NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2209 8.2649 123.5859 51.6546 19.7984 176.6551 3 R 4.1687 8.4002 121.0667 55.6974 29.3119 175.1250 4 I 3.8934 8.8079 126.1642 63.3207 38.6444 175.9283 5 A 4.6891 7.5018 120.8172 50.4366 23.5215 180.5078 6 G 3.2663 8.3516 105.5025 45.5054 0.0000 176.3425 7 V 4.5198 8.6497 119.9757 62.5896 33.0138 173.5965 8 E 4.7088 8.6582 117.7498 54.2572 31.5497 175.9565 9 I 4.6008 8.0634 123.4781 58.9032 39.0798 173.1738 10 P 4.6758 0.0000 0.0000 62.6011 32.1464 175.3672 11 R 4.5308 8.2137 116.4337 55.5453 34.3879 176.6554 12 N 4.0007 7.6435 114.6582 54.8826 35.3353 173.6677 13 K 4.6393 8.0612 118.0715 54.7161 36.9418 175.5915 14 R 5.1520 8.1976 115.1184 55.0252 30.8282 177.7801 15 V 3.4730 8.5248 116.1932 64.7389 31.3938 178.2040 16 D 4.3984 8.1225 117.1022 56.0824 39.0719 177.9265 17 V 3.9276 8.2942 118.9618 64.9532 31.8847 176.4930 18 A 3.4930 8.3227 118.0687 54.7010 17.5717 179.8721 19 L 3.8621 7.4629 118.3423 57.3366 42.5321 178.7258 20 T 4.3050 7.4782 113.9310 66.5814 68.5714 175.8042 21 Y 4.8391 9.0451 116.5896 58.3330 37.4604 175.4564 22 I 5.6064 8.0101 120.3299 58.5177 40.4885 174.5093 23 Y 4.0809 8.7755 125.4978 60.0121 38.6139 175.6327 24 G 3.7549 8.4276 116.2167 45.2407 0.0000 172.8372 25 I 4.1668 7.8285 121.2785 59.6472 38.2072 174.1580 26 G 4.5370 7.9997 119.1675 44.9948 0.0000 173.9727 27 K 3.8089 8.6040 118.6308 59.8154 32.3963 178.4369 28 A 4.0692 8.1597 120.9267 54.3292 17.9111 178.8427 29 R 4.0864 7.9932 119.8549 58.6434 30.8312 178.5839 30 A 4.2040 7.4794 120.7037 55.2134 17.7087 179.4426 31 K 4.1842 8.1086 115.1044 58.0411 32.0745 178.6099 32 E 4.2973 8.2450 118.8918 56.9940 31.0334 176.1188 33 A 4.7485 7.6875 121.3209 50.2905 18.2495 175.1878 34 L 5.0778 7.3505 119.6839 55.7390 49.5258 177.7768 35 E 4.1994 7.5430 112.4852 57.1989 30.1172 177.2648 36 K 4.2283 7.6625 117.0098 56.6188 34.5122 177.2084 37 T 3.8431 7.5519 108.8635 63.7808 69.4946 174.1241 38 G 3.9019 9.0677 114.1107 44.8932 0.0000 172.0738 39 I 4.3638 7.1366 122.4855 60.2208 41.6010 174.2113 40 N 4.6182 8.5611 122.1044 51.9553 38.8812 173.7336 41 P 4.1717 0.0000 0.0000 65.8142 31.4592 177.6378 42 A 4.0967 8.1607 118.5302 53.7566 18.7236 177.1161 43 T 4.3082 7.7827 107.7497 60.4703 69.7936 175.0443 44 R 4.4859 8.2452 123.5454 56.0146 30.8554 177.6691 45 V 3.5696 8.4466 120.5411 64.4996 31.9178 177.8389 46 K 4.0999 7.7087 118.7039 59.8473 32.7110 176.7555 47 D 4.9218 8.1144 118.7802 49.4504 41.0758 175.4554 48 L 5.0059 8.5746 129.2145 54.8334 41.6117 173.7508 49 T 3.7758 7.5945 118.6027 63.1929 69.9317 174.8860 50 E 3.9669 8.9386 124.4129 59.5215 29.5692 179.6237 51 A 4.0798 7.9123 120.3494 54.9772 18.4650 179.0188 52 E 3.8580 8.2508 116.7639 59.7683 29.2207 179.5301 53 V 3.5756 7.4383 117.5623 66.2456 30.7671 177.9919 54 V 3.5786 7.3380 116.2937 66.0962 31.3250 177.7693 55 R 4.6110 8.7098 118.7519 59.8607 29.7299 177.4296 56 L 4.1595 8.2417 121.0114 56.9907 42.1075 178.1924 57 R 3.9161 9.4354 119.0345 60.3523 30.1674 177.9374 58 E 3.8771 9.7025 117.8085 59.9109 29.3393 178.2805 59 Y 3.9636 8.1805 118.3945 61.9807 38.2266 178.6089 60 V 3.1498 8.4394 115.8935 67.1668 31.3143 177.5593 61 E 3.9593 8.2359 121.1548 59.5678 30.0728 178.6571 62 N 4.3126 8.3476 115.6711 57.4726 39.1688 175.8766 63 T 2.9488 7.6700 111.7482 65.7950 69.6683 177.7419 64 W 4.8195 4.9900 122.3414 55.9855 28.0076 180.1680 65 K 4.2215 8.9806 115.5448 57.3189 32.2148 172.2034 66 L 3.8097 8.1810 128.9844 55.4894 38.5401 173.2668 67 E 4.1405 8.7063 124.6126 53.5510 33.5442 181.3517 68 G 3.7147 10.3348 114.8682 45.7915 0.0000 174.9611 69 E 5.5276 9.4239 114.5386 53.3152 30.7998 175.0617 70 L 4.0531 8.5175 124.8878 57.6281 41.7907 178.8010 71 R 4.0332 8.2186 120.0494 59.5717 30.2786 177.9729 72 A 4.1659 9.1829 121.3682 54.5782 18.4597 179.0719 73 E 3.9142 8.6657 118.3194 59.8813 29.6500 179.3172 74 V 3.4895 7.6763 117.6594 66.7432 31.8671 176.6795 75 A 3.8862 8.1756 118.5994 55.0268 17.7133 180.2015 76 A 3.7562 7.2697 115.9592 54.3868 19.5976 178.9134 77 N 4.2077 8.0033 114.7567 56.9463 38.4949 177.4311 78 I 3.6331 7.3419 119.5470 64.4128 37.5512 178.1760 79 K 4.0100 8.2789 119.4740 59.7701 31.9369 179.0133 80 R 3.9123 9.4080 118.6564 59.7408 29.7698 178.4009 81 L 3.9728 8.2791 118.7682 57.7584 41.2728 179.1232 82 M 3.8878 8.6954 118.4126 56.5380 32.4445 178.5643 83 D 4.0484 8.1995 