NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6066 8.3644 120.5304 54.5362 42.3757 174.1855 4 T 4.4343 7.9372 116.8430 60.0830 70.4219 172.5112 5 L 4.0912 9.3320 125.1872 57.4058 42.7900 179.5664 6 K 4.0742 7.9774 117.1518 58.9609 32.4102 178.0999 7 N 4.4204 8.0892 115.4564 55.2682 38.8487 175.0802 8 I 4.3080 7.4980 119.7148 59.3075 38.5145 174.9909 9 K 4.5955 8.5656 125.4433 55.7425 33.1527 177.9608 10 V 3.5440 8.9652 123.9618 66.1842 31.6407 178.1283 11 K 3.8791 8.0236 118.0151 59.7571 31.9670 178.0303 12 D 4.4720 8.2482 117.4734 56.3110 41.3732 176.9847 13 V 4.3538 7.2245 111.3492 60.4006 31.9847 176.0469 *15 T 4.0300 7.4142 115.9916 63.5029 69.9642 174.8347 16 K 4.6169 8.3476 125.0345 55.6165 34.5002 175.3303 17 N 4.2234 8.5719 113.8747 54.7149 35.8450 175.2542 18 V 3.8791 7.7240 110.3200 60.9012 32.5045 176.3212 19 I 4.1425 7.9734 116.7918 60.6793 38.6523 174.6485 20 T 4.9563 8.0555 110.7031 60.3192 72.4748 172.2047 21 A 4.9213 8.6542 121.3666 50.3581 22.6046 175.9220 22 K 4.9710 8.3208 120.0446 54.8804 34.1834 178.4169 23 R 3.9287 8.6139 117.9847 58.8487 29.6365 177.6121 24 H 4.7812 7.8882 113.5155 55.3416 29.6069 174.6883 25 E 4.0822 7.9171 122.4818 55.4791 30.1662 176.3504 26 G 3.9854 8.7024 112.3874 44.8031 0.0000 175.2022 27 V 3.6537 8.7063 124.7463 64.4453 31.4297 179.2523 28 V 3.7091 7.7176 118.8278 65.8286 31.5824 177.7413 29 E 4.0440 8.2140 116.7760 59.2749 29.3059 178.8064 30 A 4.0320 7.6940 121.2786 54.7649 18.5028 178.9544 31 F 4.4187 8.1216 118.3435 61.7747 39.8096 176.9816 32 E 3.9639 8.3595 118.0740 58.9017 29.2249 179.2031 33 K 3.6390 7.8253 117.8719 56.8459 32.1093 178.4577 *35 L 4.0845 7.9001 119.4344 54.0482 43.5735 179.1086 36 K 3.7162 7.7377 118.5332 59.2167 32.2007 176.8889 37 Y 4.7869 7.7855 113.8581 57.0873 38.0008 175.9480 38 K 4.1137 7.6427 118.0049 57.4071 30.1623 175.3823 39 I 4.5728 7.0721 108.3998 59.3584 39.8191 175.0938 40 S 4.9081 8.6905 113.4255 56.9738 65.3510 173.5558 41 S 5.0625 8.0312 113.9870 56.7222 66.2195 173.3471 42 L 4.6873 8.7533 123.1188 52.3417 43.5945 174.2607 43 P 4.6497 0.0000 0.0000 62.6338 32.8228 175.4696 44 V 4.8226 8.8706 124.8368 61.4391 33.0814 174.7291 45 I 5.1844 8.4914 121.0632 59.1520 40.8265 174.5913 46 D 4.7844 8.3110 122.4949 51.6672 41.0903 177.0871 47 D 4.4559 8.5868 118.3465 56.4470 40.5168 177.2632 48 E 4.4426 8.7283 118.8192 55.7866 29.8799 176.4737 49 N 4.5493 8.5970 116.3594 53.7926 38.5078 173.4800 50 K 4.5783 7.5174 117.6768 55.1380 32.8592 176.1783 51 V 4.1305 8.3473 126.2759 62.9330 31.4812 175.2679 52 I 4.3591 8.8717 120.7691 59.9682 38.6759 175.3183 53 G 4.0252 7.2108 109.4398 46.9886 0.0000 171.1486 54 I 5.2258 8.0566 118.9960 59.5117 41.3500 174.8035 55 V 4.7486 8.7116 120.6226 59.7433 35.3558 174.7621 56 T 5.0231 8.2741 112.9230 60.2754 71.3911 175.4201 57 T 4.0844 8.9321 120.3276 67.2199 68.5392 176.9166 58 T 4.0194 8.1158 117.2028 67.2236 68.5534 176.0775 59 D 4.4089 8.2333 120.2692 57.1922 40.8012 178.8796 60 I 3.9067 8.1973 120.6353 64.3714 37.1385 178.3060 61 G 3.4261 8.4829 106.7875 48.1534 0.0000 174.5797 62 Y 4.0353 8.0244 122.3101 60.6032 38.7363 178.2139 63 N 3.9720 7.9848 116.8867 55.6107 38.5021 177.5175 64 L 3.7012 7.7443 120.8569 57.8015 41.5977 179.3970 65 I 3.7123 7.5269 116.9696 63.0571 38.0309 176.5086 66 R 4.2061 7.0096 116.8488 55.4799 29.9835 175.7129 67 D 4.3634 7.9853 116.6343 55.4108 38.6950 174.7637 68 K 4.1996 8.1292 117.4028 57.2240 32.3784 176.7449 69 Y 5.0350 7.4028 116.6450 56.2957 41.0874 175.6737 70 T 4.4381 8.1997 114.0688 60.3402 71.2289 174.9229 71 L 4.0318 8.4630 121.9710 58.2754 42.0949 177.7801 