NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2994 8.2931 120.3273 56.2651 33.3617 175.5418 2 G 3.8002 8.8302 106.2783 45.8616 0.0000 171.8013 3 H 4.9562 8.3896 115.9224 55.2126 29.4106 172.0718 4 G 4.1867 7.4677 106.4545 42.9610 0.0000 171.6575 5 A 4.1631 8.3849 122.3339 52.2922 18.6185 177.3605 6 E 4.6491 8.6061 119.3629 55.3933 32.0572 176.3335 7 G 3.8379 7.9130 107.8144 45.1291 0.0000 172.7865 8 E 4.5993 8.3981 120.5046 54.2290 32.1775 175.1886 9 E 4.3431 8.8163 122.9677 57.0639 30.6266 176.0797 10 H 4.7022 8.4567 116.0029 55.4567 28.9920 175.0341 11 A 4.0076 7.5763 122.5587 51.9306 19.0106 177.7430 *34 D 4.3870 8.3571 117.6996 54.2071 42.3717 176.1675 35 F 4.2768 8.8099 129.3191 60.9880 39.5852 176.7254 36 A 3.9607 8.1720 120.2238 55.4617 17.9339 179.5493 37 T 3.7517 7.8321 113.0435 66.6339 68.7064 176.7190 38 V 3.6197 7.3744 119.6384 65.9213 31.5613 177.6144 39 L 3.6612 7.5556 120.1039 58.1937 41.6032 178.8808 40 A 4.0905 7.8856 119.0944 54.2116 18.2033 178.7081 41 S 4.6792 7.2522 112.0520 57.4421 63.8995 174.2041 42 A 4.2220 7.2803 125.2899 52.0120 18.9985 178.0705 43 D 4.8142 9.3915 118.9274 51.8133 42.8645 174.8003 44 P 4.3934 0.0000 0.0000 65.7565 31.3145 178.1963 45 A 3.9295 8.1267 120.0566 54.7595 18.3500 179.2518 46 A 4.0125 8.5278 119.7835 55.1493 18.3576 180.0808 47 G 3.5773 8.0926 104.4120 47.9097 0.0000 175.4614 48 E 2.5400 7.8386 121.0047 58.3979 29.7324 178.8935 49 K 4.0568 7.5265 118.5492 59.2627 32.1146 179.2983 50 V 3.6013 7.7997 118.5517 66.1506 31.3597 177.7859 51 F 4.0754 8.5376 120.1017 60.4597 39.2844 176.9397 52 G 3.9873 7.9573 105.6965 47.9726 0.0000 175.0718 53 K 4.2432 8.0421 118.3033 57.8446 32.4215 177.1336 54 C 4.4068 7.7263 116.0023 58.9914 29.5251 175.9328 55 K 4.4898 7.4479 117.8881 58.0599 31.8193 179.0744 56 A 3.7596 7.8577 121.0242 54.3332 18.6478 177.5914 57 C 4.7592 7.6207 111.8616 59.9389 31.8056 174.0579 58 H 5.1650 8.3913 115.7045 53.8335 32.1071 173.3941 59 K 5.0521 8.7989 121.2567 54.5071 35.6598 176.3146 60 L 4.9115 8.4598 118.1423 54.7031 42.4160 176.8500 61 D 4.7873 8.2089 116.0824 52.9929 39.4617 177.2650 62 G 3.7274 8.5560 107.5184 46.0277 0.0000 174.2224 63 N 4.6754 8.2026 117.1772 52.7200 39.4575 174.2375 64 D 5.2451 8.5031 121.0967 53.0237 44.4924 175.5953 65 G 4.2028 8.3496 114.0768 44.9041 0.0000 174.3544 66 V 3.6992 9.1127 123.4611 64.8444 31.4015 175.0358 67 G 4.0259 8.1564 106.0188 43.1438 0.0000 170.7219 68 P 4.9187 0.0000 0.0000 61.7297 32.4743 175.9385 69 H 4.4882 9.5394 117.1910 56.2983 28.9901 175.2757 70 L 4.5053 9.0130 119.2891 54.2436 42.5761 176.1027 71 N 4.6229 8.0306 117.8338 53.8242 37.7413 175.1876 72 G 3.9026 8.9068 111.2158 45.9236 0.0000 174.8571 73 V 3.6231 7.7433 122.3465 63.9930 31.5367 176.5080 74 V 3.9521 7.5732 120.6027 64.3852 31.2727 175.8652 75 G 4.0048 9.2737 117.3779 45.0201 0.0000 173.1059 76 R 4.2480 8.1261 121.1131 55.9209 31.4759 175.7623 77 T 4.4539 8.5561 120.6008 63.3790 69.0125 174.0550 78 V 3.3875 8.1228 125.9529 63.0543 32.1774 175.6373 79 A 2.0000 8.2462 128.7684 53.0069 15.5382 177.8325 80 G 3.9567 7.7598 108.2437 46.2144 0.0000 174.3989 81 V 3.8576 8.1850 121.7285 62.3669 31.9444 175.0803 82 D 4.6573 8.7438 127.6195 55.9763 41.1108 177.0564 83 G 3.9881 9.0249 111.4996 45.3224 0.0000 173.0232 84 F 4.1041 7.7778 122.0946 57.0671 39.9891 175.4526 85 N 4.4338 6.9138 126.9319 52.3718 37.3378 173.8993 86 Y 4.5506 8.0185 121.0885 56.7824 39.1505 176.5777 87 S 4.4370 8.7154 117.1178 58.5215 65.1210 175.1405 88 D 4.3953 8.6767 122.6292 57.1763 40.4133 177.4250 89 P 4.3447 0.0000 0.0000 65.6801 31.8321 177.9507 90 M 4.1149 7.9455 118.2070 58.5064 32.0122 178.1042 91 K 3.8682 8.1647 118.3959 59.0365 32.4651 177.7396 92 A 4.3069 7.6472 118.2326 52.8701 18.9399 178.4498 93 H 3.9862 7.6397 117.0379 57.9009 30.2718 176.5803 94 G 3.7720 7.5166 103.1096 46.1702 0.0000 173.6294 95 G 3.7213 8.3047 106.5313 44.5283 0.0000 172.1373 96 D 5.0998 7.7743 115.9977 52.2575 45.2292 175.5494 97 W 4.8928 8.6995 122.8548 56.0162 27.4305 176.3773 98 T 4.4604 7.5847 113.1401 60.6107 70.8701 173.5300 99 P 4.3808 0.0000 0.0000 65.7022 31.2891 