NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4252 8.2893 120.3483 54.5341 34.0243 175.2510 2 L 4.0390 7.7477 118.2369 55.7548 41.0935 175.7786 3 K 4.2122 8.8386 120.9676 56.6507 33.9115 176.8975 4 Q 4.7957 8.4432 123.4934 55.8556 30.4176 175.1623 5 V 4.6669 8.4920 124.0387 61.6424 35.7738 172.6676 6 E 4.9694 9.3451 127.1351 54.5245 32.3608 174.9437 7 I 4.9992 8.2001 124.8236 59.3693 40.9791 174.4923 8 F 5.1992 9.1788 124.8651 55.9125 42.2243 174.3944 9 T 5.3439 8.3150 112.4448 60.3973 72.4678 172.4642 10 D 4.5286 8.4434 117.7040 53.7506 45.2069 174.9072 11 G 4.6470 8.9877 111.4011 44.6983 0.0000 172.1506 12 S 4.8923 8.9361 114.9773 56.7817 65.8687 172.4453 13 C 5.0536 8.3907 124.8834 58.1949 34.4070 174.5804 14 L 4.0637 9.2884 126.6294 56.6942 41.6300 176.4481 15 G 4.0828 7.2096 106.1624 45.2892 0.0000 172.7658 16 N 4.9053 8.1312 116.8376 51.9656 39.7094 172.7686 17 P 4.5852 0.0000 0.0000 61.5857 33.3254 175.3455 18 G 3.9803 7.9790 106.9070 45.4393 0.0000 170.2884 19 P 4.8903 0.0000 0.0000 62.4800 32.4300 176.3289 20 G 4.4230 9.3134 110.0273 45.7973 0.0000 171.2432 21 G 4.9277 9.1139 106.8284 45.1885 0.0000 171.3231 22 Y 5.5147 8.1726 116.7532 55.0519 42.1235 174.7172 23 G 4.4831 9.4695 107.0276 44.7081 0.0000 171.4429 24 A 5.5134 9.0620 125.4103 50.5624 23.3317 174.8334 25 I 4.9844 9.4112 122.1715 59.3563 40.9529 174.4696 26 L 5.0836 9.0806 128.3004 53.5438 44.7670 174.9990 27 R 4.7590 9.0085 126.5257 54.2296 32.7109 175.2464 *32 E 4.4075 8.6824 123.7558 55.8772 30.6186 174.5463 33 K 4.4306 9.1122 125.6279 54.9915 34.8885 175.4646 34 T 4.8972 8.1724 121.6446 62.2397 70.5136 174.4013 35 F 5.1118 8.7526 121.9590 56.3296 43.4253 174.0522 36 S 4.5163 8.8860 115.8413 58.4022 66.8894 173.8503 37 A 4.2649 7.3770 121.8201 50.9631 22.4577 175.2453 38 G 4.2967 8.3136 108.4693 44.5966 0.0000 171.7719 39 Y 5.3315 9.5307 121.4197 55.8402 40.7675 176.9853 40 T 3.8601 8.7263 113.9909 64.7241 70.1738 173.7419 41 R 4.4116 7.8667 122.1405 56.0399 32.0286 173.4023 42 T 4.1610 8.8828 122.8574 61.1785 71.1976 172.1542 43 T 4.7747 7.8299 109.0471 59.0742 72.1467 174.3810 44 N 4.3133 8.5999 119.6338 56.4020 38.4025 177.6304 45 N 4.2076 7.8477 117.4034 56.4605 38.6685 177.5445 46 R 3.8304 7.6324 118.9324 59.4458 30.1202 179.1047 47 M 4.2482 8.0077 118.2638 57.9325 31.6101 178.7426 48 A 4.0565 8.0088 121.2850 55.0322 18.6093 179.6807 49 L 3.8439 7.8721 117.4761 58.0856 41.7107 179.2209 50 M 3.6978 8.2798 118.2438 58.4953 31.9187 177.8887 51 A 3.6347 7.8255 120.4047 55.2544 18.4929 179.5799 52 A 3.9217 7.6051 117.7089 55.1123 18.4018 179.7990 53 I 3.5626 8.0875 118.7264 64.5383 36.9931 178.7345 54 V 3.2603 7.6714 117.4098 65.7293 31.7040 177.5388 55 A 3.6507 7.3199 120.0330 55.0936 18.2599 179.5822 56 L 3.8574 7.9628 117.6441 58.0270 41.5399 179.6229 57 E 4.1230 8.2270 116.7404 58.3615 29.3806 178.1743 58 A 4.3502 7.2531 118.9074 51.3591 18.7128 176.6098 59 L 4.4286 7.2937 119.3777 53.9709 42.6945 176.7993 60 K 4.3949 8.5076 122.1568 55.8547 32.3056 175.6817 61 E 4.6362 7.4177 115.1314 55.3286 31.4755 174.9389 62 H 4.5857 8.6758 116.9919 56.2234 29.1981 174.7246 63 C 5.1670 9.0278 119.7546 57.7985 33.3045 172.3681 64 E 5.0224 9.0189 118.8029 54.8423 30.9514 175.1808 65 V 5.3252 8.5546 124.2839 59.7621 35.3007 173.9717 66 I 4.5999 8.0261 127.1375 59.3522 39.8251 173.6395 67 L 4.5864 7.9568 132.8691 53.3494 43.7379 175.1591 68 S 5.1900 8.2218 123.0747 57.7383 64.7319 173.3623 69 T 4.6468 8.4702 114.9854 61.6074 71.0239 173.2456 70 D 5.6668 8.9763 125.9234 52.7400 40.3512 176.7109 71 S 4.3215 8.2224 116.5373 58.5078 63.0895 174.3648 72 Q 3.9144 8.8117 130.6031 59.0556 28.9292 177.3126 73 Y 4.2274 8.0488 120.4084 60.7537 38.9651 177.9268 74 V 3.7202 8.0420 119.1842 65.8937 31.6488 177.6730 75 R 2.0000 7.4770 118.3148 59.0744 29.7633 178.4305 76 Q 3.2040 7.5279 117.6711 58.3212 28.3504 179.2380 77 G 2.6676 7.1423 106.4374 47.8090 0.0000 175.3731 78 I 3.5966 7.5441 123.4851 64.1566 36.9380 178.0569 79 T 3.8826 7.3810 109.3557 63.0333 68.8673 174.0920 80 Q 3.9826 6.7030 120.5989 56.8367 31.7003 176.6167 81 W 3.7152 7.0467 117.1523 59.4738 29.0391 178.6203 82 I 3.5496 6.9812 118.7786 64.4130 36.8973 176.9818 83 H 3.9505 7.7673 118.5258 59.1344 