NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 Y 4.6106 8.1449 121.6907 57.1983 39.9003 174.0888 17 K 3.9343 7.8127 125.9370 53.2544 34.4379 174.3446 18 T 3.7059 8.8313 119.8862 62.7684 68.6545 173.0489 19 K 4.6275 8.4317 123.4180 55.7045 34.5719 178.1213 20 L 4.4140 7.7390 120.0441 57.7494 42.1449 178.5843 21 Y 4.2855 8.4283 119.6216 60.7551 38.6253 178.1102 22 L 3.9404 7.8312 118.0320 56.6777 41.8559 178.4419 23 W 4.2585 7.7992 118.2495 59.6211 29.2532 177.8874 24 R 4.0827 7.9078 116.9062 58.7819 29.4658 177.4932 25 N 4.8875 7.5804 112.1804 52.5535 39.1837 174.1206 26 L 3.9677 7.8530 120.9601 54.6926 42.6507 177.6172 27 G 3.8681 8.5672 115.2211 46.1153 0.0000 171.4156 28 G 3.9005 7.6870 104.7426 45.8321 0.0000 171.8349 29 L 4.1804 8.1546 119.4761 54.4288 42.2755 176.8188 30 I 4.0365 8.1521 124.0250 59.9493 37.8024 174.2793 31 P 4.3754 0.0000 0.0000 62.4943 32.0348 176.2293 32 E 4.1372 9.0463 123.1766 59.6807 29.6721 180.3372 33 D 4.5128 8.0222 116.0633 53.6001 39.1430 178.0390 *35 A 4.2484 8.2097 123.3153 53.2800 20.6130 179.9606 36 I 3.7854 8.0535 118.2843 63.9337 37.1021 178.3318 37 S 4.0886 8.3508 114.3245 61.5651 62.1791 176.6470 38 V 3.5570 7.7213 120.2470 66.3100 31.5894 177.9272 39 T 3.9316 7.7775 109.0921 64.8549 68.3754 176.0476 40 E 4.0587 8.8328 121.9411 59.2781 29.5081 179.5118 41 S 4.1160 8.0496 114.1011 61.4588 63.1013 176.6869 42 I 3.7772 7.7661 123.1532 64.4481 36.8818 178.4874 43 T 3.5677 8.0468 116.3858 66.4308 68.1710 176.5335 44 A 3.7748 8.1275 122.9687 55.0341 18.3232 179.3157 45 D 4.3361 8.1514 117.6114 57.4421 40.9532 179.2436 46 W 4.3418 7.9745 116.5934 59.2894 28.1617 178.6040 47 K 3.7165 7.3368 119.5312 59.3003 31.1954 179.0905 48 Q 3.9412 8.0779 118.9939 59.0177 29.0185 177.1480 49 Y 4.1660 8.0445 119.8965 60.8190 38.9606 177.5838 50 N 4.4836 8.3833 115.9081 55.8272 40.2918 176.1678 51 D 4.5600 7.9916 120.6069 54.6611 37.2722 176.2634 *54 S 4.3476 7.7506 117.5683 58.0709 65.8847 177.3260 55 K 3.9058 8.3219 120.7631 59.0544 31.7450 179.3665 56 V 3.5395 7.6758 117.9647 66.1341 31.4814 178.1423 57 R 3.9003 7.8482 117.1199 59.2781 30.0465 178.5764 58 N 4.3189 8.3319 116.3829 56.4462 38.5627 177.3052 59 E 3.9664 8.2505 119.8245 59.7053 29.4551 179.6466 60 T 3.8119 7.8273 115.5918 66.6593 68.5597 176.7465 61 L 3.9508 8.4157 121.2208 57.8730 41.6051 179.4331 62 D 4.3539 7.9596 118.3500 57.4351 40.7848 178.8742 63 I 3.6730 7.6615 120.3025 64.3396 37.0949 178.5589 64 L 3.6772 8.0038 120.1803 57.3267 41.1628 179.5512 65 K 4.0068 8.0986 119.6689 59.8198 31.9823 178.9245 66 T 3.8883 7.6977 114.7648 66.5511 68.4656 175.3430 67 N 4.6421 7.8007 114.8796 51.9063 38.9683 175.0280 68 K 3.8572 7.7786 118.8132 57.0255 30.4558 175.8165 69 V 3.6768 7.6890 117.3797 62.4161 32.2808 175.5112 70 A 4.2675 8.6677 129.8323 52.5467 18.5117 178.5584 71 T 3.9588 8.5069 110.8909 64.0836 69.2841 176.6829 72 E 4.1038 8.2764 121.0228 58.8509 29.9246 177.7101 73 D 4.7937 8.1896 117.4040 54.8829 41.2122 177.9325 74 Y 4.0843 8.0639 117.7678 61.0990 37.8458 178.1003 75 I 3.7967 8.1197 119.1293 64.1117 38.0130 177.7352 76 G 3.5731 8.0983 105.8197 48.3446 0.0000 175.1252 77 Y 4.1400 7.7946 119.2865 60.3313 37.8624 178.3928 78 I 3.8154 8.2327 121.1016 64.0054 37.2295 178.1610 79 A 3.9886 8.2038 121.8882 55.0204 18.1394 179.4557 80 F 3.0927 7.7560 118.8244 61.0357 39.3082 177.1630 81 A 3.7180 8.0343 120.3585 55.1593 18.0747 179.5516 82 E 3.8098 8.1321 117.0111 59.4529 29.5890 179.1276 83 E 3.9521 8.2007 119.4583 59.0016 29.6230 178.7029 84 L 3.7255 7.8170 120.3532 58.0254 42.0767 178.5272 85 A 3.9426 7.9195 120.8950 55.6392 18.2318 179.0436 86 H 4.2739 8.5561 116.8163 59.6919 29.8846 177.5824 87 Q 4.0337 8.1932 119.9072 58.8422 28.5501 178.6536 88 V 3.8270 8.2190 121.1638 65.0246 31.5686 177.8704 89 W 4.0450 8.5718 128.4208 60.3709 30.6177 177.7654 90 K 3.3704 8.2722 119.5228 59.5680 31.7340 178.4301 91 N 4.2786 8.2754 116.7662 56.1039 38.1791 177.3689 92 K 3.8648 7.6140 120.3499 59.2669 32.3316 178.2040 93 N 4.1931 7.3541 116.2917 55.9150 38.8915 175.6563 94 S 4.4780 7.4931 113.9259 59.1596 65.3179 174.9446 95 S 4.2077 7.6244 114.9029 57.3633 62.4069 172.3265 96 P 4.4421 0.0000 0.0000 64.6377 31.3800 176.5115 97 D 4.6790 7.7648 118.8802 