NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0839 8.2133 109.7450 45.2621 0.0000 175.6361 3 N 4.4323 7.9594 120.8649 54.4074 38.4606 175.7152 4 I 3.6843 8.4076 122.7387 64.2307 37.5654 177.7833 5 F 4.3511 7.8902 118.4106 60.6444 38.5142 177.6992 6 S 3.9182 7.9907 113.5204 61.5911 62.5287 176.7646 7 S 4.6836 8.2480 119.6468 60.9451 62.7731 176.3563 8 M 4.1535 8.0036 121.5762 58.4263 31.7887 178.6360 9 F 4.5208 8.2871 116.9973 59.6526 38.9852 176.9098 10 D 4.8466 8.2241 118.5648 56.0906 40.4777 177.7379 11 K 4.3623 8.0391 118.1571 57.6176 32.3722 177.7623 12 L 4.5965 7.8400 119.2508 53.1351 42.0272 175.6812 13 W 4.2784 7.5384 130.2300 57.6645 31.1578 175.2776 14 G 3.6633 8.1889 114.2028 45.6268 0.0000 174.5666 15 S 4.0527 7.5827 114.4405 58.6877 63.0400 174.8735 16 N 4.5309 8.7410 121.8272 54.2630 37.3125 175.5071 17 K 4.5482 7.5310 119.4083 52.9451 35.9932 180.3848 18 E 4.1739 8.7972 122.3988 56.7956 29.9537 176.7501 19 L 4.6912 8.5593 123.2556 53.5650 44.2323 175.5189 20 R 5.1330 8.4217 121.0980 54.6905 33.5504 174.1619 21 I 5.0595 9.1624 125.9006 59.5072 41.2390 174.1181 22 L 4.8149 8.5883 126.3694 53.0557 44.2946 175.4980 23 I 4.5819 8.5848 125.8919 60.0168 38.4837 174.8586 24 L 4.8015 9.9685 126.9142 52.1176 46.4038 176.0285 25 G 4.3808 8.2951 106.5392 43.6707 0.0000 172.4735 26 L 4.6736 7.9951 119.6933 53.6886 42.1448 177.2053 27 D 5.3048 7.8594 120.6297 54.2484 39.4532 176.9154 28 G 3.9802 8.8283 107.7364 45.7905 0.0000 175.6288 29 A 3.5598 7.3518 121.5717 53.9186 18.7220 178.4080 30 G 4.0784 7.7315 104.4625 45.7785 0.0000 176.0240 31 K 3.8633 8.2856 120.0567 59.5084 31.9784 178.7508 32 T 3.9347 7.9322 115.3293 67.2462 68.3001 175.9859 33 T 3.8440 7.9533 116.6711 67.0721 67.9532 176.0300 34 I 3.5880 7.5583 120.8698 64.4031 36.9265 178.1402 35 L 3.8941 7.6478 119.5941 58.5852 41.8927 178.5520 36 Y 3.9592 8.5809 116.2919 60.3307 37.5227 178.0587 37 R 3.9973 7.9526 119.8351 59.3321 30.1867 177.3797 38 L 3.3078 7.2049 117.0164 56.2248 41.9183 177.4466 39 Q 3.4590 7.5440 114.3184 56.8412 26.6745 172.8382 40 I 4.6393 7.2317 107.8522 59.0204 41.4793 176.1156 41 G 3.7755 8.7150 110.0650 47.2848 0.0000 172.4405 42 E 4.8179 7.9466 114.8553 54.7332 33.6575 171.6736 43 V 4.9316 8.2243 115.0975 59.4243 34.4532 175.7265 44 V 4.5168 8.6261 117.1936 60.0259 35.8628 174.5485 45 T 5.0752 8.6190 121.8581 62.8773 69.7547 174.2743 46 T 4.6505 9.1410 117.6128 60.4367 72.6901 173.6960 47 K 5.2135 8.5397 125.6012 51.5931 30.8996 174.2112 48 P 4.3415 0.0000 0.0000 65.7016 31.4328 177.5662 49 T 4.6096 7.7942 113.2174 60.6294 71.1582 173.4635 50 I 4.0412 8.1997 121.9350 61.7181 38.8926 175.2098 51 G 4.0672 8.6237 112.4705 45.6834 0.0000 174.1345 52 F 4.9433 7.7374 119.0563 57.1724 42.2044 171.7495 53 N 5.2056 8.6470 125.4064 51.4020 41.2778 173.8190 54 V 4.4254 8.3740 124.4120 60.9802 34.2435 173.7560 55 E 4.8183 8.9524 128.9018 54.9077 31.6167 174.3801 56 T 4.9977 8.7001 123.7336 61.6662 71.7932 172.6490 57 L 4.8592 9.1211 129.3792 53.4307 43.9332 174.7607 58 S 5.0953 9.0574 122.1590 56.8093 64.3326 171.9304 59 Y 4.5612 8.4322 131.2227 57.9744 41.3789 177.5935 60 K 4.6095 7.5956 125.5535 54.7828 28.0630 170.5475 61 N 4.7567 8.6879 121.4361 52.4615 38.5240 173.3040 62 L 5.4192 8.9667 117.2650 53.5587 46.2775 175.4967 63 K 5.0422 8.9833 119.8298 54.7135 36.0312 175.1818 64 L 5.1073 9.2514 125.2354 52.9703 44.4355 175.1090 65 N 5.3034 9.0649 121.6876 51.2885 41.8822 173.7406 66 V 5.0246 8.9827 123.2193 59.6075 34.4798 174.2116 67 W 5.5468 7.8519 123.5857 54.9051 31.3831 174.3557 68 D 4.8637 9.0597 121.4405 54.5194 41.9463 175.0414 69 L 4.9598 8.7460 121.9100 54.2567 44.1644 176.5915 70 G 4.3173 9.2314 113.6355 47.3777 0.0000 174.6256 *75 I 3.3282 7.1301 121.5473 58.9042 37.4766 177.4271 76 R 3.3606 