108.6954 52.5388 43.0354 178.0552 84 I 4.0028 8.6878 119.3599 61.5367 37.8910 175.2610 85 G 4.2166 9.9137 110.9607 45.4692 0.0000 174.6136 86 C 4.1318 8.6460 114.2514 58.7764 31.6191 171.7161 87 Y 4.0820 8.8478 120.6054 61.9830 37.9950 178.6136 88 R 3.8942 8.2390 120.8242 59.1759 28.9544 178.7358 89 G 3.8523 7.4101 105.7504 48.8988 0.0000 173.9333 90 L 4.3628 7.9622 123.4379 54.5553 43.9591 176.7701 91 R 4.1168 8.6073 123.0403 59.0819 28.8470 178.3249 92 H 3.8572 7.8641 113.7549 58.7966 29.1636 178.1622 93 R 3.8638 7.4164 116.4097 59.1685 29.8528 177.5493 94 R 4.2566 8.0109 114.3200 55.1936 30.1341 175.6394 95 G 4.0095 7.3945 103.6417 47.1164 0.0000 173.5766 96 L 4.7625 8.3551 118.1976 51.0927 44.8377 175.1791 97 P 4.0709 0.0000 0.0000 63.4253 31.0908 176.1042 98 V 4.2372 8.2174 122.8616 61.3067 32.6610 175.6197 99 R 4.4301 8.3330 127.4124 57.7637 31.2468 176.8430 100 G 3.7870 7.9123 98.4562 46.9737 0.0000 170.9270 101 Q 4.4009 7.9320 128.3188 54.6528 32.2778 175.6927 102 R 4.4415 8.2505 116.9692 55.3415 29.0399 176.9415 103 T 3.9695 8.2000 113.2933 64.0493 69.3225 176.2750 104 R 4.0216 8.2031 122.2040 59.1420 30.4168 176.2886 105 T 4.1887 7.2549 104.7632 62.3888 69.8321 179.1854 106 N 4.6166 8.4170 119.0852 53.4627 38.7634 176.0012 107 A 3.7972 8.9692 128.8633 53.8111 15.9312 179.6752 108 R 4.0296 7.8924 116.9486 59.6904 30.2881 178.2489 109 T 4.0925 7.8628 114.2034 65.6725 68.7266 175.5375 110 R 4.3656 7.7553 118.0321 56.6075 31.4164 176.8502 111 K 4.2257 8.0113 117.1918 55.2776 32.7358 176.9653 112 G 3.5186 8.5582 110.7335 45.9413 0.0000 170.9650 113 P 3.7008 0.0000 0.0000 63.4791 31.1347 175.0349 114 R 4.1566 8.3490 121.2995 55.2844 29.0381 177.1280 115 K 4.4541 8.5162 125.5042 58.1268 31.0610 177.8003 116 T 2.9660 7.6168 109.5265 63.6034 69.1682 173.0708 117 V 3.4200 8.9157 128.6962 62.1503 33.3476 170.3404 118 A 4.2539 7.4178 125.6327 52.6632 21.7971 174.2993 119 G 3.9781 7.6969 102.9179 46.8412 0.0000 173.3456 120 K 4.2378 7.9462 120.3518 55.5193 33.4398 176.8786 121 K 4.7312 8.2424 119.5359 54.5514 35.9626 175.9561 122 K 4.5479 8.3450 119.9269 53.9797 34.9271 176.2579 123 A 4.0782 8.6374 126.5833 51.9504 18.9447 175.6640 124 P 4.3472 0.0000 0.0000 66.0319 32.2598 178.2761 125 R 4.1092 7.7280 119.9174 56.0460 27.7492 177.3680 *126 K 4.1215 7.7004 122.3994 54.7657 32.4047 177.3870 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 A 8.26 4.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.17 0.00 1.91 1.97 0.00 3.27 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 4 I 8.81 3.89 1.93 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 1.55 0.78 0.97 0.00 0.00 5 A 7.50 4.69 1.29 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 0.00 0.00 0.00 6 G 8.35 3.27 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 7 V 8.65 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 0.88 0.00 0.00 0.94 0.00 0.00 8 E 8.66 4.71 0.00 2.08 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 2.28 0.00 9 I 8.06 4.60 1.91 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 1.50 0.46 0.97 0.00 0.00 10 P 0.00 4.68 0.00 2.11 2.07 0.00 3.76 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 2.00 2.00 0.00 11 R 8.21 4.53 0.00 1.87 1.84 0.00 3.16 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 12 N 7.64 4.00 0.00 2.78 3.08 0.00 0.00 6.62 7.61 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 13 K 8.06 4.64 0.00 1.72 1.59 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.46 7.81 14 R 8.20 5.15 0.00 2.30 2.03 0.00 3.15 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 15 V 8.52 3.47 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 0.92 0.00 0.00 0.92 0.00 0.00 16 D 8.12 4.40 0.00 2.81 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 17 V 8.29 3.93 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 0.87 0.00 0.00 0.88 0.00 0.00 18 A 8.32 3.49 1.18 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 19 L 7.46 3.86 0.00 1.69 1.78 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.48 4.30 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 1.32 0.00 0.00 21 Y 9.05 4.84 0.00 2.84 2.95 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 22 I 8.01 5.61 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.66 1.09 0.00 0.00 23 Y 8.78 4.08 0.00 3.01 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 24 G 8.43 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 25 I 7.83 4.17 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.97 0.00 0.00 26 G 8.