NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4257 8.1633 120.3497 55.8284 34.0649 177.0959 2 N 4.4685 8.0579 113.8599 54.2815 39.5214 173.8492 3 R 4.6928 7.7126 116.2470 54.3582 31.9420 175.9899 4 G 3.9916 8.0113 109.3718 48.5985 0.0000 174.0296 5 A 4.2584 7.9233 121.7675 53.9194 19.4433 179.0962 6 L 4.0373 8.1722 117.5861 58.0508 42.3116 178.8990 7 I 3.8415 7.6805 119.3916 64.3174 37.2055 177.9958 8 K 4.6381 7.4571 119.6097 59.1378 31.7658 179.1098 9 L 4.0193 7.5911 117.0656 57.9499 41.5382 179.7319 10 V 3.7184 7.6548 117.3104 66.0957 31.8540 177.4738 11 E 4.3364 8.3256 117.8191 58.9113 29.7506 176.8656 12 S 4.7679 7.8332 114.9501 58.0707 61.2372 173.4860 13 R 4.5507 8.4618 125.9724 55.9726 30.5904 175.2491 14 Y 4.6572 7.7111 111.9129 57.0751 38.8976 176.3027 15 V 4.0589 7.5679 111.6878 60.8021 32.9265 176.0150 16 R 4.6280 7.8879 120.8930 55.5056 32.8940 174.9194 17 T 4.3332 8.0764 111.2547 63.0976 72.7253 174.1595 18 D 4.6120 8.3064 119.0579 54.4796 39.7664 175.8576 19 L 4.6366 7.0384 119.3439 52.5634 43.3307 174.7914 20 P 4.3621 0.0000 0.0000 62.4921 31.9312 175.9979 21 E 4.3563 8.5901 121.9162 54.8891 29.3290 175.1189 22 F 5.1067 7.8576 120.6403 55.1179 40.6612 174.3498 23 R 4.3360 8.6834 114.7631 55.7838 31.3492 175.1424 24 P 4.8620 0.0000 0.0000 64.4087 30.0498 176.9167 25 G 4.1193 9.1405 108.7556 46.4617 0.0000 176.6553 26 D 4.9663 8.8177 127.1278 52.7988 42.7806 173.7783 27 T 4.2902 8.4508 127.0363 60.6953 68.2896 177.1928 28 V 4.1010 7.1314 115.9551 61.6646 33.5468 168.9547 29 R 4.7411 8.9509 132.3324 57.0837 33.6767 173.7798 30 V 3.7332 7.2451 111.5636 61.6271 35.5749 175.1159 31 S 4.1031 7.5915 118.2391 58.5262 66.5314 175.2187 32 Y 4.6072 7.5540 112.3160 57.7762 43.4863 174.6077 33 K 3.4033 7.3889 117.9893 56.3474 30.7282 174.1704 34 V 4.3676 7.9510 122.8782 61.4256 33.3349 174.3024 35 K 4.1535 8.4001 129.2230 57.0313 36.6135 175.2744 36 E 3.8156 10.3661 121.0591 56.7819 28.1403 176.4227 37 G 4.0600 8.3499 102.6540 45.2000 0.0000 174.0131 38 N 5.0815 8.6581 119.4713 52.0925 39.1382 174.7280 39 R 5.0225 8.4297 108.5286 54.9987 31.6717 173.4000 40 T 4.1986 7.0253 116.5245 58.8767 71.0676 176.2273 41 R 3.6151 8.8536 112.9021 56.5543 27.7276 176.8297 42 I 3.7104 7.5200 110.7701 61.7679 37.9694 177.2562 43 Q 4.3433 8.6524 129.7287 55.8648 30.7322 173.8755 44 D 5.2095 8.5037 121.3160 52.2885 44.1655 175.5610 45 F 4.4855 8.7954 124.3195 56.5388 42.0454 173.5692 46 E 4.6482 8.3894 128.9425 54.9221 29.6341 174.8125 47 G 4.2676 8.1944 112.5619 44.4246 0.0000 170.7164 48 I 4.3694 8.1018 120.5768 61.0275 38.9458 176.1792 49 V 4.6362 8.2241 125.9583 61.0396 31.8822 176.7402 50 I 3.8737 8.9397 128.3926 63.6712 38.4098 176.2111 51 R 4.3644 7.1819 118.9201 55.6089 34.1612 173.9426 52 I 5.1173 8.5201 125.3084 59.6744 40.1997 174.8300 53 R 4.4821 8.7195 125.5887 54.7057 30.7172 176.8817 54 R 4.4055 8.4610 122.5631 54.9789 31.2496 174.9711 55 N 4.4537 8.6955 114.4182 53.5729 40.3953 174.8216 56 G 3.9333 8.1828 105.6026 44.7804 0.0000 176.9246 57 F 4.8306 7.7878 122.1988 57.5581 42.2713 175.9964 58 N 3.8404 6.4094 116.1433 53.6882 35.8152 173.8120 59 T 4.2409 7.8839 114.2953 62.1046 69.7718 174.1666 60 T 4.9607 8.0455 116.0021 60.5500 71.7520 173.4136 61 F 5.6286 9.3473 116.4375 55.6741 41.8523 173.3543 62 T 5.3928 9.4153 110.5160 59.1223 71.7080 173.1002 63 V 5.0515 7.9541 116.7769 59.9360 35.2816 174.5739 64 R 5.7570 9.1246 123.6085 55.0022 33.5255 173.7653 65 K 4.4725 8.5246 125.8341 54.6999 36.8835 174.7606 66 V 4.3284 8.2420 122.7937 62.1087 31.7283 175.7534 67 S 4.3122 8.9403 125.2544 57.2789 63.0064 175.3680 68 Y 3.9825 8.6393 130.4298 59.2668 35.5377 171.1247 69 G 3.7896 9.6327 114.4192 48.5362 0.0000 174.5165 70 V 4.0715 7.6361 119.6473 61.8483 33.3190 174.9489 71 G 4.4812 8.5061 111.8209 44.7305 0.0000 173.0882 72 V 4.7134 9.5804 122.3197 60.8813 35.4245 173.8195 73 E 5.1978 8.8397 125.5206 54.6476 31.8742 175.3931 74 R 4.0157 9.0158 123.0542 54.0838 33.2560 174.6160 