NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.6463 8.3049 118.7958 55.1784 33.9880 175.0167 1 M 4.0402 8.3711 118.6033 57.0599 36.8687 175.7209 2 D 4.2792 8.5014 129.6533 53.9213 40.9691 176.4459 3 A 3.9682 8.7542 130.4097 55.2612 18.4280 178.8000 4 R 3.9135 8.2293 116.8416 59.0187 30.1299 178.9462 5 I 3.7934 8.0848 120.3551 64.3360 37.2015 178.1223 6 V 3.5998 7.8000 118.4836 66.3924 31.3333 177.5018 7 N 4.3546 8.3144 115.7278 56.3682 38.4499 177.0545 8 A 4.1660 7.7436 120.3366 54.2632 18.2799 179.8037 9 L 3.9782 7.6530 117.5668 58.1936 41.8418 179.6111 10 I 3.7955 8.3920 120.2586 64.0902 37.1018 178.7238 11 G 3.7421 8.3457 106.8788 47.2996 0.0000 176.1017 12 S 4.1684 7.9885 116.3817 61.4482 63.1659 176.7888 13 V 3.4321 7.3609 121.9009 65.5196 31.2991 177.1525 14 Y 3.9150 8.0198 119.1822 61.0052 38.7050 178.1786 15 E 3.7396 8.3759 119.1986 59.4156 29.4733 179.6909 16 T 3.8188 7.9404 115.9718 66.6677 68.6840 176.8116 17 I 3.5016 7.5755 121.7518 64.2444 36.5338 178.5584 18 R 4.0421 7.4621 120.7857 58.8773 29.6569 178.3384 19 D 4.3205 7.7597 117.5500 56.9204 40.9818 178.6801 20 V 3.7766 8.0387 117.8685 65.8329 30.5785 177.7897 21 L 4.2927 7.7992 116.8832 54.7747 41.3388 178.3528 22 G 3.9167 7.9319 106.2601 46.6065 0.0000 172.9542 23 I 4.4650 6.8008 110.7413 58.5076 40.6495 174.2886 24 E 4.3545 8.3634 120.9720 54.4865 29.3278 174.6481 25 P 4.5539 0.0000 0.0000 62.3814 33.2356 176.4293 26 K 4.4273 8.8054 124.2002 54.6457 32.4721 173.8038 27 T 3.9043 8.3571 114.6480 61.2275 68.7127 174.5107 28 G 3.9450 8.3179 116.0325 45.8913 0.0000 170.5607 29 K 4.1710 8.4764 121.1622 55.3484 32.4735 175.1416 30 P 4.6337 0.0000 0.0000 63.5313 32.4016 175.2753 31 S 4.4918 8.4230 111.5093 58.1058 66.4620 174.7554 32 T 4.8963 8.6730 123.4128 62.4763 68.6458 174.5337 33 V 4.3089 7.8964 119.4124 59.9075 32.8285 177.1861 34 S 4.3193 8.6011 117.5611 61.1749 64.0387 173.9343 35 H 4.4736 7.4417 117.0909 54.7192 29.9613 172.9121 36 I 4.4559 8.2841 120.4397 60.1146 39.8063 175.5086 37 E 4.3166 8.5506 126.9175 54.8714 28.0933 173.7457 38 I 4.0005 7.6707 120.8684 60.1515 37.5710 174.4410 39 P 4.8429 0.0000 0.0000 62.7654 31.6563 174.8155 40 H 5.1537 7.8552 113.6207 54.3793 32.3079 174.2470 41 S 4.7667 8.3458 114.0842 57.7636 65.3214 173.9595 42 L 4.9784 7.8073 119.9517 52.7763 45.0874 175.9978 43 V 4.5856 8.7237 116.8323 59.6090 35.9131 174.7207 44 T 4.6837 8.1581 120.5569 61.6460 71.4368 172.9820 45 V 4.5008 8.6966 127.2100 61.0623 34.2040 174.3898 46 I 4.7285 8.6346 128.3644 59.3248 40.0312 175.2427 47 G 4.1125 8.6307 114.8391 46.0264 0.0000 171.3623 48 I 5.3657 9.1330 122.8619 59.5306 41.2991 174.8138 49 T 4.7785 8.6251 115.7035 59.4004 72.8500 175.1822 50 G 3.9360 9.0675 112.7842 45.4285 0.0000 175.0784 51 G 3.6922 8.0306 112.1163 47.5856 0.0000 172.7155 52 I 4.3559 7.3122 114.8743 58.5291 39.8742 174.9372 53 E 4.9346 9.7483 121.3554 53.2897 33.1104 175.5343 54 G 4.1752 7.2148 111.3670 45.7349 0.0000 171.1327 55 S 5.0542 7.9954 116.5629 56.9463 67.2896 173.4569 56 L 4.9359 9.2673 124.3539 53.7104 43.7840 175.0993 57 I 5.7168 9.1683 127.3571 58.5651 40.6508 174.1867 58 Y 5.5615 8.1978 124.5803 55.3683 41.3143 174.5341 59 S 4.6984 8.7771 114.9066 57.3448 67.5832 172.1976 60 F 4.5922 7.7051 114.2943 55.7957 41.4815 173.7208 61 S 4.8002 8.3944 114.4700 57.7221 63.8479 175.1696 62 S 4.1597 8.5618 114.2668 61.2180 61.8361 175.6143 63 E 3.9391 8.1081 121.8821 59.5794 29.4761 178.7409 64 T 3.7540 7.8743 115.2099 66.2539 68.3895 176.5819 65 A 3.9856 8.2831 122.9528 55.1131 18.4332 179.6337 66 L 3.9522 