72 E 4.3158 7.9609 114.9486 56.4667 29.9758 176.0869 73 T 4.1160 7.5565 117.1358 63.5210 68.3868 174.3664 74 T 4.7697 8.0829 116.9631 59.8526 70.9841 174.8840 75 I 3.7508 9.0450 124.1403 64.7120 37.2474 179.1383 76 G 3.6257 8.1412 108.0420 48.3529 0.0000 174.6337 77 D 4.4046 8.0072 119.4848 56.3827 40.8630 176.8098 78 V 4.1144 7.1654 112.4816 59.2498 31.4009 173.6526 *80 T 4.0694 7.8360 118.9218 63.2401 69.7370 174.5159 81 K 3.9985 8.6549 127.8073 59.1237 33.3213 177.3212 82 D 4.7110 7.6943 118.1817 53.3026 39.3478 176.9568 83 V 3.8132 7.3097 118.8935 61.2313 32.8406 176.5700 84 I 4.0919 8.2948 125.6049 60.7959 37.6532 175.0593 85 T 4.9419 8.3077 114.7197 59.7820 72.1315 172.8707 86 I 4.6569 8.2465 121.4730 59.2500 41.6961 173.8535 87 H 5.1258 8.7555 128.0914 55.6552 30.7050 175.9750 88 E 3.9204 8.6747 123.0571 59.4006 29.4620 178.6172 89 D 4.3566 7.2879 117.0139 55.6008 41.4774 176.2496 90 A 4.2614 7.8240 123.2427 51.6114 19.2977 176.8246 91 S 4.9927 8.1727 114.4509 57.5152 65.9511 175.2623 92 I 3.6877 8.1227 123.8796 64.4779 36.6815 178.5332 93 L 3.8976 7.6626 121.1284 58.3466 41.9696 178.7195 94 E 3.9189 7.9903 117.8598 59.5020 29.1429 179.1020 95 A 3.9646 7.7178 119.5694 55.2778 18.5498 179.0669 96 I 3.7970 8.0312 117.2064 64.7324 37.5805 178.3445 97 K 4.1505 8.2848 118.9833 59.1437 31.8065 181.1295 98 K 4.2744 7.8279 119.2569 56.2817 32.1975 177.0900 *100 D 4.6444 8.1698 118.7846 53.6667 42.9751 175.0109 101 I 4.0298 7.6148 112.7801 61.0983 38.1457 176.1511 *108 I 3.9041 7.5554 109.8539 61.6501 38.5549 175.7303 109 I 4.2917 7.4126 112.8737 60.4353 39.0644 175.8080 110 N 5.1039 8.5800 122.2890 54.4335 39.6465 174.7578 111 Q 5.0501 7.8582 116.1397 54.2896 33.3244 173.8898 112 L 4.8994 9.0309 122.9787 52.0864 44.8112 174.2608 113 P 4.8188 0.0000 0.0000 62.7720 33.0724 175.0840 114 V 4.9346 9.0999 122.9052 61.3325 34.1544 174.7885 115 V 5.0622 8.6406 120.1569 59.7721 35.8098 174.9342 116 D 5.2437 8.3595 122.5748 51.7484 41.8625 176.9270 117 K 3.8740 8.5829 118.5810 59.3738 32.1587 176.5664 118 N 4.9314 7.9668 114.1301 52.7400 39.1347 173.8671 119 N 4.2708 8.6020 113.5326 54.1504 36.9764 173.8956 120 K 4.5040 8.1015 117.9719 54.9514 33.1516 176.2619 121 L 4.4008 8.6573 126.2249 55.6162 42.1656 176.7002 122 V 4.1730 8.4980 119.8232 62.2347 33.9261 175.9688 123 G 4.0684 7.0803 104.2130 46.3822 0.0000 171.6084 124 I 5.1618 8.3455 120.5321 59.5757 41.0156 174.8563 125 I 4.5542 8.9393 127.8381 59.2108 40.2849 174.5152 126 S 5.1332 8.7129 123.1039 56.2693 66.1783 174.7007 127 D 4.5006 9.1245 121.3344 57.7214 40.4894 179.6423 128 G 3.7067 8.1099 105.3458 48.2181 0.0000 175.3117 129 D 4.3974 8.0222 121.2744 56.7296 40.6458 179.1201 130 I 3.6659 7.6844 120.0042 64.5036 37.2410 178.1052 131 I 3.6536 7.8671 120.8684 64.8904 36.7895 178.3525 132 R 3.9936 7.9871 117.6047 59.1786 30.0149 178.4044 133 T 4.0994 7.7546 115.8698 66.5063 68.5051 176.9335 134 I 3.6890 8.0484 122.0551 64.3656 36.8949 178.0673 135 S 4.0366 7.8904 112.9131 61.6656 62.2037 176.1763 136 K 4.1847 7.6496 117.8899 57.9902 31.7694 177.0425 137 I 4.2021 8.2599 126.1217 61.5252 38.2641 174.8044 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 3 D 8.36 4.61 0.00 2.66 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 4 T 7.94 4.43 4.24 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 1.28 0.00 0.00 5 L 9.33 4.09 0.00 1.74 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.98 4.07 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 7 N 8.09 4.42 0.00 2.99 2.88 0.00 0.00 6.99 6.79 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 8 I 7.50 4.31 1.87 