75 I 4.2290 7.7095 124.5470 59.7430 38.5711 174.9525 76 F 5.1817 8.3122 126.7984 55.0199 40.7023 175.2362 77 P 4.2465 0.0000 0.0000 63.5058 31.4362 177.5905 78 L 4.3695 8.9232 118.1989 55.5889 40.6382 173.1335 79 H 4.9129 7.7201 112.1291 55.7452 32.9691 171.7976 80 S 4.0168 8.8728 120.0031 57.5556 60.9875 167.6623 81 P 4.5800 0.0000 0.0000 62.0660 30.8426 175.8784 82 L 4.5738 7.7454 119.5973 53.9881 43.7768 176.7868 83 I 4.0322 8.0545 117.7139 58.6119 37.0093 177.7272 84 Q 4.8099 8.2419 118.9878 57.5970 32.2309 171.9335 85 K 4.9969 7.6956 124.1075 57.0902 34.1748 173.9903 86 I 3.8924 7.2524 118.6957 61.1291 38.7255 173.6847 87 D 4.9424 8.0182 119.5567 51.0156 43.7368 175.5706 88 I 3.9143 8.8215 122.6169 62.5611 37.4881 178.2817 89 V 4.2189 5.4500 128.6529 61.7075 35.1350 175.9170 90 Q 4.4418 8.8978 127.9962 55.4405 26.7022 176.2440 91 R 4.7517 7.8255 128.5697 54.6168 31.2914 177.2363 92 G 4.1495 9.5647 118.0020 47.2815 0.0000 174.0759 93 R 3.7563 8.4977 121.7375 56.6626 29.5144 175.2523 94 A 3.8284 7.9042 121.8323 51.8298 17.9844 176.7713 95 R 4.7200 8.4152 114.7033 55.4554 31.7726 175.7577 96 R 4.6700 7.6390 112.6449 54.5139 32.2768 174.8734 97 A 4.0334 8.9023 123.5244 54.7968 18.5100 178.0094 98 K 4.3837 8.0457 116.4171 54.9240 33.8792 177.1540 99 L 5.1192 7.8032 128.0611 54.8677 39.7955 177.3180 100 Y 4.2860 8.0024 118.1654 60.5723 38.7392 178.4731 101 F 4.4618 8.6186 114.6060 59.1544 37.3988 176.5515 102 I 3.5033 6.7513 114.4423 63.3495 38.2204 178.1141 103 R 3.7543 8.2135 114.8089 59.6748 29.5182 178.7905 104 N 4.0809 8.1590 119.4764 56.0199 39.7737 175.3441 105 L 4.5984 7.3976 122.2550 52.9365 43.4246 175.7484 106 S 4.8829 9.1733 117.2600 55.9914 67.5666 172.4513 107 D 5.1233 8.2362 123.4151 52.6958 35.2035 178.9463 108 R 4.1924 9.0019 121.7034 58.3999 30.2825 176.0247 109 E 4.0364 8.4500 118.1909 59.4244 29.4235 179.3251 110 I 3.7042 7.6974 119.3249 64.3751 37.0920 177.8992 111 R 4.2301 7.6106 115.2897 57.4940 30.0871 177.9692 112 R 4.3614 7.6480 117.1697 57.7344 31.0597 177.9525 113 K 4.3275 8.2718 117.4122 57.2472 33.6824 177.5192 114 L 5.2419 7.4880 118.3869 51.9511 42.5308 176.4398 115 R 3.8487 8.4063 117.9363 57.3562 29.3997 179.2738 116 A 4.1750 8.6334 127.0680 51.1219 21.7780 178.9389 117 D 4.7176 7.7384 124.5646 54.1673 36.9837 176.2881 118 R 3.8831 7.9282 123.4429 59.2138 30.4585 177.6129 119 K 4.2297 8.2607 118.4976 60.1210 31.8780 178.7389 120 R 4.1924 7.6954 115.0023 58.7002 30.0983 178.8486 121 I 3.9592 7.4398 120.3656 64.1212 37.1878 177.7367 122 D 4.4077 9.1267 120.2489 56.5333 40.8899 177.4475 123 Q 4.5978 7.6587 116.3229 55.7987 29.0178 175.8369 124 D 4.8122 8.3483 120.6031 55.9500 43.1054 177.9240 125 R 4.1876 8.0824 114.5601 56.9336 30.1114 176.4531 126 A 4.5134 7.8646 120.4645 52.5550 21.2648 177.7350 127 A 4.5009 7.9002 117.9682 52.5558 18.6896 178.4343 128 E 4.1576 7.9742 112.3528 57.3099 29.2740 174.6993 129 R 4.1381 7.2485 122.3659 56.6875 29.0642 175.0135 130 A 4.0774 8.2797 123.9127 50.3634 20.4915 176.7008 131 A 3.5749 7.7988 122.6806 52.4352 16.1722 177.4772 132 K 4.5165 8.1918 121.5995 57.4160 30.6654 179.2790 133 E 3.9550 8.4876 122.3976 58.2720 29.2019 176.3965 134 E 4.2857 7.8670 119.3912 56.6349 30.5639 175.7549 135 A 3.9033 8.9394 122.8067 52.8414 15.9213 178.3224 136 Q 4.5461 7.6904 116.6166 57.5748 33.9329 174.9599 137 K 4.3810 7.2365 116.6222 55.3145 31.6901 175.9700 *138 A 4.1104 7.6689 124.7542 52.4270 18.7921 176.8632 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 8.16 4.43 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 2 N 8.06 4.47 0.00 2.84 2.85 0.00 0.00 6.66 6.78 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 3 R 7.71 4.69 0.00 1.82 1.90 0.00 3.33 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 G 8.01 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 5 A 7.92 4.