7.6718 117.2993 57.9882 41.7905 179.7576 67 K 3.5788 7.4413 118.4090 59.2963 31.9255 179.3788 68 V 3.5665 7.5077 118.4228 66.1759 31.4922 178.2277 69 V 3.5118 7.8217 117.8778 66.0645 31.1128 178.1378 70 S 4.1225 8.1202 114.7664 61.3227 62.4212 176.4241 71 A 4.0170 7.6736 122.3330 55.6968 18.3022 179.4293 72 M 4.1653 7.6913 115.1495 58.0715 32.8240 177.5805 73 M 4.4547 8.2542 120.0836 54.9831 31.2637 177.5226 74 G 3.9235 8.3765 103.1871 46.1868 0.0000 174.3205 75 G 3.9456 8.0321 105.4003 46.0628 0.0000 176.3388 76 M 4.4164 7.7041 122.5730 55.2492 32.6743 175.6210 77 E 4.7687 8.7183 116.4534 55.0714 33.1189 170.9911 78 Y 4.3863 8.5348 123.6124 55.0785 41.1707 174.3672 79 N 4.8344 8.4597 123.4540 52.7196 38.9385 174.4974 80 Q 4.5933 7.4420 116.5432 54.1857 33.0569 175.0020 81 L 4.5261 8.2196 122.8581 54.4884 41.5705 175.9107 82 D 4.7377 7.5867 121.1094 53.0282 42.7685 175.5898 83 E 3.9346 8.7175 118.2632 59.7770 29.7538 178.8846 84 L 4.0930 8.1117 119.6669 58.0202 42.0542 178.8136 85 A 3.8033 8.2724 120.6888 55.1640 18.4164 179.6964 86 L 4.0071 7.9004 117.2863 57.9483 41.6438 179.9717 87 S 4.1660 8.6799 115.5623 61.2479 62.6532 176.5534 88 A 4.0059 7.8250 123.4249 55.2647 18.1581 179.8286 89 I 3.9986 8.1030 118.5001 64.3068 37.1588 178.9469 90 G 3.6499 8.2367 106.9077 47.6638 0.0000 175.7546 91 E 4.0581 8.2632 120.9614 59.0658 29.5062 178.9473 92 L 4.1757 8.4725 121.1019 58.0679 42.0164 179.4020 93 G 3.9463 8.1747 105.7308 47.9347 0.0000 175.5879 94 N 4.4204 8.2291 119.1159 55.9186 38.3623 177.6560 95 M 4.0710 8.2097 120.3864 58.7254 32.0648 178.7614 96 T 4.3179 8.3842 116.9833 66.1232 68.6631 176.5791 97 A 4.1348 8.5681 123.1569 54.9669 18.3885 179.8564 98 G 3.5741 8.3404 104.7380 47.9911 0.0000 175.8699 99 K 3.9789 8.8008 123.3214 58.9279 31.9655 178.5795 100 L 3.9419 8.1301 120.0355 57.9244 42.2373 178.7502 101 A 4.1063 7.9990 120.6304 55.2884 18.2671 178.9240 102 M 3.9600 8.0199 117.7787 59.7029 32.4057 179.1882 103 K 4.1941 8.2057 121.5063 57.9363 33.2157 179.4573 104 L 4.8869 7.5760 122.2271 55.0742 39.1157 176.0511 105 E 4.5565 8.0868 116.3034 56.6043 32.5642 178.1501 *106 H 4.8279 7.8471 114.7808 54.4105 28.8397 179.9794 *110 H 4.7725 7.5909 122.3931 55.0286 29.0296 174.2991 111 V 4.9803 7.7848 115.1469 59.3368 36.3931 174.4936 112 D 5.0645 8.7275 121.6082 52.7061 44.1925 175.1108 113 I 4.7508 8.3171 122.6076 60.2187 38.9694 175.4091 114 T 4.5142 8.3354 122.8412 61.7322 69.8978 173.2052 115 P 4.5437 0.0000 0.0000 61.9015 31.9938 174.7158 116 P 4.7631 0.0000 0.0000 63.3162 32.5755 175.5180 117 T 4.6264 8.6898 116.7458 61.7621 72.1979 173.0309 118 V 4.6376 8.4487 125.7296 61.0641 33.5148 174.6396 119 V 4.5949 8.6535 128.2394 61.1190 34.1226 174.3894 120 S 5.0057 8.9744 120.3594 56.3044 66.2506 174.8455 121 G 3.8930 7.4249 106.7314 46.3224 0.0000 171.1132 122 R 4.5864 8.1178 118.7626 55.5460 32.8546 175.1474 123 D 4.2325 8.7016 119.2926 55.1101 39.5369 174.5536 124 L 3.9645 7.4241 117.8008 54.8737 41.7547 177.1072 125 K 4.4205 8.4849 125.5634 54.5119 33.4588 175.2241 126 I 4.4066 8.2049 126.8213 59.2269 39.2206 174.6288 127 K 4.5042 8.6116 125.8902 54.5392 33.6384 175.0182 128 S 4.8774 8.5594 120.0240 56.4345 65.1226 173.0621 129 F 4.4367 8.9540 124.8553 59.0531 39.2338 174.9635 130 G 4.6135 9.3029 111.6341 43.4523 0.0000 172.9083 131 V 3.6210 7.7901 117.8814 62.6375 31.6836 175.0335 132 I 4.8751 8.4651 125.4282 59.4449 39.8742 174.2334 133 L 4.8575 8.8885 129.2330 53.2814 43.8591 175.1613 134 K 4.5205 9.1272 129.1294 55.9372 34.1632 175.9738 135 L 4.5908 8.6839 128.8696 