6.3608 122.8291 56.1463 30.0277 174.8956 77 P 4.2129 0.0000 0.0000 66.0269 30.5530 178.1373 *78 Y 3.9217 7.1579 120.3054 61.4585 36.6296 183.6019 79 W 4.1957 7.8067 121.3850 60.8051 29.3577 179.4320 80 R 2.5100 7.3704 119.3446 61.2143 28.4684 179.7825 81 C 4.1871 7.0490 115.5606 62.5465 31.6881 174.3082 82 Y 4.6260 8.3544 118.3764 59.4908 38.3806 177.2550 83 Y 4.5893 7.3806 116.6499 60.9491 37.6120 177.5995 84 A 4.1185 7.6004 122.3603 55.2074 18.5603 177.7148 85 D 4.7124 7.9750 111.5835 53.3182 40.2852 176.3981 86 T 4.3119 7.5638 116.6754 64.5849 68.9060 173.7414 87 A 4.5676 9.3155 128.6402 52.8504 20.8547 176.1872 88 A 4.8628 7.2680 115.2391 51.5961 22.6764 175.4842 89 V 4.8112 8.4657 118.8099 59.9948 34.9499 174.8217 90 I 4.4510 9.1540 125.3464 59.8645 38.9975 174.6704 91 F 5.0519 9.3514 132.0523 56.8824 40.5850 174.6669 92 V 4.2873 8.2019 128.1816 61.7820 32.9191 174.7059 93 V 4.1226 8.3302 128.0186 60.7701 34.2592 173.8414 94 D 4.6463 8.6822 128.0128 54.1850 41.1960 176.0896 95 S 4.4598 9.3124 123.4269 59.4200 63.8366 175.2522 96 T 4.9854 8.8694 112.1357 60.4966 69.0977 175.5831 97 D 4.7273 7.6175 121.1160 53.6931 42.1838 175.7722 98 K 4.0948 7.9989 126.1233 59.9779 32.5407 178.0317 99 D 4.5922 8.3856 118.3201 56.9356 40.4952 177.8222 100 R 4.0524 8.5966 122.4137 59.0108 30.7500 178.2767 101 M 4.0047 7.9359 121.2627 59.6417 32.1412 179.0838 102 S 4.1308 8.0133 117.8471 63.6388 62.5789 178.4033 103 T 4.0836 8.0696 119.1576 66.6077 68.1611 175.7378 104 A 4.1558 8.3386 122.5536 55.8242 17.8763 179.3243 105 S 4.1187 8.1013 110.7668 62.2827 62.2871 175.8793 106 K 4.0778 8.1634 121.9725 58.5742 31.9233 178.2633 107 E 4.0081 8.8061 118.5991 59.7778 29.6623 179.7506 108 L 3.3473 8.3105 120.4174 58.3460 41.8564 178.8271 109 H 4.1501 8.0621 114.9320 58.3522 28.8320 177.5041 110 L 4.1324 7.8823 120.5286 58.3165 41.4864 178.4458 111 M 4.0139 8.0903 120.1773 59.6975 31.9163 178.4146 112 L 4.1623 8.2693 123.6018 58.6001 41.1954 180.7920 113 Q 4.5511 7.7457 119.0309 57.4999 29.4853 180.9317 114 E 4.2796 7.9311 123.1139 57.4410 30.6854 178.2345 115 E 4.1559 8.8266 121.0390 59.0520 30.0871 178.5409 116 E 4.2299 8.2203 117.3071 58.5362 29.7532 177.3462 117 L 4.5461 7.6203 120.0082 55.1774 41.7722 178.8706 118 Q 4.0236 7.7746 120.0549 57.7951 27.8801 181.2213 119 D 4.8169 7.8852 114.2150 53.7200 42.2576 176.3893 120 A 4.3549 7.4640 121.1266 52.6710 18.8421 177.4142 121 A 4.5977 8.6467 123.0539 51.2716 20.9048 176.0222 122 L 5.2777 9.8480 122.5712 53.1671 45.5668 175.0684 123 L 5.1480 8.8264 127.3512 53.4272 45.1044 174.8824 124 V 4.7882 8.9167 127.1807 61.4095 34.0766 174.5828 125 F 5.4730 9.3261 126.9526 55.8570 40.4754 174.8330 126 A 4.9155 9.0608 127.9058 51.9364 16.6930 176.0714 127 N 5.4223 8.9257 120.4870 52.6995 41.4875 174.9780 128 K 4.2012 8.5972 118.9321 57.2555 29.0014 178.4243 129 Q 4.2831 8.1673 118.9586 58.2233 28.6766 177.5120 130 D 4.5078 7.8749 116.3857 55.1292 40.1502 176.9221 131 Q 4.2282 8.0490 119.0872 54.4667 29.4150 174.0117 132 P 4.1740 0.0000 0.0000 63.7868 32.1130 176.7034 133 G 3.5305 8.8077 111.9140 46.5092 0.0000 173.6177 134 A 4.8938 7.5582 118.5766 49.5733 21.1964 177.9574 135 L 4.5401 8.8183 123.0632 54.7178 42.7249 177.8880 136 S 4.3355 9.0680 116.6231 58.2969 64.3036 175.0843 137 A 3.9675 8.8118 121.4696 55.6310 17.6773 179.7525 138 S 4.0598 8.1658 110.7837 61.7189 62.2301 176.2010 139 E 4.0276 8.5252 121.7036 59.1180 29.2097 179.3195 140 V 3.7138 7.6619 117.9791 65.6979 31.5324 177.9733 141 S 4.2773 8.5912 115.4372 61.3647 62.0972 176.9957 142 K 4.0916 7.7172 125.8053 59.5870 31.6662 183.5435 143 E 4.3388 7.9901 117.9704 57.9314 29.4205 178.2375 144 L 4.6171 7.4786 118.1139 52.5766 42.9711 176.2699 145 N 4.2064 7.9808 115.5948 53.9635 36.7951 176.0138 146 L 