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.17 4.04 0.00 1.62 1.87 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.68 3.84 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 1.94 0.80 1.05 0.00 0.00 8 K 7.46 4.64 0.00 2.09 1.92 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.56 7.81 9 L 7.59 4.02 0.00 1.84 1.76 0.93 0.79 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 V 7.65 3.72 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 11 E 8.33 4.34 0.00 2.31 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 0.00 2.44 2.52 0.00 12 S 7.83 4.77 0.00 4.00 3.34 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 0.00 13 R 8.46 4.55 0.00 1.63 1.57 0.00 3.11 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 14 Y 7.71 4.66 0.00 2.90 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 V 7.57 4.06 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 0.47 0.00 0.00 0.88 0.00 0.00 16 R 7.89 4.63 0.00 1.60 1.94 0.00 3.93 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 17 T 8.08 4.33 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 1.20 0.00 0.00 18 D 8.31 4.61 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.04 4.64 0.00 1.77 1.65 0.93 0.98 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 20 P 0.00 4.36 0.00 2.09 2.01 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 21 E 8.59 4.36 0.00 1.91 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 2.16 2.19 0.00 22 F 7.86 5.11 0.00 3.12 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 23 R 8.68 4.34 0.00 1.90 1.87 0.00 2.94 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 24 P 0.00 4.86 0.00 2.14 2.27 0.00 3.66 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 25 G 9.14 4.12 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 0.00 26 D 8.82 4.97 0.00 2.73 2.71 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 27 T 8.45 4.29 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 1.28 0.00 0.00 28 V 7.13 4.10 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 0.88 0.00 0.00 1.02 0.00 0.00 29 R 8.95 4.74 0.00 2.01 1.86 0.00 3.25 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 30 V 7.25 3.73 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 0.92 0.00 0.00 31 S 7.59 4.10 0.00 2.72 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 32 Y 7.55 4.61 0.00 3.08 3.04 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 0.00 33 K 7.39 3.40 0.00 2.10 1.78 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.11 1.25 7.81 34 V 7.95 4.37 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 0.92 0.00 0.00 1.03 0.00 0.00 35 K 8.40 4.15 0.00 1.93 1.76 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.23 7.81 36 E 10.37 3.82 0.00 2.03 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 0.00 2.29 2.29 0.00 37 G 8.35 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 38 N 8.66 5.08 0.00 2.80 2.84 0.00 0.00 6.68 6.45 0.00 0.00 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 R 8.43 5.02 0.00 1.78 1.90 0.00 3.20 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 40 T 7.03 4.20 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 1.23 0.00 0.00 41 R 8.85 3.62 0.00 1.94 1.97 0.00 3.39 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 42 I 7.52 3.71 1.85 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 1.23 0.58 1.01 0.00 0.00 43 Q 8.65 4.34 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 44 D 8.50 5.21 0.00 2.51 2.50 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 45 F 8.80 4.49 0.00 3.22 3.11 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 46 E 8.39 4.65 0.00 1.90 1.69 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 2.11 2.22 0.00 47 G 8.19 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 0.00 0.00 0.00 0.00 48 I 8.10 4.37 1.85 0.00 0.00 0.82 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 0.43 1.00 0.00 0.00 49 V 8.22 4.64 2.37 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 0.94 0.00 0.00 1.31 0.00 0.00 50 I 8.94 3.87 1.87 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 1.03 0.41 0.55 0.00 0.00 51 R 7.18 4.36 0.00 