53.2191 44.6007 173.0182 136 P 4.9629 0.0000 0.0000 62.9966 33.1239 175.4052 137 I 5.0681 9.1045 121.9906 60.0158 41.8054 174.1424 138 S 4.9038 8.6496 122.5685 56.7243 63.9968 173.3344 139 V 3.7379 8.6653 122.2054 63.6651 33.4076 176.1555 140 F 4.6308 8.3071 116.4249 58.1380 40.7272 175.5623 141 S 4.7562 7.8623 114.3591 56.2334 66.7018 172.3563 142 E 3.9799 8.7754 120.6196 57.3429 29.2348 177.4875 143 E 4.0281 8.9691 127.0088 57.5283 27.1844 174.8168 144 D 4.9095 7.9732 114.8745 53.7440 41.3677 178.1638 145 F 5.3305 8.5286 119.2688 55.8020 42.7404 174.3045 146 D 5.1763 8.8778 121.5717 51.9355 42.4797 173.8108 147 L 5.1290 9.0809 127.0387 54.0117 43.9071 174.7133 148 H 5.3842 9.9211 124.3754 53.9503 32.1751 172.8046 149 L 5.2121 9.0415 123.4085 53.1511 44.0762 175.5360 150 S 5.5232 8.6136 118.7315 56.2564 65.9375 173.9108 151 V 5.1550 7.6869 120.4706 60.6771 33.9216 175.4605 152 K 4.1832 8.7134 117.5725 57.1720 31.9388 176.6235 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 0 M 8.30 4.65 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 1 M 8.37 4.04 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 D 8.50 4.28 0.00 2.70 2.55 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 0.00 0.00 0.00 0.00 3 A 8.75 3.97 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 4 R 8.23 3.91 0.00 1.91 2.10 0.00 3.10 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 5 I 8.08 3.79 2.07 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 1.42 0.97 0.93 0.00 0.00 6 V 7.80 3.60 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 1.01 0.00 0.00 1.01 0.00 0.00 7 N 8.31 4.35 0.00 2.85 2.84 0.00 0.00 6.99 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 8 A 7.74 4.17 1.35 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 0.00 0.00 0.00 9 L 7.65 3.98 0.00 2.11 1.78 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.39 3.80 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 1.48 1.14 0.92 0.00 0.00 11 G 8.35 3.74 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 0.00 0.00 0.00 12 S 7.99 4.17 0.00 4.18 4.37 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 13 V 7.36 3.43 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 0.79 0.00 0.00 1.03 0.00 0.00 14 Y 8.02 3.91 0.00 3.02 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 15 E 8.38 3.74 0.00 2.13 1.95 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 2.47 2.77 0.00 16 T 7.94 3.82 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 1.20 0.00 0.00 17 I 7.58 3.50 1.63 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.90 0.44 0.00 0.00 18 R 7.46 4.04 0.00 1.40 1.61 0.00 3.15 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 19 D 7.76 4.32 0.00 2.64 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 20 V 8.04 3.78 2.15 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 0.85 0.00 0.00 0.94 0.00 0.00 21 L 7.80 4.29 0.00 1.78 1.67 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.93 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 23 I 6.80 4.47 1.68 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.62 0.80 0.00 0.00 24 E 8.36 4.35 0.00 1.91 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 2.19 2.20 0.00 25 P 0.00 4.55 0.00 1.96 1.73 0.00 3.46 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.64 0.00 26 K 8.81 4.43 0.00 1.79 1.71 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.34 7.81 27 T 8.36 3.90 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 1.26 0.00 0.00 28 G 8.32 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 29 K 8.48 4.17 0.00 