3.4952 7.2063 120.4950 57.0901 41.8883 180.0112 147 V 3.5216 7.5283 120.1233 66.2814 31.6662 177.6804 148 E 4.0257 8.4995 117.5294 58.6766 29.7814 180.0122 149 L 4.0160 7.0379 119.9493 55.3013 41.2188 181.8324 150 K 4.6694 8.0765 126.2982 53.1735 36.2110 173.1334 151 D 4.4850 8.5464 116.0352 53.0123 36.5135 174.8011 152 R 4.3654 7.1469 115.9267 55.7097 33.3125 173.8800 153 S 4.7797 8.4059 121.7770 58.0236 63.3865 172.9558 154 W 6.2954 8.2550 120.8088 53.8522 31.7852 174.2843 155 S 3.5023 7.8945 110.9484 57.2481 64.5373 174.2068 156 I 4.9652 7.8929 124.7458 59.4111 41.2310 174.6466 157 V 4.5559 8.4771 125.2906 61.2861 35.4381 173.7668 158 A 4.7988 8.7858 129.6476 52.3468 19.8054 176.2038 159 S 4.8182 9.0704 114.4902 57.5816 67.0336 173.5858 160 S 5.0777 9.0407 116.8161 55.9561 62.6150 174.2749 161 A 3.7720 8.2258 127.1465 55.2572 18.7626 179.8708 162 I 3.6362 8.0554 116.3206 64.8331 37.7231 177.1212 163 K 4.2811 8.0353 117.2996 53.7662 30.8668 178.4738 164 G 3.9955 8.9234 107.8259 47.2496 0.0000 173.2984 165 E 4.2752 8.1118 120.6235 57.0093 30.0207 176.4568 166 G 4.1433 9.2371 111.1674 47.2264 0.0000 175.1633 167 I 3.6362 7.2270 120.7913 64.9425 37.0102 178.5403 168 T 4.1683 7.7099 114.9734 66.7233 68.1907 176.7157 169 E 4.1300 8.3860 120.2145 59.3748 29.5301 179.5989 170 G 3.7086 8.7819 105.9658 48.0215 0.0000 175.6629 171 L 4.0899 8.3782 122.4750 57.2702 41.7520 178.8791 172 D 4.2619 8.4937 118.2962 57.3647 41.1165 178.0169 173 W 4.1242 7.9862 128.2886 60.6294 30.5833 177.1246 174 L 3.0735 8.2474 119.7104 58.3169 41.4933 178.8173 175 I 3.6068 8.0997 119.5048 64.7561 37.1378 178.0500 176 D 4.2416 7.6862 118.8181 57.2066 40.5282 179.0052 177 V 3.2674 7.0256 118.4676 65.9089 31.4569 177.8683 178 I 3.5763 7.6686 119.7546 64.3268 36.7711 177.9283 179 K 3.7748 8.1202 119.0087 59.7540 32.2512 177.5798 180 E 3.9691 8.4728 119.4984 59.7603 29.2685 178.4212 181 E 3.8785 8.1861 118.2010 59.5444 29.6336 178.4558 182 Q 4.0941 7.8748 118.6334 58.5054 29.1791 175.6253 183 L 4.1464 7.7607 123.9468 54.9827 41.6227 176.6464 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 2 G 8.21 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 3 N 7.96 4.43 0.00 2.87 2.88 0.00 0.00 7.63 6.62 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 4 I 8.41 3.68 1.54 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 0.71 0.00 0.00 5 F 7.89 4.35 0.00 3.32 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 6 S 7.99 3.92 0.00 4.05 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 7 S 8.25 4.68 0.00 3.97 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 8 M 8.00 4.15 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.49 0.00 9 F 8.29 4.52 0.00 2.98 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 10 D 8.22 4.85 0.00 3.01 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 11 K 8.04 4.36 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.63 7.81 12 L 7.84 4.60 0.00 2.03 1.78 1.10 0.90 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 13 W 7.54 4.28 0.00 3.45 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 14 G 8.19 3.66 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 0.00 0.00 0.00 15 S 7.58 4.05 0.00 4.00 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 16 N 8.74 4.53 0.00 2.78 2.91 0.00 0.00 5.80 7.13 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 17 K 7.53 4.55 0.00 1.76 1.55 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.28 7.81 18 E 8.80 4.17 0.00 1.86 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 2.30 2.37 0.00 19 L 8.56 4.69 0.00 1.68 1.61 0.95 0.50 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 20 R 8.42 5.13 0.00 1.94 1.87 0.00 3.62 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 21 I 9.16 5.06 1.87 