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 1.49 0.78 0.90 0.00 0.00 9 K 8.57 4.60 0.00 1.98 1.70 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.41 7.81 10 V 8.97 3.54 2.18 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 0.94 0.00 0.00 0.97 0.00 0.00 11 K 8.02 3.88 0.00 1.77 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.55 7.81 12 D 8.25 4.47 0.00 2.77 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 13 V 7.22 4.35 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 0.71 0.00 0.00 0.92 0.00 0.00 *15 T 7.41 4.03 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 1.19 0.00 0.00 16 K 8.35 4.62 0.00 1.69 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.48 7.81 17 N 8.57 4.22 0.00 2.83 2.85 0.00 0.00 6.86 7.68 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 18 V 7.72 3.88 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 0.71 0.00 0.00 0.92 0.00 0.00 19 I 7.97 4.14 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.57 0.74 0.00 0.00 20 T 8.06 4.96 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 A 8.65 4.92 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 22 K 8.32 4.97 0.00 1.73 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.53 7.81 23 R 8.61 3.93 0.00 1.89 2.13 0.00 2.88 0.00 0.00 3.24 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 24 H 7.89 4.78 0.00 3.16 3.35 0.00 5.72 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 25 E 7.92 4.08 0.00 1.97 1.96 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 2.32 2.28 0.00 26 G 8.70 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 27 V 8.71 3.65 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 0.65 0.00 0.00 0.81 0.00 0.00 28 V 7.72 3.71 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 1.16 0.00 0.00 0.99 0.00 0.00 29 E 8.21 4.04 0.00 2.25 2.21 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 2.50 2.39 0.00 30 A 7.69 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.12 4.42 0.00 3.10 3.38 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 0.00 32 E 8.36 3.96 0.00 2.21 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 2.36 2.64 0.00 33 K 7.83 3.64 0.00 1.94 1.93 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.39 7.81 *35 L 7.90 4.08 0.00 1.48 1.53 0.27 0.31 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 36 K 7.74 3.72 0.00 1.55 1.39 0.00 1.61 0.00 0.00 1.44 0.00 0.00 2.58 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.84 1.20 7.81 37 Y 7.79 4.79 0.00 3.08 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 38 K 7.64 4.11 0.00 1.91 1.91 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 39 I 7.07 4.57 1.91 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 1.42 0.67 1.02 0.00 0.00 40 S 8.69 4.91 0.00 3.90 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 41 S 8.03 5.06 0.00 3.99 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 42 L 8.75 4.69 0.00 1.69 1.66 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.65 0.00 2.08 1.98 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 44 V 8.87 4.82 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 1.09 0.00 0.00 0.94 0.00 0.00 45 I 8.49 5.18 1.87 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 1.29 0.86 0.91 0.00 0.00 46 D 8.31 4.78 0.00 2.96 2.84 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 47 D 8.59 4.46 0.00 2.69 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 48 E 8.73 4.44 0.00 2.10 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 2.23 2.21 0.00 49 N 8.60 4.55 0.00 2.97 2.90 0.00 0.00 6.87 8.00 0.00 0.00 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 K 7.52 4.58 0.00 1.80 2.09 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.33 7.81 51 V 8.35 4.13 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 0.88 0.00 0.00 0.93 0.00 0.00 52 I 8.87 4.36 1.86 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 1.28 0.81 0.91 0.00 0.00 53 G 7.21 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 54 I 8.06 5.23 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 1.25 1.02 0.92 0.00 0.00 55 V 8.71 4.