29.8693 176.5604 84 N 4.1893 7.6677 117.5575 56.2439 38.4610 177.1721 85 W 4.3326 7.7322 119.5080 59.8299 28.8569 178.4001 86 K 3.0471 7.0858 116.1968 59.1410 31.6713 178.6166 87 A 4.2508 7.1039 116.7008 52.4642 18.6403 177.5001 88 R 4.3283 7.0745 116.2879 55.1929 30.4189 175.5932 89 G 3.8776 8.4316 102.3446 46.1627 0.0000 173.9861 90 W 3.5228 7.9335 119.2388 56.6834 26.1902 173.0480 91 K 4.8007 7.8263 116.8887 54.3127 35.8873 177.5093 92 T 4.2717 8.2367 113.8138 61.1976 69.6770 174.5526 93 A 4.1968 8.5699 122.9746 54.7800 18.4745 177.5669 94 D 4.8340 7.3255 116.0192 54.1028 41.7870 177.2112 95 K 3.6325 8.5722 119.3993 56.7369 32.3777 174.9625 96 K 4.1701 8.0421 115.7215 55.7071 31.0210 174.1068 97 P 4.5063 0.0000 0.0000 62.2514 32.3648 175.8493 98 V 4.1963 7.6899 111.4364 58.7298 34.4035 175.4898 99 K 3.6848 8.5352 123.9713 58.4402 32.3978 175.7619 100 N 4.5179 9.2687 121.7031 53.5433 36.2688 176.7670 101 V 3.4634 7.4489 121.2483 64.9320 31.2431 176.8111 102 D 4.1757 7.9733 119.1168 56.3325 38.8748 178.6099 103 L 4.0808 7.6466 119.5355 56.7670 41.9087 179.0423 104 W 4.5399 8.5195 119.2085 60.0153 29.0626 178.3747 105 Q 3.9436 8.4462 119.8743 59.1200 28.5186 178.1832 106 R 3.8973 7.7116 119.9268 59.3105 30.1201 178.3419 107 L 4.0270 8.7817 120.8515 58.2180 42.0618 177.9895 108 D 4.6581 9.2749 118.8233 57.7278 40.8167 178.5959 109 A 4.0883 8.0769 119.7149 55.2856 19.0544 179.3937 110 A 4.0964 7.9760 118.3479 54.6288 18.3025 179.9173 111 L 4.2422 8.2683 118.2495 57.8357 41.7951 179.3212 112 G 3.8262 7.6434 101.9141 46.4261 0.0000 174.4020 113 Q 4.3412 7.7241 119.4072 56.7458 29.0101 174.3828 114 H 4.9550 8.0963 115.5854 54.6622 33.9861 173.4532 115 Q 4.3858 8.8919 118.7158 55.1141 28.9526 174.7879 116 I 4.2975 8.1046 124.9631 59.6305 38.8292 175.3912 117 K 4.3406 9.3151 130.3147 54.3330 33.3700 175.0883 118 W 4.3915 8.5808 127.7752 56.1661 30.3540 175.8997 119 E 4.1366 8.8051 125.3095 54.3725 31.1587 174.6893 120 W 5.0779 8.1843 128.3931 55.0777 28.3374 175.2536 121 V 3.9829 8.0677 117.0234 60.2984 32.9802 176.4557 122 K 4.2562 8.9202 126.2322 56.1825 32.6299 176.7442 123 G 4.0630 8.6027 107.6228 48.9086 0.0000 174.9435 124 H 4.8620 8.0761 117.8613 55.3410 30.5264 172.8812 125 A 4.7644 7.9799 118.2267 51.6067 20.3516 178.7854 126 G 3.7024 8.3949 108.1129 46.4817 0.0000 175.5187 127 H 3.7862 9.4386 113.0774 54.9867 29.8195 174.1508 128 P 4.4084 0.0000 0.0000 65.3914 31.3148 178.4868 129 E 3.7331 7.8562 117.1189 59.7152 29.1785 179.1422 130 N 4.3630 7.8915 115.4025 56.4934 38.5761 176.8579 131 E 3.9212 8.1250 119.0323 59.2934 29.9124 178.5155 132 R 4.0207 8.4168 119.1846 59.6096 30.2003 178.2513 133 C 4.1922 8.4677 116.9938 62.9092 28.0789 175.5598 134 N 4.5420 8.3917 118.5423 56.7282 38.3190 176.8124 135 E 4.0164 8.1641 120.2017 59.1660 29.4943 179.2067 136 L 3.9409 7.7924 118.3827 57.5991 41.7227 179.0419 137 A 4.0827 8.5291 120.9668 55.4278 18.3914 179.7361 138 R 3.8518 8.4030 116.4633 59.3738 29.9430 179.0652 139 A 3.9584 8.0181 119.2186 55.2383 18.6985 179.2272 140 A 3.9978 8.2010 119.0563 55.2620 18.2172 179.6857 141 A 4.0235 8.0672 118.6174 55.3953 18.5246 178.9057 142 M 4.3717 7.9008 114.1258 55.6018 33.1257 176.7750 143 N 4.9453 7.8926 117.9118 51.2932 39.6875 173.0103 144 P 4.3231 0.0000 0.0000 63.5062 32.1463 176.5321 145 T 4.5311 8.3012 109.1293 60.9277 70.1909 173.2675 146 L 4.6986 7.1505 121.1537 53.0843 45.8413 174.2804 147 E 4.8685 8.4692 120.7571 54.7643 31.2530 176.6179 148 D 4.9079 8.6591 127.1396 52.9822 39.5406 175.8455 149 T 4.0017 8.2238 116.9342 64.7787 67.7135 174.7899 150 G 3.7505 8.1082 107.5250 46.5492 0.0000 172.7012 151 Y 4.3155 8.1523 122.8113 57.1129 39.2682 174.6770 152 Q 3.9386 7.9663 126.5508 53.8476 28.8237 175.6447 153 V 3.0392 7.7803 123.8109 63.2903 31.5390 175.2887 154 E 4.4864 8.3983 124.7305 56.0591 30.0188 176.5538 155 V 4.0319 7.4415 118.2825 61.9166 32.6006 175.2176 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 4.43 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 L 7.75 4.04 0.00 1.82 1.81 0.93 0.18 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 3 K 8.84 4.21 0.00 1.72 1.76 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.44 7.81 4 Q 8.44 4.80 