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 1.28 0.73 0.99 0.00 0.00 22 L 8.59 4.81 0.00 1.45 1.10 1.20 0.73 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 23 I 8.58 4.58 1.75 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 1.22 1.02 0.88 0.00 0.00 24 L 9.97 4.80 0.00 1.55 1.38 0.63 -1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.30 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 0.00 0.00 0.00 0.00 26 L 8.00 4.67 0.00 1.74 1.62 1.09 1.26 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 27 D 7.86 5.30 0.00 2.80 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 28 G 8.83 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 29 A 7.35 3.56 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 30 G 7.73 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 31 K 8.29 3.86 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 32 T 7.93 3.93 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 1.18 0.00 0.00 33 T 7.95 3.84 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 1.16 0.00 0.00 34 I 7.56 3.59 2.00 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 1.21 1.17 0.90 0.00 0.00 35 L 7.65 3.89 0.00 1.64 1.96 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.58 3.96 0.00 3.02 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 37 R 7.95 4.00 0.00 1.89 2.09 0.00 3.39 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 38 L 7.20 3.31 0.00 1.61 1.50 0.77 0.11 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 39 Q 7.54 3.46 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 40 I 7.23 4.64 1.63 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.46 0.94 0.00 0.00 41 G 8.71 3.78 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 0.00 0.00 0.00 42 E 7.95 4.82 0.00 1.63 1.77 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 2.12 2.11 0.00 43 V 8.22 4.93 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 0.57 0.00 0.00 0.62 0.00 0.00 44 V 8.63 4.52 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 0.82 0.00 0.00 0.93 0.00 0.00 45 T 8.62 5.08 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 1.21 0.00 0.00 46 T 9.14 4.65 4.26 0.00 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0.00 125 F 9.33 5.47 0.00 2.98 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 0.00 126 A 9.06 4.92 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 0.00 127 N 8.93 5.42 0.00 2.92 2.74 0.00 0.00 7.14 7.14 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 0.00 128 K 8.60 4.20 0.00 2.03 1.93 0.00 2.05 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 129 Q 8.17 4.28 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.11 0.00 0.00 0.00 0.00 0.00 2.65 2.31 0.00 130 D 7.87 4.51 0.00 2.75 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 0.00 131 Q 8.05 4.23 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 132 P 0.00 4.17 0.00 2.03 2.00 0.00 3.75 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 2.02 2.07 0.00 133 G 8.81 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.56 4.89 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 0.00 135 L 8.82 4.54 0.00 1.54 1.66 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 136 S 9.07 4.34 0.00 3.90 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 0.00 137 A 8.81 3.97 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 0.00 138 S 8.17 4.06 0.00 3.91 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 0.00 139 E 8.53 4.03 0.00 2.32 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 2.32 0.00 140 V 7.66 3.71 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 1.06 0.00 0.00 1.03 0.00 0.00 141 S 8.59 4.28 0.00 4.08 4.09 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 0.00 0.00 0.00 142 K 7.72 4.09 0.00 1.82 1.78 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.34 