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 3.81 0.00 1.87 1.80 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.56 7.81 28 A 8.16 4.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.99 4.09 0.00 1.64 1.98 0.00 2.68 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.37 0.00 30 A 7.48 4.20 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 31 K 8.11 4.18 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 32 E 8.25 4.30 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.74 0.00 33 A 7.69 4.75 1.64 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 0.00 0.00 34 L 7.35 5.08 0.00 1.81 1.62 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.54 4.20 0.00 2.06 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 0.00 2.43 2.21 0.00 36 K 7.66 4.23 0.00 0.79 1.15 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.26 7.81 37 T 7.55 3.84 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 0.99 0.00 0.00 38 G 9.07 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 0.00 0.00 0.00 39 I 7.14 4.36 1.86 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 1.45 0.36 0.90 0.00 0.00 40 N 8.56 4.62 0.00 2.78 2.70 0.00 0.00 6.99 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 41 P 0.00 4.17 0.00 2.07 2.12 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 42 A 8.16 4.10 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 43 T 7.78 4.31 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 1.22 0.00 0.00 44 R 8.25 4.49 0.00 2.02 1.88 0.00 3.26 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 45 V 8.45 3.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 46 K 7.71 4.10 0.00 1.87 2.08 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.37 7.81 47 D 8.11 4.92 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.57 5.01 0.00 2.00 1.72 0.92 0.76 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 49 T 7.59 3.78 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 1.25 0.00 0.00 50 E 8.94 3.97 0.00 1.97 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 2.40 2.33 0.00 51 A 7.91 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.86 0.00 2.21 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 2.40 2.38 0.00 53 V 7.44 3.58 2.28 0.00 0.00 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 0.99 0.00 0.00 54 V 7.34 3.58 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 0.94 0.00 0.00 0.98 0.00 0.00 55 R 8.71 4.61 0.00 1.86 2.05 0.00 3.12 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 56 L 8.24 4.16 0.00 1.98 1.78 0.99 1.13 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 R 9.44 3.92 0.00 1.76 2.15 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 58 E 9.70 3.88 0.00 2.26 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 2.43 2.49 0.00 59 Y 8.18 3.96 0.00 3.01 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 60 V 8.44 3.15 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 1.12 0.00 0.00 1.09 0.00 0.00 61 E 8.24 3.96 0.00 2.04 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 2.33 2.36 0.00 62 N 8.35 4.31 0.00 2.68 2.72 0.00 0.00 7.29 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.67 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 64 W 4.99 4.82 0.00 3.34 2.97 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 65 K 8.98 4.22 0.00 1.91 1.92 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.49 7.81 66 L 8.18 3.81 0.00 1.99 2.07 1.20 1.07 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 67 E 8.71 4.14 0.00 2.08 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 2.30 2.32 0.00 68 G 10.33 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 69 E 9.42 5.53 0.00 2.06 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 2.10 2.07 0.00 70 L 8.52 4.05 0.00 1.91 1.84 0.