8.7910 121.6815 56.5835 40.2277 174.3908 116 Y 5.1702 9.7564 122.2191 56.3609 41.2541 174.6566 117 S 4.8486 9.7960 117.4149 56.4817 66.5485 172.8198 118 F 4.6222 9.7959 124.2770 55.9880 40.0424 174.9707 119 G 3.7730 8.7386 108.0761 46.1187 0.0000 170.7886 120 G 4.0064 8.6284 114.9299 45.8948 0.0000 174.2789 121 L 4.4978 7.4265 120.7079 53.9905 43.3632 176.6073 122 L 5.4922 9.2406 122.9620 53.9882 44.9690 174.7610 123 M 4.9091 8.6810 116.2856 55.2335 36.3233 173.3770 124 R 4.8565 8.8276 124.8004 54.9092 34.1498 173.7817 125 L 4.8683 7.5132 127.8136 55.0015 45.2419 174.5240 126 E 5.1462 7.3166 115.1442 56.8987 32.8158 175.1417 127 G 4.1976 8.4811 118.1703 44.6195 0.0000 174.4211 128 N 5.2346 8.2003 135.0000 54.6551 39.9783 172.7887 129 Y 5.0741 7.3820 115.8248 57.9679 38.8090 175.9110 130 R 4.8409 7.7636 116.5030 57.0542 32.5730 177.3407 131 N 4.2427 8.7631 112.5409 56.3260 37.2614 176.5907 132 L 4.3079 9.3569 126.8169 57.1864 42.4522 177.3059 133 N 4.5752 7.9850 116.5931 54.8642 39.3278 174.9791 134 N 4.6823 8.2125 118.3378 52.4104 38.9651 174.5370 135 L 4.6217 8.3517 125.9041 53.9104 42.9744 177.8155 136 K 3.8950 8.5160 118.2527 56.9581 32.1610 177.3854 137 Q 4.0512 7.4480 118.9999 56.1794 29.4493 177.5305 138 E 4.0275 8.6185 118.6328 58.5893 30.2027 175.7485 139 N 4.8402 8.0612 114.7892 52.0935 39.3423 174.5053 140 A 5.4958 8.1099 135.0000 52.7537 20.0665 175.5005 141 Y 4.5502 8.5883 120.7756 58.4963 39.4287 175.3970 142 L 4.5322 8.8153 125.9383 54.4241 44.4675 174.9646 143 L 5.6199 7.8438 119.3401 54.2082 46.7215 174.7032 144 I 5.6844 8.1096 120.3171 60.5922 42.2949 173.6992 145 R 4.8279 8.6815 115.6472 57.1763 32.0147 175.2319 146 R 4.3313 9.0471 119.9780 56.6479 30.5635 175.9377 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 M 8.29 4.33 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 S 7.68 5.00 0.00 4.08 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 3 N 9.10 5.03 0.00 2.69 2.72 0.00 0.00 7.19 7.54 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 4 T 8.23 4.22 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 1.33 0.00 0.00 5 L 8.30 4.80 0.00 1.80 1.88 1.06 1.11 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 6 F 7.48 5.21 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.30 4.97 0.00 2.59 2.30 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 8 D 8.18 4.33 0.00 2.35 2.36 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 9 I 7.23 5.51 1.85 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 1.44 1.68 1.01 0.00 0.00 10 F 9.17 5.14 0.00 2.93 3.16 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 0.00 0.00 0.00 0.00 11 Q 8.47 5.25 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 12 V 8.86 4.06 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 0.99 0.00 0.00 1.03 0.00 0.00 13 S 9.54 4.30 0.00 3.90 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 14 E 7.29 5.47 0.00 2.18 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 2.15 2.05 0.00 15 V 8.12 4.53 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 0.87 0.00 0.00 0.96 0.00 0.00 16 D 8.71 4.89 0.00 2.77 2.64 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 17 P 0.00 5.16 0.00 2.27 2.25 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 18 G 7.88 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 19 R 8.71 3.92 0.00 1.76 2.02 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 20 Y 7.86 5.16 0.00 2.97 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 21 N 8.84 4.81 0.00 2.72 2.88 0.00 0.00 6.79 7.61 0.00 0.00 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 K 7.80 4.75 0.00 1.62 1.73 0.00 1.58 0.00 0.00 2.06 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.42 7.81 23 V 7.87 5.04 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 0.99 0.00 0.00 0.92 0.00 0.00 24 C 8.89 5.60 0.00 2.95 2.81 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 0.00 0.00 0.00 25 R 8.76 4.67 0.00 2.15 1.82 0.00 3.13 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 26 I 8.83 5.20 1.90 0.00 0.00 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 1.27 0.79 1.02 0.00 0.00 27 E 8.76 5.48 0.00 1.91 1.80 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 2.33 2.11 0.00 28 A 8.68 5.01 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 29 A 8.61 4.89 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 30 S 7.93 4.29 0.00 4.09 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 31 T 7.34 4.68 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 1.18 0.00 0.00 32 T 6.73 4.29 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 1.22 0.00 0.00 33 Q 9.24 4.04 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.95 