7.81 143 E 7.99 4.34 0.00 1.99 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 2.36 2.58 0.00 144 L 7.48 4.62 0.00 1.59 1.65 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 145 N 7.98 4.21 0.00 2.94 2.80 0.00 0.00 6.88 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 0.00 146 L 7.21 3.50 0.00 0.99 0.13 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.53 3.52 2.04 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 0.80 0.00 0.00 0.95 0.00 0.00 148 E 8.50 4.03 0.00 1.98 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 2.26 2.13 0.00 149 L 7.04 4.02 0.00 1.80 1.50 0.92 0.69 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 0.00 150 K 8.08 4.67 0.00 1.71 1.54 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 0.96 7.81 151 D 8.55 4.48 0.00 2.83 2.58 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 0.00 152 R 7.15 4.37 0.00 1.75 1.84 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 153 S 8.41 4.78 0.00 3.90 3.95 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 0.00 154 W 8.26 6.30 0.00 3.43 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 0.00 155 S 7.89 3.50 0.00 2.72 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 0.00 156 I 7.89 4.97 2.07 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 1.28 1.33 0.95 0.00 0.00 157 V 8.48 4.56 2.19 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 1.10 0.00 0.00 0.82 0.00 0.00 158 A 8.79 4.80 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 0.00 159 S 9.07 4.82 0.00 3.61 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 0.00 160 S 9.04 5.08 0.00 3.66 3.95 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 0.00 161 A 8.23 3.77 1.22 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 0.00 0.00 0.00 162 I 8.06 3.64 1.83 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 0.82 0.92 0.00 0.00 163 K 8.04 4.28 0.00 1.81 1.67 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 0.99 7.81 164 G 8.92 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 0.00 165 E 8.11 4.28 0.00 2.03 1.88 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 2.31 2.39 0.00 166 G 9.24 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 0.00 0.00 0.00 167 I 7.23 3.64 1.97 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.93 0.00 0.00 168 T 7.71 4.17 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 1.15 0.00 0.00 169 E 8.39 4.13 0.00 2.28 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 0.00 2.43 2.48 0.00 170 G 8.78 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 0.00 171 L 8.38 4.09 0.00 1.81 1.67 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 172 D 8.49 4.26 0.00 2.91 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 0.00 173 W 7.99 4.12 0.00 3.37 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 0.00 174 L 8.25 3.07 0.00 1.96 1.85 0.80 0.96 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 0.00 175 I 8.10 3.61 1.91 0.00 0.00 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 1.41 0.34 0.89 0.00 0.00 176 D 7.69 4.24 0.00 2.67 2.58 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 0.00 177 V 7.03 3.27 1.55 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 0.87 0.00 0.00 -0.29 0.00 0.00 178 I 7.67 3.58 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 1.36 0.72 0.92 0.00 0.00 179 K 8.12 3.77 0.00 1.74 1.97 0.00 1.83 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.47 7.81 180 E 8.47 3.97 0.00 2.09 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 0.00 2.27 2.35 0.00 181 E 8.19 3.88 0.00 1.92 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 0.00 2.32 2.37 0.00 182 Q 7.87 4.09 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 183 L 7.76 4.15 0.00 1.87 1.56 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.