1.58 1.42 0.00 2.93 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 52 I 8.52 5.12 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.89 0.00 0.00 53 R 8.72 4.48 0.00 1.95 2.12 0.00 2.79 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 54 R 8.46 4.41 0.00 1.83 1.91 0.00 3.31 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 55 N 8.70 4.45 0.00 2.62 2.89 0.00 0.00 6.98 7.98 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 56 G 8.18 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 0.00 0.00 0.00 57 F 7.79 4.83 0.00 2.96 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 58 N 6.41 3.84 0.00 2.62 2.40 0.00 0.00 5.91 7.71 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 59 T 7.88 4.24 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 1.37 0.00 0.00 60 T 8.05 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 61 F 9.35 5.63 0.00 3.47 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 62 T 9.42 5.39 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 1.08 0.00 0.00 63 V 7.95 5.05 2.34 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 1.10 0.00 0.00 1.21 0.00 0.00 64 R 9.12 5.76 0.00 1.81 1.71 0.00 3.28 0.00 0.00 3.17 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 65 K 8.52 4.47 0.00 1.73 1.28 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.36 7.81 66 V 8.24 4.33 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 0.84 0.00 0.00 0.91 0.00 0.00 67 S 8.94 4.31 0.00 3.65 3.67 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 68 Y 8.64 3.98 0.00 3.16 2.37 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 69 G 9.63 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.64 4.07 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 1.01 0.00 0.00 0.96 0.00 0.00 71 G 8.51 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 72 V 9.58 4.71 2.35 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 0.83 0.00 0.00 0.97 0.00 0.00 73 E 8.84 5.20 0.00 1.80 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 2.22 2.30 0.00 74 R 9.02 4.02 0.00 0.67 0.66 0.00 2.37 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 I 7.71 4.23 1.67 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 1.17 0.34 0.80 0.00 0.00 76 F 8.31 5.18 0.00 1.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.25 0.00 2.23 2.06 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 78 L 8.92 4.37 0.00 2.27 2.13 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.72 4.91 0.00 3.12 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.87 4.02 0.00 4.06 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 81 P 0.00 4.58 0.00 0.88 1.87 0.00 3.40 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.90 0.00 82 L 7.75 4.57 0.00 1.70 1.74 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.05 4.03 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 1.36 0.40 0.94 0.00 0.00 84 Q 8.24 4.81 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.73 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 85 K 7.70 5.00 0.00 1.71 1.74 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.97 1.09 7.81 86 I 7.25 3.89 1.85 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 1.34 0.92 0.89 0.00 0.00 87 D 8.02 4.94 0.00 2.71 2.50 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 88 I 8.82 3.91 2.17 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 1.09 0.71 0.95 0.00 0.00 89 V 5.45 4.22 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 0.78 0.00 0.00 0.93 0.00 0.00 90 Q 8.90 4.44 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.32 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 91 R 7.83 4.75 0.00 1.76 1.48 0.00 3.46 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 92 G 9.56 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 0.00 0.00 0.00 93 R 8.50 3.76 0.00 1.97 2.07 0.00 3.42 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 94 A 7.90 3.83 1.39 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 0.00 0.00 95 R 8.42 4.72 