1.73 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 30 P 0.00 4.63 0.00 1.97 2.00 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 31 S 8.42 4.49 0.00 3.86 3.64 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 32 T 8.67 4.90 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 1.27 0.00 0.00 33 V 7.90 4.31 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 0.71 0.00 0.00 1.10 0.00 0.00 34 S 8.60 4.32 0.00 3.83 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 35 H 7.44 4.47 0.00 3.15 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.28 4.46 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.65 0.00 0.00 37 E 8.55 4.32 0.00 1.96 1.89 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 2.27 2.26 0.00 38 I 7.67 4.00 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.28 0.85 0.00 0.00 39 P 0.00 4.84 0.00 1.96 2.01 0.00 3.09 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.10 0.00 40 H 7.86 5.15 0.00 3.08 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.35 4.77 0.00 3.75 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 42 L 7.81 4.98 0.00 1.09 0.89 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.72 4.59 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 0.64 0.00 0.00 0.80 0.00 0.00 44 T 8.16 4.68 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 0.97 0.00 0.00 45 V 8.70 4.50 2.02 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 0.94 0.00 0.00 0.86 0.00 0.00 46 I 8.63 4.73 2.04 0.00 0.00 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 1.20 0.65 0.95 0.00 0.00 47 G 8.63 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 48 I 9.13 5.37 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.97 0.00 0.00 49 T 8.63 4.78 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 1.21 0.00 0.00 50 G 9.07 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 51 G 8.03 3.69 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 0.00 0.00 0.00 52 I 7.31 4.36 1.89 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 1.43 0.70 0.92 0.00 0.00 53 E 9.75 4.93 0.00 2.02 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 2.28 2.27 0.00 54 G 7.21 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 0.00 0.00 0.00 0.00 55 S 8.00 5.05 0.00 3.82 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 56 L 9.27 4.94 0.00 1.80 1.65 1.05 1.14 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 57 I 9.17 5.72 1.92 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 0.87 0.98 0.87 0.00 0.00 58 Y 8.20 5.56 0.00 3.11 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 59 S 8.78 4.70 0.00 3.78 3.76 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 60 F 7.71 4.59 0.00 2.91 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 61 S 8.39 4.80 0.00 4.09 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 62 S 8.56 4.16 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 63 E 8.11 3.94 0.00 2.09 1.94 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 2.35 2.39 0.00 64 T 7.87 3.75 4.41 0.00 0.00 0.00 0.00 0.00 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 65 A 8.28 3.99 1.63 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 66 L 7.67 3.95 0.00 1.78 1.92 0.