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.22 4.03 0.00 1.02 1.85 0.00 2.95 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 72 A 9.18 4.17 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 73 E 8.67 3.91 0.00 2.28 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 2.32 2.33 0.00 74 V 7.68 3.49 2.23 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 1.04 0.00 0.00 1.10 0.00 0.00 75 A 8.18 3.89 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 76 A 7.27 3.76 1.34 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 0.00 0.00 77 N 8.00 4.21 0.00 2.87 2.90 0.00 0.00 7.13 8.72 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 78 I 7.34 3.63 2.00 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 1.56 0.63 0.95 0.00 0.00 79 K 8.28 4.01 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.59 7.81 80 R 9.41 3.91 0.00 1.97 2.18 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 81 L 8.28 3.97 0.00 1.83 1.62 0.77 0.64 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 82 M 8.70 3.89 0.00 2.21 2.08 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 2.61 2.68 0.00 83 D 8.20 4.05 0.00 2.88 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 0.00 0.00 0.00 0.00 84 I 8.69 4.00 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 1.35 0.84 0.92 0.00 0.00 85 G 9.91 4.22 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 0.00 86 C 8.65 4.13 0.00 3.20 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 87 Y 8.85 4.08 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.89 0.00 1.93 1.98 0.00 3.31 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 89 G 7.41 3.85 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 0.00 0.00 0.00 90 L 7.96 4.36 0.00 1.58 1.52 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.61 4.12 0.00 1.88 2.06 0.00 3.07 0.00 0.00 2.71 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 0.00 92 H 7.86 3.86 0.00 3.46 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.42 3.86 0.00 1.64 1.97 0.00 3.36 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 94 R 8.01 4.26 0.00 1.71 1.88 0.00 3.42 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 95 G 7.39 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 0.00 0.00 0.00 96 L 8.36 4.76 0.00 1.47 1.53 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.07 0.00 2.17 2.09 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 98 V 8.22 4.24 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 0.72 0.00 0.00 1.04 0.00 0.00 99 R 8.33 4.43 0.00 1.80 1.83 0.00 3.32 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 100 G 7.91 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 0.00 101 Q 7.93 4.40 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 102 R 8.25 4.44 0.00 1.87 1.89 0.00 3.13 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 103 T 8.20 3.97 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 0.00 104 R 8.20 4.02 0.00 1.79 2.03 0.00 3.22 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 105 T 7.25 4.19 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 0.00 106 N 8.42 4.62 0.00 2.71 2.63 0.00 0.00 6.88 7.35 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 0.00 107 A 8.97 3.80 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 0.00 108 R 7.89 4.03 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 109 T 7.86 4.09 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 1.20 0.00 0.00 110 R 7.76 4.37 0.00 1.76 1.94 0.00 3.16 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 111 K 8.01 4.23 0.00 1.82 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 G 8.56 3.52 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 0.00 113 P 0.00 3.70 0.00 2.27 2.08 0.00 3.76 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 1.90 1.95 0.00 114 R 8.35 4.16 0.00 1.82 1.95 0.00 3.21 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 115 K 8.52 4.45 0.00 1.74 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.62 7.81 116 T 7.62 2.97 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 0.00 117 V 8.92 3.42 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 0.73 0.00 0.00 1.00 0.00 0.00 118 A 7.42 4.25 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 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 0.00 120 K 7.95 4.24 0.00 1.76 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 121 K 8.24 4.73 0.00 1.68 1.65 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.58 7.81 122 K 8.34 4.55 0.00 1.69 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.39 7.81 123 A 8.64 4.08 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.35 0.00 2.19 2.19 0.00 3.77 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 1.98 1.98 0.00 125 R 7.73 4.11 0.00 1.82 1.95 0.00 3.24 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *126 K 7.70 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.