51.1334 41.9819 173.2761 98 P 4.2537 0.0000 0.0000 64.9495 31.5280 177.3293 99 N 4.3615 8.0925 115.5412 56.8805 39.0876 176.9441 100 T 3.8708 8.0582 116.5288 66.6618 68.6147 176.3688 101 A 4.0801 7.7762 122.0279 55.0609 18.2771 179.5048 102 N 4.4020 8.3008 115.3738 56.6097 38.6545 177.5088 103 E 4.0651 8.1884 119.8920 59.1582 29.4433 179.3028 104 A 4.0310 8.0111 120.6757 55.2091 18.4092 179.8412 105 S 4.1172 8.3284 113.8102 61.4909 62.8518 176.7350 106 K 4.0320 8.4897 122.6343 59.9149 31.9685 178.8786 107 T 3.8444 7.9495 115.7515 66.6471 68.4290 176.0464 108 D 4.3354 8.2766 119.7998 57.6508 41.2735 178.4083 109 L 4.3745 8.5506 119.8300 57.8696 41.6401 179.3856 110 E 4.0618 8.8203 119.1786 59.3308 29.3837 179.4568 111 S 4.2350 8.2558 114.3671 60.8532 63.1486 176.4442 112 K 3.8614 8.2123 123.3251 59.8866 32.0330 178.5004 113 Y 4.1547 8.6044 117.3611 60.4500 37.8088 178.4550 114 S 4.5134 8.0298 116.8843 61.1175 63.2545 176.3656 115 D 4.3038 7.9406 121.7758 56.3356 40.6961 178.4724 116 V 3.6257 7.7108 117.6205 64.8636 31.8552 176.7564 117 Y 4.5669 7.5912 112.3070 56.7007 38.5649 176.1435 118 G 3.9061 7.8475 107.6278 46.1326 0.0000 174.2327 119 L 4.1427 7.8027 119.7739 53.8368 42.5248 175.6935 120 D 4.6831 8.8992 120.3552 53.5687 42.0128 177.4535 121 V 3.6077 8.4683 127.1829 66.2869 31.4599 177.9213 122 T 3.8906 8.1643 109.6850 64.6333 68.6534 176.9341 123 V 3.5269 7.6963 120.6774 65.7133 31.6070 177.9090 124 L 3.9624 8.0167 118.8738 57.5380 41.3264 179.0694 125 D 4.5147 8.3757 118.9208 57.4309 40.8449 178.6788 126 A 4.0370 7.8040 120.8665 55.2621 18.3373 179.6105 127 I 3.6836 7.8697 118.2397 64.7185 37.3713 177.7606 128 Y 4.0429 8.6689 120.6382 61.1231 38.4022 178.0912 129 N 4.4037 8.7253 115.8465 56.2745 37.3879 177.0519 130 A 4.0978 8.1636 122.1648 55.1357 18.6713 179.9324 131 V 3.6393 8.0604 117.2406 65.8910 31.3313 178.0666 132 I 3.4679 6.9798 118.2998 64.1443 37.0555 176.2003 133 P 4.3464 0.0000 0.0000 65.4990 31.1880 178.4368 134 I 3.8828 6.9027 115.8903 64.4131 37.1361 178.6386 135 I 3.9722 7.2522 117.2059 61.6957 36.5506 176.5791 *137 G 3.7195 8.1292 115.3328 45.9081 0.0000 173.4673 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 16 Y 8.14 4.61 0.00 2.95 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 17 K 7.81 3.93 0.00 1.62 1.52 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.35 7.81 18 T 8.83 3.71 4.28 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 1.19 0.00 0.00 19 K 8.43 4.63 0.00 1.81 1.69 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.57 7.81 20 L 7.74 4.41 0.00 1.72 1.94 1.04 0.96 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 21 Y 8.43 4.29 0.00 3.03 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 22 L 7.83 3.94 0.00 1.58 1.51 0.85 0.85 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 23 W 7.80 4.26 0.00 3.49 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.91 4.08 0.00 1.59 1.90 0.00 3.13 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 25 N 7.58 4.89 0.00 2.50 2.72 0.00 0.00 6.84 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 26 L 7.85 3.97 0.00 1.67 1.59 0.76 0.97 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 27 G 8.57 3.87 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 0.00 0.00 0.00 28 G 7.69 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 29 L 8.15 4.18 0.00 1.66 1.62 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.15 4.04 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 1.42 0.47 0.92 0.00 0.00 31 P 0.00 4.38 0.00 2.04 2.00 0.00 3.69 0.00 0.00 3.82 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 32 E 9.05 4.14 0.00 2.03 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 2.41 2.31 0.00 33 D 8.02 4.51 0.00 2.82 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 *35 A 8.21 4.25 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 36 I 8.05 3.79 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 1.40 1.10 0.92 0.00 0.00 37 S 8.35 4.09 0.00 3.99 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 38 V 7.72 3.56 2.22 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 1.05 0.00 0.00 0.94 0.00 0.00 39 T 7.78 3.93 4.28 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 1.23 0.00 0.00 40 E 8.83 4.06 