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.04 0.00 0.00 56 T 8.27 5.02 4.39 0.00 0.00 0.00 0.00 0.00 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 57 T 8.93 4.08 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 1.35 0.00 0.00 58 T 8.12 4.02 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 1.21 0.00 0.00 59 D 8.23 4.41 0.00 2.76 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 60 I 8.20 3.91 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.14 0.98 0.00 0.00 61 G 8.48 3.43 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 0.00 62 Y 8.02 4.04 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.98 3.97 0.00 2.27 1.42 0.00 0.00 7.06 6.71 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 64 L 7.74 3.70 0.00 1.43 1.48 0.38 0.60 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 65 I 7.53 3.71 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 1.25 0.54 0.79 0.00 0.00 66 R 7.01 4.21 0.00 1.63 1.60 0.00 2.21 0.00 0.00 2.78 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 0.00 67 D 7.99 4.36 0.00 2.71 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 68 K 8.13 4.20 0.00 1.33 1.64 0.00 1.48 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.31 7.81 69 Y 7.40 5.03 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 70 T 8.20 4.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 71 L 8.46 4.03 0.00 1.62 1.75 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 E 7.96 4.32 0.00 1.99 1.96 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 2.27 2.32 0.00 73 T 7.56 4.12 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 0.67 0.00 0.00 74 T 8.08 4.77 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 1.25 0.00 0.00 75 I 9.04 3.75 1.97 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 1.40 1.25 0.90 0.00 0.00 76 G 8.14 3.63 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 0.00 0.00 0.00 77 D 8.01 4.40 0.00 2.72 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 78 V 7.17 4.11 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 0.19 0.00 0.00 0.86 0.00 0.00 *80 T 7.84 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 1.22 0.00 0.00 81 K 8.65 4.00 0.00 1.69 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.51 7.81 82 D 7.69 4.71 0.00 2.71 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 83 V 7.31 3.81 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 0.78 0.00 0.00 0.94 0.00 0.00 84 I 8.29 4.09 1.87 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 1.47 0.83 0.91 0.00 0.00 85 T 8.31 4.94 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 1.22 0.00 0.00 86 I 8.25 4.66 1.88 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 1.12 1.48 0.91 0.00 0.00 87 H 8.76 5.13 0.00 3.29 3.16 0.00 5.93 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.67 3.92 0.00 2.16 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 2.35 2.13 0.00 89 D 7.29 4.36 0.00 2.66 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 90 A 7.82 4.26 1.42 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 0.00 0.00 91 S 8.17 4.99 0.00 4.23 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 92 I 8.12 