NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4608 8.3049 120.3501 55.9290 32.1540 175.9044 2 I 4.3774 8.1424 116.6372 59.7078 37.8466 175.3071 3 R 3.9059 8.4801 124.5136 59.4951 30.6592 173.2017 4 E 4.1542 7.0954 116.7209 55.7304 28.0782 175.3325 5 E 5.0291 7.6197 129.2966 55.5858 31.7434 179.2346 6 R 4.5160 6.7581 113.5944 54.3736 29.7935 176.7423 7 L 4.0810 7.8109 122.6562 58.1607 42.4247 177.8303 8 L 4.1280 7.9298 118.4363 58.8283 40.0052 179.0865 9 K 4.6042 7.8103 118.6937 55.4125 32.9573 177.5040 10 V 3.7982 8.2819 112.5248 64.0381 31.9739 177.5653 11 L 4.5260 7.6692 117.5582 57.0093 43.2910 175.1520 12 R 4.4716 7.8254 127.8148 57.9725 35.8146 178.8782 13 A 4.5906 8.4935 117.3649 50.2232 20.7327 175.3784 14 P 4.6763 0.0000 0.0000 62.8908 32.3619 175.5543 15 H 4.4939 8.8656 118.8481 56.4623 31.1975 172.8285 16 V 3.2092 7.9879 120.4783 60.5831 31.2504 172.8633 17 S 4.7713 8.0488 115.4446 58.7856 66.2618 175.7697 18 E 3.8789 7.0340 115.2722 59.7611 29.9944 179.0331 19 K 3.6801 8.2297 116.9638 59.6980 32.4782 177.4027 20 A 4.2697 6.9470 116.8456 52.7541 18.9136 175.7943 21 S 4.1184 8.5478 116.9889 60.3055 61.0922 174.0250 22 T 4.0229 7.3926 106.6201 63.2958 69.0418 175.5003 23 A 4.0977 7.6418 125.7252 55.8327 18.7671 178.9749 24 M 4.6317 7.6649 115.2053 55.1639 31.0721 174.8573 25 E 4.7021 7.8259 123.6223 56.4346 29.9658 177.1761 26 K 4.1959 7.8592 112.8169 57.6978 34.0896 174.3669 27 S 4.8012 7.3865 113.1787 55.9771 66.0341 174.4173 28 N 4.8958 8.4049 120.4339 53.2141 35.5935 176.3480 29 T 4.5958 7.5849 108.9886 61.0363 69.8657 175.4696 30 I 4.1307 7.6022 130.6839 62.1338 40.0727 173.4411 31 V 4.0090 8.2662 110.5200 59.6496 33.2694 174.9535 32 L 4.2115 9.5398 135.0000 53.9958 39.1992 173.3233 33 K 5.0195 8.3183 122.0784 56.7210 31.6630 176.7450 34 V 4.0319 8.2152 126.3949 62.4905 32.3532 175.3432 35 A 4.2298 8.3419 127.8402 51.6255 19.0899 178.7023 36 K 3.6177 8.9065 118.9449 59.9827 32.7896 178.3570 37 D 4.6349 7.3653 118.4226 53.7169 38.6629 175.4276 38 A 3.8677 7.1831 123.3770 49.3570 19.3463 174.9591 39 T 3.2791 7.9865 119.6339 60.2751 68.7421 172.8488 40 K 3.9244 8.7484 126.5770 59.9875 31.9770 178.1213 41 A 4.3357 8.1163 120.1039 55.2913 18.0962 178.5523 42 E 4.0274 8.2987 116.0061 57.8789 28.5806 177.9435 43 I 4.3139 7.5834 118.3003 63.3750 38.4603 177.5544 44 K 4.1330 9.1373 121.2015 59.2155 32.0199 178.4714 45 A 4.4829 7.9101 119.9290 54.1317 18.8505 178.4803 46 A 4.2374 7.1809 114.3566 52.7915 18.6420 178.4551 47 V 4.4573 7.4550 115.0857 62.0451 33.9411 176.1269 48 Q 4.5029 7.8510 119.6563 57.4073 30.2031 176.3408 49 K 4.8654 7.7122 118.5064 55.0748 31.9352 175.8082 50 L 4.5729 7.6522 120.0697 55.7720 48.7407 174.8007 51 F 4.5333 8.1007 113.5992 56.3462 39.2389 175.1553 52 E 3.9008 8.3193 118.4294 57.4882 26.8561 174.4992 53 V 4.3945 7.3223 110.3597 59.4101 34.4673 175.6924 54 E 4.1599 8.8649 124.5515 56.0112 29.1480 176.3663 55 V 4.3401 8.1239 123.6030 61.4743 33.5732 174.8712 56 E 4.5112 8.0533 123.1663 57.7928 31.1218 176.8775 57 V 4.4514 7.1370 109.0772 60.3602 35.6044 172.6682 58 V 4.9301 8.0028 120.0507 61.5649 34.8907 174.3544 59 N 4.7354 8.3579 116.9496 54.7526 41.7157 173.1639 60 T 4.0841 8.2879 110.7609 61.1973 70.4598 171.2416 61 L 4.5938 8.5006 125.4899 54.0363 42.2684 176.1191 62 V 4.4020 7.6641 114.8463 59.4074 39.4681 173.1715 63 V 3.3783 7.8664 124.9296 62.5412 32.2124 171.4454 64 K 4.7964 8.1971 121.4280 55.4165 36.4142 175.5837 65 G 4.4117 9.5790 109.0748 45.4837 0.0000 172.1822 66 K 4.8893 7.5240 129.5838 56.5798 33.0217 174.3104 67 V 4.7270 7.3682 126.6302 60.7893 35.4919 173.1624 68 K 4.7812 8.1996 117.6013 55.5035 35.4001 175.5195 69 R 4.4227 7.7236 118.6991 56.2781 33.3681 172.8588 70 H 4.6265 8.4528 123.2590 56.0208 32.3707 174.4667 71 G 3.7962 8.3278 109.3929 47.3379 0.0000 174.3911 72 Q 4.2337 8.6978 114.5211 55.4581 29.4757 177.8467 73 R 4.4856 8.9557 128.7658 55.7983 31.6363 174.6876 74 I 4.1548 8.4473 123.0992 59.0317 38.9462 176.7834 75 G 4.1187 7.1578 110.2573 48.0005 0.0000 173.3208 76 R 4.4750 7.8887 120.6948 55.5256 33.2679 172.9973 77 R 4.9309 8.1828 121.6059 56.8611 29.8671 176.2236 78 S 4.5744 9.0757 111.4369 59.2920 70.0800 172.6628 79 D 4.5362 8.5176 124.5294 53.6663 40.3938 172.4446 80 W 4.9837 7.9541 129.8959 57.1450 34.6085 173.0729 81 K 4.3634 9.3983 116.6457 55.9238 34.7301 173.9254 82 K 4.9960 8.5926 127.0774 55.3667 34.2528 175.4902 83 A 4.9549 8.1473 123.6987 50.9325 21.5438 174.3270 84 Y 4.1213 8.8631 113.6411 57.8269 40.1484 175.3153 85 V 4.3169 8.2682 115.5414 60.5457 31.5271 171.5119 86 T 5.2571 7.9974 109.8061 60.3525 72.2640 173.3419 87 L 4.7939 7.9347 120.0106 54.4837 43.6746 180.1666 88 K 4.4706 