0.00 2.18 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 2.32 2.43 0.00 41 S 8.05 4.12 0.00 4.08 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 42 I 7.77 3.78 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 1.03 0.00 0.00 43 T 8.05 3.57 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 0.94 0.00 0.00 44 A 8.13 3.77 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 45 D 8.15 4.34 0.00 2.93 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 46 W 7.97 4.34 0.00 3.54 3.25 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 0.00 47 K 7.34 3.72 0.00 1.64 1.62 0.00 1.31 0.00 0.00 1.29 0.00 0.00 2.67 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.46 7.81 48 Q 8.08 3.94 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 49 Y 8.04 4.17 0.00 3.03 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.38 4.48 0.00 3.02 2.98 0.00 0.00 7.06 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 51 D 7.99 4.56 0.00 2.88 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 *54 S 7.75 4.35 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.32 3.91 0.00 1.84 1.86 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.44 1.54 7.81 56 V 7.68 3.54 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 1.00 0.00 0.00 0.86 0.00 0.00 57 R 7.85 3.90 0.00 2.01 1.96 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 58 N 8.33 4.32 0.00 2.89 2.86 0.00 0.00 7.07 7.99 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 59 E 8.25 3.97 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 60 T 7.83 3.81 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 1.18 0.00 0.00 61 L 8.42 3.95 0.00 1.66 1.79 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.96 4.35 0.00 2.97 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 63 I 7.66 3.67 1.92 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 1.48 0.79 0.78 0.00 0.00 64 L 8.00 3.68 0.00 1.39 1.05 0.12 0.11 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 65 K 8.10 4.01 0.00 2.03 1.94 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 66 T 7.70 3.89 4.39 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 1.19 0.00 0.00 67 N 7.80 4.64 0.00 2.66 2.74 0.00 0.00 7.18 7.64 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 68 K 7.78 3.86 0.00 1.83 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.36 7.81 69 V 7.69 3.68 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 0.79 0.00 0.00 0.60 0.00 0.00 70 A 8.67 4.27 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 71 T 8.51 3.96 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 0.98 0.00 0.00 72 E 8.28 4.10 0.00 2.03 2.12 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 2.35 2.42 0.00 73 D 8.19 4.79 0.00 3.13 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 74 Y 8.06 4.08 0.00 3.18 3.10 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 75 I 8.12 3.80 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 1.59 1.44 0.95 0.00 0.00 76 G 8.10 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 77 Y 7.79 4.14 0.00 2.95 2.91 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 78 I 8.23 3.82 2.00 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 1.67 1.31 0.93 0.00 0.00 79 A 8.20 3.99 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.76 3.09 0.00 1.55 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 81 A 8.03 3.72 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.13 3.81 0.00 2.05 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 2.26 2.43 0.00 83 E 8.20 3.95 0.00 2.15 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 0.00 2.40 2.40 0.00 84 L 7.82 3.73 0.00 1.07 1.34 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.92 3.94 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 86 H 8.56 4.27 0.00 3.30 3.52 0.00 5.61 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 87 Q 8.19 4.03 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 88 V 8.22 3.83 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 1.08 0.00 0.00 0.90 0.00 0.00 89 W 8.57 4.05 0.00 3.50 3.48 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 90 K 8.27 3.37 0.00 2.02 2.00 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.41 7.81 91 N 8.28 4.28 0.00 2.93 2.81 0.00 0.00 6.69 