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.44 3.58 0.00 1.14 0.74 0.00 1.44 0.00 0.00 1.25 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.34 7.81 68 V 7.51 3.57 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 1.05 0.00 0.00 0.70 0.00 0.00 69 V 7.82 3.51 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 0.24 0.00 0.00 0.92 0.00 0.00 70 S 8.12 4.12 0.00 4.01 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 71 A 7.67 4.02 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 72 M 7.69 4.17 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 73 M 8.25 4.45 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 74 G 8.38 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 75 G 8.03 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 0.00 0.00 0.00 76 M 7.70 4.42 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 77 E 8.72 4.77 0.00 1.94 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 0.00 2.10 1.81 0.00 78 Y 8.53 4.39 0.00 2.84 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 79 N 8.46 4.83 0.00 2.76 2.84 0.00 0.00 6.06 7.39 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 80 Q 7.44 4.59 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.59 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 81 L 8.22 4.53 0.00 1.63 1.65 1.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.59 4.74 0.00 3.01 2.88 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 0.00 0.00 0.00 83 E 8.72 3.93 0.00 2.05 2.02 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 2.39 2.32 0.00 84 L 8.11 4.09 0.00 1.87 1.96 0.90 1.43 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 85 A 8.27 3.80 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 86 L 7.90 4.01 0.00 1.87 1.73 0.93 0.85 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 87 S 8.68 4.17 0.00 4.01 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 88 A 7.83 4.01 1.35 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 0.00 0.00 0.00 89 I 8.10 4.00 1.93 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 1.74 0.84 1.02 0.00 0.00 90 G 8.24 3.65 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 0.00 0.00 0.00 91 E 8.26 4.06 0.00 2.23 2.03 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 2.34 2.40 0.00 92 L 8.47 4.18 0.00 2.05 2.03 1.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.17 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 0.00 0.00 0.00 94 N 8.23 4.42 0.00 2.94 2.91 0.00 0.00 7.09 7.67 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 95 M 8.21 4.07 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.98 0.00 96 T 8.38 4.32 4.60 0.00 0.00 0.00 0.00 0.00 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 97 A 8.57 4.13 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 98 G 8.34 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 3.98 0.00 1.84 1.97 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.51 7.81 100 L 8.13 3.94 0.00 1.96 1.80 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.00 4.11 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 0.00 102 M 8.02 3.96 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 103 K 8.21 4.19 0.00 1.89 1.71 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.39 1.31 7.81 104 L 7.58 4.89 0.00 1.92 1.62 0.93 0.96 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 0.00 105 E 8.09 4.56 0.00 2.00 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 2.13 1.83 0.00 *106 H 7.85 4.83 0.00 2.87 2.85 0.00 7.20 0.00 0.00 0.00 0.00 5.