178.6461 100 E 3.6813 8.2542 117.3813 59.2402 29.6490 178.3703 101 A 4.4280 7.9563 122.1110 54.5881 18.3862 179.6532 102 L 4.1582 8.5879 117.9299 58.1786 41.9657 179.8268 103 Q 4.0584 8.3112 117.4995 58.6887 28.3019 178.3554 104 E 3.9187 8.2314 121.1442 59.3668 29.0789 178.7900 105 F 4.4933 8.6996 121.0079 61.5469 39.5307 177.0383 106 L 4.0261 8.2342 117.8310 57.0497 41.1200 179.3942 107 T 4.0701 7.4406 115.4182 65.3549 69.3842 174.2993 108 N 4.4620 7.7509 117.3861 50.9403 40.8969 172.5190 109 P 3.9606 0.0000 0.0000 65.3901 31.0452 178.2410 110 K 4.0237 8.0676 115.8694 59.0083 31.6968 178.9216 111 A 4.1902 7.8842 120.0575 54.5261 18.8648 179.0943 112 V 4.1106 7.9258 116.0175 63.9614 32.4351 175.8998 113 V 4.3499 8.2043 118.6202 60.1102 31.8548 173.8432 114 K 4.4517 7.8685 124.7874 56.9238 32.4845 177.7336 115 G 3.9373 8.9857 110.7158 45.9589 0.0000 173.4625 116 T 4.0734 8.0052 113.9238 62.4765 67.6578 174.0460 117 K 4.3147 8.6229 124.5446 56.6530 32.5819 176.5792 118 M 4.2712 8.0482 119.8287 55.0290 31.6736 176.2709 119 A 4.4892 8.3329 131.6966 50.5100 17.5486 174.8201 120 F 4.8580 7.7961 120.7970 55.7848 43.0048 174.6261 121 A 3.7451 7.5866 130.5361 54.8055 18.4274 176.6352 122 G 3.9779 5.5118 99.2131 43.5890 0.0000 173.7836 123 L 4.6300 8.5864 121.2950 51.8604 41.5265 175.1740 124 P 4.3534 0.0000 0.0000 64.5879 32.1260 177.5365 125 K 4.4150 7.9348 120.0384 55.6815 32.7777 177.4843 126 I 3.8336 8.9193 124.9178 64.1462 37.8928 177.8862 127 E 4.0204 8.2054 118.0564 59.2310 29.4406 178.7853 128 D 4.3547 8.0362 119.9070 57.2444 40.8370 178.6476 129 R 4.0066 8.1578 117.8304 59.5041 30.1199 178.8711 130 A 4.1772 8.4417 120.4499 55.2765 18.3490 179.4973 131 N 4.3146 8.7059 115.5614 56.2671 38.5366 177.4073 132 L 4.1103 8.3496 122.1235 58.3749 42.1196 179.1672 133 I 3.7658 8.2740 119.7514 64.2440 36.7830 178.3323 134 A 3.9971 8.1392 121.1639 55.2175 18.5163 178.7317 135 Y 4.1774 8.2504 118.1039 60.9139 38.8447 178.3112 136 L 3.6129 8.2930 120.1182 57.5409 41.4218 179.1178 137 E 4.0053 8.3217 118.3379 58.7196 29.4215 178.6016 138 G 3.9113 7.5968 102.8948 44.0023 0.0000 174.2651 139 Q 4.3754 7.5929 121.3497 54.2466 28.0737 175.9245 140 Q 4.2160 7.6422 119.6926 55.9623 28.9497 176.2608 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 4.30 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 2 G 8.83 3.80 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 0.00 0.00 0.00 3 H 8.39 4.96 0.00 3.11 3.24 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.47 4.19 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 0.00 0.00 0.00 5 A 8.38 4.16 1.25 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 0.00 0.00 0.00 6 E 8.61 4.65 0.00 1.91 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 2.20 2.50 0.00 7 G 7.91 3.84 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 0.00 0.00 0.00 8 E 8.40 4.60 0.00 1.88 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 2.22 2.36 0.00 9 E 8.82 4.34 0.00 2.01 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 1.95 1.80 0.00 10 H 8.46 4.70 0.00 3.30 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.58 4.01 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 *34 D 8.36 4.39 0.00 2.78 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 35 F 8.81 4.28 0.00 3.20 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 36 A 8.17 3.96 1.37 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 0.00 0.00 37 T 7.83 3.75 4.38 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 1.19 0.00 0.00 38 V 7.37 3.62 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 0.92 0.00 0.00 0.96 0.00 0.00 39 L 7.56 3.66 0.00 0.88 1.44 0.89 1.16 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 40 A 7.89 4.09 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 41 S 7.25 4.68 0.00 3.75 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 42 A 7.28 4.22 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 43 D 9.39 4.81 0.00 2.65 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 44 P 0.00 4.39 0.00 2.40 2.36 0.00 3.76 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 2.10 2.05 0.00 45 