8.7377 123.7852 55.8066 36.2664 176.2784 89 E 4.3354 9.1729 124.4129 55.9785 28.6847 178.1179 90 G 3.6405 8.9049 109.1925 48.0630 0.0000 175.3964 91 Q 4.2234 8.2427 118.4747 55.3745 30.5937 176.2190 92 N 5.1425 8.1446 118.0298 52.0258 41.0169 175.4747 93 L 4.1562 8.5600 118.4978 56.2193 42.3636 178.7732 94 D 4.2937 7.9331 117.7735 54.5337 40.5831 174.2641 95 F 4.3603 8.5891 127.6607 57.6550 42.2390 172.9886 96 V 4.3625 7.6322 127.1211 61.3304 33.4088 172.5266 97 G 4.0267 8.4518 108.5650 44.4534 0.0000 172.2357 98 G 4.3495 8.4597 112.7125 44.0410 0.0000 172.0893 99 A 4.3420 7.8428 128.2125 51.8630 19.9864 176.9703 *100 E 4.1583 8.9450 115.3684 58.4325 30.4955 174.4822 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 8.30 4.46 0.00 1.98 1.67 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 2.49 2.64 0.00 2 I 8.14 4.38 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 1.30 0.46 0.92 0.00 0.00 3 R 8.48 3.91 0.00 1.81 1.96 0.00 3.38 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 4 E 7.10 4.15 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 5 E 7.62 5.03 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 6 R 6.76 4.52 0.00 1.97 2.11 0.00 2.97 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 7 L 7.81 4.08 0.00 1.64 1.92 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.93 4.13 0.00 1.78 1.84 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.81 4.60 0.00 1.72 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.42 7.81 10 V 8.28 3.80 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 0.95 0.00 0.00 0.99 0.00 0.00 11 L 7.67 4.53 0.00 1.64 1.67 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.83 4.47 0.00 1.85 0.94 0.00 3.21 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 13 A 8.49 4.59 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 14 P 0.00 4.68 0.00 1.98 2.05 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 15 H 8.87 4.49 0.00 3.15 3.28 0.00 5.88 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 16 V 7.99 3.21 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 0.80 0.00 0.00 1.02 0.00 0.00 17 S 8.05 4.77 0.00 4.14 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.03 3.88 0.00 2.09 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 2.34 2.44 0.00 19 K 8.23 3.68 0.00 1.72 1.85 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.54 1.43 7.81 20 A 6.95 4.27 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 21 S 8.55 4.12 0.00 4.06 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 22 T 7.39 4.02 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 1.21 0.00 0.00 23 A 7.64 4.10 1.27 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 24 M 7.66 4.63 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 25 E 7.83 4.70 0.00 1.84 1.17 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 2.18 2.34 0.00 26 K 7.86 4.20 0.00 1.76 1.69 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.56 7.81 27 S 7.39 4.80 0.00 3.84 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 28 N 8.40 4.90 0.00 2.66 2.81 0.00 0.00 6.95 7.54 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 29 T 7.58 4.60 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 30 I 7.60 4.13 1.84 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 1.18 0.86 0.86 0.00 0.00 31 V 8.27 4.01 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 0.59 0.00 0.00 0.97 0.00 0.00 32 L 9.54 4.21 0.00 1.87 1.68 0.79 0.84 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 33 K 8.32 5.02 0.00 2.04 2.20 0.00 1.00 0.00 0.00 2.06 0.00 0.00 2.19 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.39 1.34 7.81 34 V 8.22 4.03 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 0.88 0.00 0.00 1.02 0.00 0.00 35 A 8.34 4.23 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 36 K 8.91 3.62 0.00 1.78 1.95 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.53 7.81 37 D 7.37 4.63 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.18 3.87 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 39 T 7.99 3.28 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 1.22 0.00 0.00 40 K 8.75 3.92 0.00 1.86 1.94 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.62 7.81 41 A 8.12 4.34 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 42 E 8.30 4.03 0.00 1.99 2.45 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 2.34 2.37 0.00 43 I 7.58 4.31 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 1.55 1.11 0.90 0.00 0.00 44 K 9.14 4.13 0.00 1.74 1.80 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 45 A 7.91 4.48 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 46 A 7.18 4.24 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 47 V 7.45 4.46 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 0.84 0.00 0.00 0.50 0.00 0.00 48 Q 7.85 4.50 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.16 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 49 K 7.71 4.87 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.39 7.81 50 L 7.65 4.57 0.00 1.63 1.79 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.10 4.53 0.00 3.30 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 52 E 8.32 3.90 0.00 2.13 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 2.23 2.31 0.00 53 V 7.32 4.