6.53 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 92 K 7.61 3.86 0.00 1.78 1.76 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.37 7.81 93 N 7.35 4.19 0.00 1.76 2.08 0.00 0.00 7.07 7.51 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 94 S 7.49 4.48 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.62 4.21 0.00 3.82 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 96 P 0.00 4.44 0.00 2.20 2.14 0.00 3.77 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 1.97 1.93 0.00 97 D 7.76 4.68 0.00 2.66 2.51 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 98 P 0.00 4.25 0.00 2.17 2.13 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 99 N 8.09 4.36 0.00 2.84 2.82 0.00 0.00 7.22 7.22 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 0.00 100 T 8.06 3.87 4.33 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 1.22 0.00 0.00 101 A 7.78 4.08 1.41 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 0.00 0.00 0.00 102 N 8.30 4.40 0.00 3.03 3.06 0.00 0.00 6.92 7.28 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 0.00 103 E 8.19 4.07 0.00 2.12 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 0.00 2.53 2.49 0.00 104 A 8.01 4.03 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 0.00 105 S 8.33 4.12 0.00 4.18 4.04 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 0.00 106 K 8.49 4.03 0.00 1.66 1.86 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.62 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.22 1.15 7.81 107 T 7.95 3.84 4.39 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 1.22 0.00 0.00 108 D 8.28 4.34 0.00 2.90 2.74 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 0.00 109 L 8.55 4.37 0.00 2.07 2.13 0.97 1.04 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 0.00 110 E 8.82 4.06 0.00 2.22 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 2.32 2.69 0.00 111 S 8.26 4.24 0.00 4.10 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 0.00 112 K 8.21 3.86 0.00 1.92 2.19 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.05 1.41 7.81 113 Y 8.60 4.15 0.00 3.13 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 0.00 114 S 8.03 4.51 0.00 4.07 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 0.00 115 D 7.94 4.30 0.00 2.82 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 0.00 116 V 7.71 3.63 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.77 0.00 0.00 117 Y 7.59 4.57 0.00 3.11 2.94 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 0.00 118 G 7.85 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 0.00 0.00 0.00 119 L 7.80 4.14 0.00 1.86 1.37 0.77 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.90 4.68 0.00 2.82 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 0.00 121 V 8.47 3.61 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 1.09 0.00 0.00 0.92 0.00 0.00 122 T 8.16 3.89 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 0.00 123 V 7.70 3.53 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 0.46 0.00 0.00 0.83 0.00 0.00 124 L 8.02 3.96 0.00 1.67 1.07 0.63 0.02 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 0.00 125 D 8.38 4.51 0.00 2.89 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 0.00 126 A 7.80 4.04 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 0.00 127 I 7.87 3.68 2.35 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 1.45 0.76 1.09 0.00 0.00 128 Y 8.67 4.04 0.00 3.34 3.28 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 0.00 129 N 8.73 4.40 0.00 2.92 2.93 0.00 0.00 7.10 7.34 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 0.00 130 A 8.16 4.10 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 0.00 131 V 8.06 3.64 1.90 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 0.88 0.00 0.00 0.90 0.00 0.00 132 I 6.98 3.47 1.59 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.24 0.81 0.00 0.00 133 P 0.00 4.35 0.00 1.98 2.09 0.00 3.72 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 2.07 2.14 0.00 134 I 6.90 3.88 1.98 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 1.49 0.51 0.87 0.00 0.00 135 I 7.25 3.97 1.86 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 1.38 0.73 1.02 0.00 0.00 *137 G 8.13 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.