A 8.13 3.93 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 46 A 8.53 4.01 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 47 G 8.09 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 0.00 0.00 0.00 48 E 7.84 2.54 0.00 1.40 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 2.11 1.98 0.00 49 K 7.53 4.06 0.00 1.90 1.79 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.54 7.81 50 V 7.80 3.60 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 1.11 0.00 0.00 0.98 0.00 0.00 51 F 8.54 4.08 0.00 3.25 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 52 G 7.96 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 53 K 8.04 4.24 0.00 1.75 1.99 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 54 C 7.73 4.41 0.00 1.66 2.31 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 0.00 55 K 7.45 4.49 0.00 1.85 1.84 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.63 1.41 7.81 56 A 7.86 3.76 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 57 C 7.62 4.76 0.00 2.49 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 58 H 8.39 5.17 0.00 3.05 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.80 5.05 0.00 1.85 1.87 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.42 7.81 60 L 8.46 4.91 0.00 1.52 1.45 0.22 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.21 4.79 0.00 2.72 2.70 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 62 G 8.56 3.73 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 0.00 63 N 8.20 4.68 0.00 2.89 2.78 0.00 0.00 6.81 7.36 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 64 D 8.50 5.25 0.00 2.74 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 65 G 8.35 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 66 V 9.11 3.70 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 0.83 0.00 0.00 0.94 0.00 0.00 67 G 8.16 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 0.00 0.00 0.00 68 P 0.00 4.92 0.00 1.87 1.42 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 69 H 9.54 4.49 0.00 3.38 3.60 0.00 5.51 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.01 4.51 0.00 1.72 1.61 0.77 0.25 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 71 N 8.03 4.62 0.00 3.03 2.87 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.91 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 73 V 7.74 3.62 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 0.73 0.00 0.00 0.61 0.00 0.00 74 V 7.57 3.95 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 0.84 0.00 0.00 0.91 0.00 0.00 75 G 9.27 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.25 0.00 2.22 2.02 0.00 3.16 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 T 8.56 4.45 4.22 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 0.00 0.00 0.00 1.13 0.00 0.00 78 V 8.12 3.39 1.68 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 0.22 0.00 0.00 -0.23 0.00 0.00 79 A 8.25 2.00 0.79 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 0.00 0.00 80 G 7.76 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 81 V 8.18 3.86 2.31 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 1.15 0.00 0.00 0.91 0.00 0.00 82 D 8.74 4.66 0.00 2.76 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 83 G 9.02 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 84 F 7.78 4.10 0.00 2.93 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 85 N 6.91 4.43 0.00 2.39 2.33 0.00 0.00 7.18 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 86 Y 8.02 4.55 0.00 3.11 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 87 S 8.72 4.44 0.00 4.14 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 88 D 8.68 4.40 0.00 2.78 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 89 P 0.00 4.34 0.00 2.28 2.22 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 90 M 7.95 4.11 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.76 0.00 91 K 8.16 3.87 0.00 1.85 2.00 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 92 A 7.65 4.31 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 93 H 7.64 3.99 0.00 3.26 3.14 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.52 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 