0.00 1.73 1.88 0.00 3.39 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 96 R 7.64 4.67 0.00 1.91 1.86 0.00 3.06 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 97 A 8.90 4.03 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 98 K 8.05 4.38 0.00 1.90 2.14 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.76 1.47 7.81 99 L 7.80 5.12 0.00 1.99 2.17 0.92 0.86 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 0.00 100 Y 8.00 4.29 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.62 4.46 0.00 3.21 3.23 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 0.00 102 I 6.75 3.50 1.63 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 1.21 0.65 0.18 0.00 0.00 103 R 8.21 3.75 0.00 1.93 1.85 0.00 3.31 0.00 0.00 3.29 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 104 N 8.16 4.08 0.00 2.79 2.85 0.00 0.00 6.61 7.85 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 0.00 105 L 7.40 4.60 0.00 1.83 1.83 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.17 4.88 0.00 3.89 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 0.00 107 D 8.24 5.12 0.00 2.90 2.24 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 0.00 108 R 9.00 4.19 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 109 E 8.45 4.04 0.00 2.15 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 2.36 2.68 0.00 110 I 7.70 3.70 2.05 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 1.55 0.93 0.87 0.00 0.00 111 R 7.61 4.23 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 112 R 7.65 4.36 0.00 2.00 2.00 0.00 3.22 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 113 K 8.27 4.33 0.00 2.00 2.11 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.21 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.92 1.68 7.81 114 L 7.49 5.24 0.00 1.71 1.62 0.89 0.77 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 0.00 115 R 8.41 3.85 0.00 1.82 1.72 0.00 3.42 0.00 0.00 3.24 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 116 A 8.63 4.18 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 0.00 117 D 7.74 4.72 0.00 2.78 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 0.00 118 R 7.93 3.88 0.00 1.89 2.21 0.00 3.21 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 119 K 8.26 4.23 0.00 1.82 2.04 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.56 7.81 120 R 7.70 4.19 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 121 I 7.44 3.96 1.99 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 1.81 0.98 0.92 0.00 0.00 122 D 9.13 4.41 0.00 2.51 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 0.00 123 Q 7.66 4.60 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 124 D 8.35 4.81 0.00 2.95 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.08 4.19 0.00 1.80 1.97 0.00 3.33 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 126 A 7.86 4.51 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 0.00 127 A 7.90 4.50 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 0.00 128 E 7.97 4.16 0.00 2.25 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 0.00 2.33 2.30 0.00 129 R 7.25 4.14 0.00 1.81 1.96 0.00 3.29 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 130 A 8.28 4.08 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 0.00 131 A 7.80 3.57 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 0.00 132 K 8.19 4.52 0.00 1.83 1.82 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.42 7.81 133 E 8.49 3.96 0.00 2.01 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 2.31 2.30 0.00 134 E 7.87 4.29 0.00 2.03 1.78 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 2.28 2.29 0.00 135 A 8.94 3.90 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 0.00 136 Q 7.69 4.55 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 7.25 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 137 K 7.24 4.38 0.00 1.90 1.72 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.59 1.48 7.81 *138 A 7.67 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.