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 34 D 8.74 4.50 0.00 2.72 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 35 Q 7.87 4.23 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.23 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 36 C 8.09 5.22 0.00 2.90 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 37 K 8.11 4.90 0.00 1.66 1.76 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.43 7.81 38 L 8.12 4.64 0.00 1.42 1.14 0.78 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.70 5.05 4.30 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 1.24 0.00 0.00 40 L 8.48 4.69 0.00 1.66 1.38 1.03 0.91 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 41 D 8.78 5.16 0.00 2.66 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 42 I 8.29 4.25 1.99 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 0.77 0.19 1.37 0.00 0.00 43 N 9.80 4.47 0.00 2.81 2.85 0.00 0.00 6.44 7.74 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 44 V 8.21 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 0.94 0.00 0.00 1.11 0.00 0.00 45 E 8.68 4.49 0.00 1.95 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 2.19 2.29 0.00 46 L 8.89 4.42 0.00 1.49 1.48 0.79 0.15 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 47 F 7.84 4.71 0.00 2.68 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 48 P 0.00 4.42 0.00 1.91 1.92 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 49 V 7.72 4.30 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 0.79 0.00 0.00 1.05 0.00 0.00 50 A 8.03 4.71 1.21 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 0.00 0.00 51 A 8.61 3.76 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 52 Q 8.83 3.55 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 53 D 8.08 4.80 0.00 2.61 2.56 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 54 S 8.76 5.57 0.00 3.93 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 55 L 8.43 5.19 0.00 1.73 1.76 1.18 1.28 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 56 T 8.78 4.51 4.45 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 1.45 0.00 0.00 57 V 8.73 4.56 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 1.11 0.00 0.00 0.84 0.00 0.00 58 T 8.10 5.05 3.87 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 1.31 0.00 0.00 59 I 8.11 4.94 1.94 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.36 0.86 0.00 0.00 60 A 8.12 4.62 1.26 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 0.00 0.00 61 S 8.39 5.21 0.00 4.00 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 62 S 7.49 4.55 0.00 3.79 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 63 L 8.72 3.97 0.00 1.70 1.13 0.83 0.61 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 64 N 8.87 4.70 0.00 2.65 2.73 0.00 0.00 6.85 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 65 L 8.63 4.00 0.00 1.79 1.81 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.28 3.72 0.00 1.93 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 2.49 2.23 0.00 *76 T 7.35 4.06 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 1.26 0.00 0.00 77 R 8.36 4.28 0.00 2.07 2.11 0.00 3.34 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 78 S 8.04 4.11 0.00 3.89 3.87 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 79 W 8.29 4.70 0.00 3.29 3.20 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 0.00 0.00 0.00 0.00 80 R 7.87 3.91 0.00 1.52 1.83 0.00 3.47 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 81 P 0.00 3.24 0.00 1.93 1.78 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 82 P 0.00 4.33 0.00 2.14 1.50 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 83 Q 9.69 3.68 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 84 A 7.73 4.19 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 85 G 8.03 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.61 4.66 0.00 2.69 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 87 R 7.28 3.92 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 88 S 8.40 4.24 0.00 3.94 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 89 L 8.05 4.66 0.00 1.65 1.91 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 90 A 10.60 4.17 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 91 D 8.62 4.67 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 92 D 7.84 4.81 0.00 2.