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 5 V 8.49 4.67 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 0.76 0.00 0.00 0.88 0.00 0.00 6 E 9.35 4.97 0.00 1.95 1.60 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 2.22 2.21 0.00 7 I 8.20 5.00 1.59 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.82 0.00 0.00 8 F 9.18 5.20 0.00 2.99 2.93 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 9 T 8.32 5.34 4.34 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 1.26 0.00 0.00 10 D 8.44 4.53 0.00 2.85 2.62 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 0.00 0.00 0.00 0.00 11 G 8.99 4.65 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 12 S 8.94 4.89 0.00 3.89 3.61 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 13 C 8.39 5.05 0.00 2.99 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 14 L 9.29 4.06 0.00 1.63 1.71 0.92 0.83 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 15 G 7.21 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 16 N 8.13 4.91 0.00 2.65 2.67 0.00 0.00 6.89 7.69 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 17 P 0.00 4.59 0.00 2.06 1.93 0.00 3.96 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 18 G 7.98 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 19 P 0.00 4.89 0.00 2.09 1.99 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 20 G 9.31 4.42 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 0.00 21 G 9.11 4.93 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 0.00 0.00 0.00 22 Y 8.17 5.51 0.00 3.11 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 23 G 9.47 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.06 5.51 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 25 I 9.41 4.98 2.12 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 1.17 0.83 1.02 0.00 0.00 26 L 9.08 5.08 0.00 1.95 1.85 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.01 4.76 0.00 2.00 1.84 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 *32 E 8.68 4.41 0.00 1.95 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 2.19 2.37 0.00 33 K 9.11 4.43 0.00 1.64 1.43 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.46 7.81 34 T 8.17 4.90 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 1.20 0.00 0.00 35 F 8.75 5.11 0.00 3.20 3.17 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 36 S 8.89 4.52 0.00 3.65 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 37 A 7.38 4.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 0.00 0.00 0.00 0.00 39 Y 9.53 5.33 0.00 2.87 2.87 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 40 T 8.73 3.86 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 1.26 0.00 0.00 41 R 7.87 4.41 0.00 1.85 1.93 0.00 3.55 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 42 T 8.88 4.16 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 1.14 0.00 0.00 43 T 7.83 4.77 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 0.81 0.00 0.00 44 N 8.60 4.31 0.00 2.68 2.90 0.00 0.00 7.37 8.25 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 45 N 7.85 4.21 0.00 2.37 2.02 0.00 0.00 7.16 7.66 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 46 R 7.63 3.83 0.00 1.70 1.81 0.00 3.40 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 47 M 8.01 4.25 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 48 A 8.01 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.87 3.84 0.00 1.67 1.43 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.28 3.70 0.00 1.77 1.97 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.47 0.00 51 A 7.83 3.63 1.53 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 52 A 7.61 3.