95 G 8.30 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 96 D 7.77 5.10 0.00 2.61 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 97 W 8.70 4.89 0.00 3.49 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 98 T 7.58 4.46 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 1.23 0.00 0.00 99 P 0.00 4.38 0.00 2.41 2.39 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 100 E 8.25 3.68 0.00 2.14 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 2.39 2.56 0.00 101 A 7.96 4.43 1.37 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 0.00 0.00 102 L 8.59 4.16 0.00 1.91 1.74 0.99 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.31 4.06 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 1.16 2.05 0.00 104 E 8.23 3.92 0.00 2.31 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 0.00 2.32 2.38 0.00 105 F 8.70 4.49 0.00 3.25 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 0.00 106 L 8.23 4.03 0.00 1.78 1.74 0.95 0.52 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 0.00 107 T 7.44 4.07 4.38 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 1.21 0.00 0.00 108 N 7.75 4.46 0.00 2.67 2.63 0.00 0.00 7.26 7.59 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 0.00 109 P 0.00 3.96 0.00 2.16 1.41 0.00 3.74 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 2.17 1.66 0.00 110 K 8.07 4.02 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.48 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.47 7.81 111 A 7.88 4.19 1.31 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 0.00 0.00 0.00 112 V 7.93 4.11 2.31 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 1.01 0.00 0.00 1.09 0.00 0.00 113 V 8.20 4.35 2.38 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 1.13 0.00 0.00 0.97 0.00 0.00 114 K 7.87 4.45 0.00 1.83 1.78 0.00 1.94 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.59 7.81 115 G 8.99 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 0.00 0.00 0.00 0.00 116 T 8.01 4.07 4.59 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 1.49 0.00 0.00 117 K 8.62 4.31 0.00 1.92 1.91 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 118 M 8.05 4.27 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 119 A 8.33 4.49 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 0.00 120 F 7.80 4.86 0.00 2.88 2.86 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 0.00 121 A 7.59 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 5.51 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.59 4.63 0.00 1.64 1.68 1.00 1.26 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 0.00 124 P 0.00 4.35 0.00 2.17 2.16 0.00 3.73 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 1.97 1.95 0.00 125 K 7.93 4.41 0.00 1.88 2.01 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.44 7.81 126 I 8.92 3.83 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.99 0.00 0.00 127 E 8.21 4.02 0.00 2.17 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 0.00 2.33 2.24 0.00 128 D 8.04 4.35 0.00 3.01 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 0.00 129 R 8.16 4.01 0.00 2.20 2.10 0.00 3.22 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 130 A 8.44 4.18 1.17 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 0.00 0.00 131 N 8.71 4.31 0.00 2.78 3.10 0.00 0.00 6.65 6.36 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 0.00 132 L 8.35 4.11 0.00 1.87 2.02 1.21 1.26 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 0.00 133 I 8.27 3.77 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.68 1.04 0.00 0.00 134 A 8.14 4.00 1.40 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 0.00 135 Y 8.25 4.18 0.00 3.23 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 0.00 136 L 8.29 3.61 0.00 1.66 1.57 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.32 4.01 0.00 2.08 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 2.35 2.58 0.00 138 G 7.60 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 0.00 139 Q 7.59 4.38 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 140 Q 7.64 4.22 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.