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 10.30 4.65 0.00 2.89 3.18 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 0.00 94 D 9.15 4.76 0.00 2.38 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 95 Y 7.45 4.27 0.00 2.33 2.37 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 96 V 8.19 5.18 2.20 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 1.18 0.00 0.00 1.00 0.00 0.00 97 M 7.73 4.49 0.00 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 98 Y 8.32 5.35 0.00 2.77 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 99 G 9.03 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 0.00 100 T 10.43 5.65 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 1.06 0.00 0.00 101 A 7.45 4.07 -0.07 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 0.00 0.00 102 Y 9.77 3.96 0.00 2.96 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.37 0.00 1.64 1.41 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.45 7.81 104 F 8.19 5.22 0.00 2.79 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 0.00 105 E 8.39 4.07 0.00 2.34 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 2.43 2.44 0.00 106 E 8.47 4.34 0.00 1.84 1.83 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 2.21 2.31 0.00 107 V 8.10 3.90 2.23 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 0.77 0.00 0.00 0.95 0.00 0.00 108 S 8.60 3.20 0.00 4.12 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 0.00 109 K 7.79 3.55 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.36 7.81 110 D 6.47 4.50 0.00 2.75 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 0.00 111 L 7.77 5.11 0.00 1.86 1.66 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.39 3.92 1.78 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 1.26 1.05 0.91 0.00 0.00 113 A 8.20 4.62 1.01 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 0.00 0.00 114 V 8.05 4.24 1.67 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 -0.58 0.00 0.00 0.74 0.00 0.00 115 Y 8.79 5.20 0.00 1.99 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 0.00 0.00 0.00 116 Y 9.76 5.17 0.00 2.81 2.49 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 0.00 117 S 9.80 4.85 0.00 3.37 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 0.00 118 F 9.80 4.62 0.00 2.85 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 0.00 119 G 8.74 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 0.00 0.00 0.00 120 G 8.63 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 0.00 0.00 0.00 121 L 7.43 4.50 0.00 1.83 1.72 0.98 0.67 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 0.00 122 L 9.24 5.49 0.00 1.70 1.86 1.09 0.70 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 0.00 123 M 8.68 4.91 0.00 2.44 2.09 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 124 R 8.83 4.86 0.00 1.63 1.49 0.00 2.68 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 125 L 7.51 4.87 0.00 1.41 1.28 0.87 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.32 5.15 0.00 1.91 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 2.05 1.99 0.00 127 G 8.48 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.20 5.23 0.00 2.89 2.84 0.00 0.00 6.61 7.56 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 0.00 129 Y 7.38 5.07 0.00 3.04 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 0.00 130 R 7.76 4.84 0.00 1.79 1.83 0.00 3.06 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.00 131 N 8.76 4.24 0.00 2.82 2.47 0.00 0.00 7.05 6.74 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 0.00 132 L 9.36 4.31 0.00 1.69 1.77 0.95 1.00 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 0.00 133 N 7.98 4.58 0.00 2.81 3.22 0.00 0.00 6.84 8.01 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 0.00 134 N 8.21 4.68 0.00 2.64 2.93 0.00 0.00 7.29 7.98 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 0.00 135 L 8.35 4.62 0.00 1.93 1.66 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.52 3.89 0.00 1.53 1.21 0.00 1.64 0.00 0.00 1.39 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.84 1.44 7.81 137 Q 7.45 4.05 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 138 E 8.62 4.03 0.00 1.95 1.93 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 2.45 2.22 0.00 139 N 8.06 4.84 0.00 2.89 2.92 0.00 0.00 7.15 7.35 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 0.00 140 A 8.11 5.50 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.59 4.55 0.00 2.88 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 0.00 142 L 8.82 4.53 0.00 1.86 1.24 0.87 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.84 5.62 0.00 0.97 0.63 0.76 -0.20 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 0.00 144 I 8.11 5.68 1.55 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.16 0.92 0.00 0.00 145 R 8.68 4.83 0.00 1.85 2.05 0.00 2.79 0.00 0.00 2.84 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 146 R 9.05 4.33 0.00 2.24 2.30 0.00 3.43 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.