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 54 E 8.86 4.16 0.00 1.98 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 2.33 2.31 0.00 55 V 8.12 4.34 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 0.89 0.00 0.00 0.93 0.00 0.00 56 E 8.05 4.51 0.00 2.02 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 2.25 2.42 0.00 57 V 7.14 4.45 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 0.66 0.00 0.00 0.94 0.00 0.00 58 V 8.00 4.93 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 0.87 0.00 0.00 0.93 0.00 0.00 59 N 8.36 4.74 0.00 2.67 2.63 0.00 0.00 6.96 7.54 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 60 T 8.29 4.08 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 1.24 0.00 0.00 61 L 8.50 4.59 0.00 1.58 1.35 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.66 4.40 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 0.63 0.00 0.00 0.90 0.00 0.00 63 V 7.87 3.38 1.57 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 0.26 0.00 0.00 0.46 0.00 0.00 64 K 8.20 4.80 0.00 1.74 1.71 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.72 7.81 65 G 9.58 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.52 4.89 0.00 1.84 1.91 0.00 1.45 0.00 0.00 2.30 0.00 0.00 3.05 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.18 7.81 67 V 7.37 4.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 68 K 8.20 4.78 0.00 1.88 1.73 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.46 7.81 69 R 7.72 4.42 0.00 1.83 1.76 0.00 3.44 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 70 H 8.45 4.63 0.00 3.17 3.21 0.00 5.98 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 71 G 8.33 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.70 4.23 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 73 R 8.96 4.49 0.00 1.86 1.92 0.00 2.98 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 74 I 8.45 4.15 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.09 0.87 0.00 0.00 75 G 7.16 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 76 R 7.89 4.47 0.00 1.81 1.78 0.00 3.18 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 77 R 8.18 4.93 0.00 1.83 1.72 0.00 3.48 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 78 S 9.08 4.57 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.52 4.54 0.00 2.87 2.73 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 0.00 0.00 0.00 0.00 80 W 7.95 4.98 0.00 3.46 3.29 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 81 K 9.40 4.36 0.00 1.94 1.89 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.56 1.46 7.81 82 K 8.59 5.00 0.00 1.81 1.80 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.65 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.55 1.18 7.81 83 A 8.15 4.95 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 84 Y 8.86 4.12 0.00 2.91 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 85 V 8.27 4.32 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 0.90 0.00 0.00 0.88 0.00 0.00 86 T 8.00 5.26 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 1.25 0.00 0.00 87 L 7.93 4.79 0.00 1.74 0.83 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.74 4.47 0.00 1.66 1.65 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.31 7.81 89 E 9.17 4.34 0.00 2.08 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 2.28 2.26 0.00 90 G 8.90 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.24 4.22 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 92 N 8.14 5.14 0.00 2.82 2.76 0.00 0.00 6.96 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.56 4.16 0.00 1.62 1.70 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.93 4.29 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.59 4.36 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.63 4.36 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 0.65 0.00 0.00 0.90 0.00 0.00 97 G 8.45 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 0.00 0.00 0.00 98 G 8.46 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 0.00 0.00 0.00 0.00 99 A 7.84 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 E 8.95 4.16 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.