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *110 H 7.59 4.77 0.00 2.62 3.06 0.00 7.09 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.78 4.98 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 0.93 0.00 0.00 0.94 0.00 0.00 112 D 8.73 5.06 0.00 2.66 2.52 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 0.00 113 I 8.32 4.75 1.89 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 0.83 0.94 0.00 0.00 114 T 8.34 4.51 4.40 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 1.21 0.00 0.00 115 P 0.00 4.54 0.00 1.93 1.98 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 116 P 0.00 4.76 0.00 2.06 2.08 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 117 T 8.69 4.63 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 1.17 0.00 0.00 118 V 8.45 4.64 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 0.68 0.00 0.00 0.88 0.00 0.00 119 V 8.65 4.59 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 0.97 0.00 0.00 0.87 0.00 0.00 120 S 8.97 5.01 0.00 3.81 3.69 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 0.00 121 G 7.42 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 0.00 122 R 8.12 4.59 0.00 1.77 1.82 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 123 D 8.70 4.23 0.00 2.72 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 0.00 124 L 7.42 3.96 0.00 1.65 1.58 0.85 0.68 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 0.00 125 K 8.48 4.42 0.00 1.67 1.67 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.34 7.81 126 I 8.20 4.41 1.82 0.00 0.00 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 1.25 0.71 0.89 0.00 0.00 127 K 8.61 4.50 0.00 1.70 1.77 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.47 1.66 7.81 128 S 8.56 4.88 0.00 3.87 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 0.00 129 F 8.95 4.44 0.00 2.95 3.02 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 0.00 130 G 9.30 4.61 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 0.00 0.00 0.00 131 V 7.79 3.62 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 0.74 0.00 0.00 0.96 0.00 0.00 132 I 8.47 4.88 1.91 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 1.27 1.37 1.01 0.00 0.00 133 L 8.89 4.86 0.00 1.72 1.56 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.13 4.52 0.00 1.87 1.65 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.24 7.81 135 L 8.68 4.59 0.00 1.73 1.52 0.93 0.80 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 0.00 136 P 0.00 4.96 0.00 2.31 2.21 0.00 3.80 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 2.10 2.03 0.00 137 I 9.10 5.07 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.14 0.80 0.00 0.00 138 S 8.65 4.90 0.00 3.80 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 0.00 139 V 8.67 3.74 1.72 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 -0.13 0.00 0.00 0.17 0.00 0.00 140 F 8.31 4.63 0.00 3.26 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 0.00 141 S 7.86 4.76 0.00 3.92 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 0.00 142 E 8.78 3.98 0.00 2.00 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 2.34 2.30 0.00 143 E 8.97 4.03 0.00 2.09 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 2.31 2.27 0.00 144 D 7.97 4.91 0.00 2.83 2.92 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 0.00 145 F 8.53 5.33 0.00 3.13 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 0.00 146 D 8.88 5.18 0.00 2.74 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 0.00 147 L 9.08 5.13 0.00 1.90 1.79 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 148 H 9.92 5.38 0.00 3.13 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 9.04 5.21 0.00 1.59 1.60 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.61 5.52 0.00 3.97 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 0.00 151 V 7.69 5.15 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 1.40 0.00 0.00 0.96 0.00 0.00 152 K 8.71 4.18 0.00 1.88 1.72 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.