3.69 1.98 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 1.60 0.83 0.91 0.00 0.00 93 L 7.66 3.90 0.00 1.82 1.66 0.92 0.94 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 94 E 7.99 3.92 0.00 2.23 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 2.34 2.35 0.00 95 A 7.72 3.96 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 96 I 8.03 3.80 2.04 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 1.52 0.57 0.91 0.00 0.00 97 K 8.28 4.15 0.00 1.78 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 98 K 7.83 4.27 0.00 1.99 1.80 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 *100 D 8.17 4.64 0.00 2.68 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 0.00 101 I 7.61 4.03 1.87 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 1.35 0.58 0.98 0.00 0.00 *108 I 7.56 3.90 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.59 0.90 0.00 0.00 109 I 7.41 4.29 1.87 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 1.41 0.66 0.91 0.00 0.00 110 N 8.58 5.10 0.00 2.68 2.90 0.00 0.00 7.38 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 0.00 111 Q 7.86 5.05 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 112 L 9.03 4.90 0.00 1.51 1.54 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.82 0.00 2.19 2.18 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 114 V 9.10 4.93 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 0.85 0.00 0.00 0.93 0.00 0.00 115 V 8.64 5.06 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 0.87 0.00 0.00 1.02 0.00 0.00 116 D 8.36 5.24 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.58 3.87 0.00 1.77 1.91 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.37 7.81 118 N 7.97 4.93 0.00 2.70 2.75 0.00 0.00 6.93 8.00 0.00 0.00 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 8.60 4.27 0.00 2.89 2.89 0.00 0.00 7.03 7.26 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 0.00 120 K 8.10 4.50 0.00 1.93 1.72 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.51 7.81 121 L 8.66 4.40 0.00 1.57 1.75 0.92 1.13 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 0.00 122 V 8.50 4.17 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 0.71 0.00 0.00 1.03 0.00 0.00 123 G 7.08 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 0.00 0.00 0.00 124 I 8.35 5.16 1.87 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 1.12 0.71 0.95 0.00 0.00 125 I 8.94 4.55 1.87 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 1.28 1.20 0.91 0.00 0.00 126 S 8.71 5.13 0.00 3.94 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 0.00 127 D 9.12 4.50 0.00 2.69 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 0.00 128 G 8.11 3.71 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 0.00 0.00 0.00 129 D 8.02 4.40 0.00 2.84 2.84 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 0.00 130 I 7.68 3.67 1.99 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 1.52 0.92 0.91 0.00 0.00 131 I 7.87 3.65 2.01 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 1.69 1.19 0.91 0.00 0.00 132 R 7.99 3.99 0.00 1.93 2.13 0.00 3.25 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 133 T 7.75 4.10 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 134 I 8.05 3.69 1.87 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 1.41 0.94 0.91 0.00 0.00 135 S 7.89 4.04 0.00 4.04 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 0.00 136 K 7.65 4.18 0.00 1.93 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.47 1.53 7.81 137 I 8.26 4.20 1.87 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 1.16 0.46 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.