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.56 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.82 0.00 0.00 54 V 7.67 3.26 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 0.23 0.00 0.00 0.65 0.00 0.00 55 A 7.32 3.65 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 56 L 7.96 3.86 0.00 1.68 1.72 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.23 4.12 0.00 1.89 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 2.33 2.38 0.00 58 A 7.25 4.35 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 59 L 7.29 4.43 0.00 1.75 1.56 0.51 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.51 4.39 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.37 7.81 61 E 7.42 4.64 0.00 2.00 1.87 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 2.10 2.30 0.00 62 H 8.68 4.59 0.00 3.06 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.03 5.17 0.00 2.65 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 64 E 9.02 5.02 0.00 1.95 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 2.25 2.16 0.00 65 V 8.55 5.33 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 0.63 0.00 0.00 0.74 0.00 0.00 66 I 8.03 4.60 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.31 0.69 0.00 0.00 67 L 7.96 4.59 0.00 0.94 0.37 0.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.22 5.19 0.00 3.84 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 69 T 8.47 4.65 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 D 8.98 5.67 0.00 2.90 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 71 S 8.22 4.32 0.00 4.08 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 72 Q 8.81 3.91 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 73 Y 8.05 4.23 0.00 3.22 3.09 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 74 V 8.04 3.72 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 1.07 0.00 0.00 1.06 0.00 0.00 75 R 7.48 2.00 0.00 1.11 1.42 0.00 2.57 0.00 0.00 2.85 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 76 Q 7.53 3.20 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.90 2.23 0.00 77 G 7.14 2.67 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 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.54 3.60 1.48 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 1.58 -0.07 0.66 0.00 0.00 79 T 7.38 3.88 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 1.11 0.00 0.00 80 Q 6.70 3.98 0.00 1.51 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.99 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 81 W 7.05 3.72 0.00 1.78 1.74 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 82 I 6.98 3.55 1.70 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.92 0.00 0.00 83 H 7.77 3.95 0.00 3.15 3.12 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.67 4.19 0.00 2.55 2.77 0.00 0.00 7.12 7.37 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 85 W 7.73 4.33 0.00 3.06 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 86 K 7.09 3.05 0.00 1.61 1.66 0.00 2.04 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 87 A 7.10 4.25 1.14 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 88 R 7.07 4.33 0.00 1.79 1.89 0.00 3.63 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 89 G 8.43 3.88 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 0.00 0.00 0.00 90 W 7.93 3.52 0.00 3.34 3.09 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 91 K 7.83 4.80 0.00 1.88 1.70 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.45 7.81 92 T 8.24 4.27 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 1.19 0.00 0.00 93 A 8.57 4.20 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 94 D 7.33 4.83 0.00 2.59 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 95 K 8.57 3.63 0.00 1.92 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.54 7.81 96 K 8.04 4.17 0.00 1.98 1.85 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 97 P 0.00 4.51 0.00 1.97 1.96 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 98 V 7.69 4.20 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.29 0.00 0.00 99 K 8.54 3.68 0.00 1.70 1.88 0.00 2.03 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.48 7.81 100 N 9.27 4.52 0.00 3.23 2.87 0.00 0.00 7.35 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 0.00 101 V 7.45 3.46 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 0.66 0.00 0.00 0.08 0.00 0.00 102 D 7.97 4.18 0.00 2.82 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 0.00 103 L 7.65 4.08 0.00 1.49 1.54 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.52 4.54 0.00 3.36 3.39 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 0.00 105 Q 8.45 3.94 0.00 0.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 106 R 7.71 3.90 0.00 2.03 2.07 0.00 3.11 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 107 L 8.78 4.03 0.00 1.85 2.06 1.12 1.05 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 0.00 108 D 9.27 4.66 0.00 3.37 3.24 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 0.00 109 A 8.08 4.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.98 4.10 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 0.00 111 L 8.27 4.24 0.00 2.09 1.92 1.30 1.10 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 0.00 112 G 7.64 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 0.00 113 Q 7.72 4.34 0.00 2.19 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 114 H 8.10 4.96 0.00 2.90 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.89 4.39 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 116 I 8.10 4.30 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 -0.26 0.00 0.00 117 K 9.32 4.34 0.00 1.55 1.60 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.34 7.81 118 W 8.58 4.39 0.00 2.55 1.74 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 0.00 119 E 8.81 4.14 0.00 1.81 1.66 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 2.17 2.21 0.00 120 W 8.18 5.08 0.00 3.26 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.07 3.98 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 0.92 0.00 0.00 1.15 0.00 0.00 122 K 8.92 4.26 0.00 1.85 1.80 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.50 7.81 123 G 8.60 4.06 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 0.00 0.00 0.00 124 H 8.08 4.86 0.00 3.14 3.25 0.00 5.72 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 0.00 125 A 7.98 4.76 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 0.00 126 G 8.39 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 0.00 0.00 0.00 127 H 9.44 3.79 0.00 3.36 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.41 0.00 2.10 2.09 0.00 3.51 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 129 E 7.86 3.73 0.00 1.16 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 1.48 2.11 0.00 130 N 7.89 4.36 0.00 2.89 2.92 0.00 0.00 6.71 7.66 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 0.00 131 E 8.13 3.92 0.00 1.87 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 2.31 2.44 0.00 132 R 8.42 4.02 0.00 2.04 2.04 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 133 C 8.47 4.19 0.00 3.26 3.19 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 0.00 134 N 8.39 4.54 0.00 3.16 3.06 0.00 0.00 7.23 7.21 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 0.00 135 E 8.16 4.02 0.00 2.30 1.98 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 2.33 2.58 0.00 136 L 7.79 3.94 0.00 1.91 1.71 0.96 0.75 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 0.00 137 A 8.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.40 3.85 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 139 A 8.02 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 0.00 140 A 8.20 4.00 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 0.00 141 A 8.07 4.02 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 0.00 142 M 7.90 4.37 0.00 2.00 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 2.65 2.71 0.00 143 N 7.89 4.95 0.00 2.62 2.65 0.00 0.00 7.11 7.23 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 0.00 144 P 0.00 4.32 0.00 2.24 2.15 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.30 4.53 4.16 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 1.22 0.00 0.00 146 L 7.15 4.70 0.00 0.96 1.34 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.47 4.87 0.00 1.95 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 2.29 2.34 0.00 148 D 8.66 4.91 0.00 2.76 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 0.00 149 T 8.22 4.00 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 0.00 150 G 8.11 3.75 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 0.00 0.00 0.00 151 Y 8.15 4.32 0.00 3.00 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 0.00 152 Q 7.97 3.94 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 153 V 7.78 3.04 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 0.84 0.00 0.00 0.87 0.00 0.00 154 E 8.40 4.49 0.00 2.07 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 2.43 2.35 0.00 155 V 7.44 4.03 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 0.77 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.