NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3460 8.4045 120.3203 54.9572 33.6438 176.0918 2 K 4.1824 7.8906 119.3726 53.8372 33.0585 176.9235 3 R 4.8305 8.7333 119.9659 54.4985 35.0217 175.7548 4 L 4.2045 8.6097 119.5874 56.1002 41.9530 176.9383 5 E 4.7583 7.4867 118.0625 53.7925 33.0642 175.2669 6 T 4.3868 8.2538 116.3841 60.6465 71.0936 175.4651 7 L 3.2190 7.8053 123.4320 58.1080 42.0481 179.0768 8 E 3.8703 7.9082 118.0405 59.4231 29.5650 179.1019 9 S 4.1042 8.0155 113.1112 61.4058 62.3599 176.3101 10 I 3.8550 7.7114 122.4003 64.5372 36.8145 178.5080 11 L 3.9461 8.2644 120.0723 57.4481 41.3429 179.2920 12 E 3.9462 8.2927 118.8357 59.6141 29.5832 179.3536 13 R 4.0034 7.9692 118.1193 59.2950 30.2675 178.2498 14 L 3.6772 8.2827 120.4089 58.3090 41.8913 179.3031 15 R 3.9851 8.0581 116.5937 59.1096 30.0425 178.8257 16 M 4.2325 7.8318 118.4515 58.6014 32.1011 178.7027 17 S 4.3485 8.1508 115.2102 61.9307 62.4402 176.2244 18 I 4.0780 7.8118 122.5699 63.8424 35.6005 180.2391 19 K 4.5563 7.7694 123.3511 59.3329 32.4566 183.9154 20 K 4.1353 8.1360 119.8662 58.9574 32.1853 176.9853 21 N 4.6300 8.1009 113.9960 53.0243 39.2580 175.8894 22 G 3.7453 7.7078 108.5714 46.7178 0.0000 174.6060 *25 N 4.5586 8.4574 120.6623 51.8613 39.5008 173.9217 26 S 4.0957 7.8393 117.4432 61.5832 63.3391 175.6349 27 K 3.8462 7.8756 122.9387 59.5174 32.0771 178.4615 28 Q 3.9676 7.9349 119.3216 58.8641 28.9755 177.9169 29 R 3.8593 7.6336 119.4305 59.4119 30.0723 178.7636 30 E 3.8867 7.9936 118.0468 59.4513 29.4009 179.3670 31 E 3.9299 8.1804 118.5936 59.2868 29.5062 179.5739 32 V 3.5280 7.7933 118.2330 66.0150 31.5429 178.1369 33 V 3.6300 7.9130 118.0559 66.1938 31.3218 178.1710 34 S 4.1220 8.3272 115.1564 61.4596 62.4513 176.5619 35 V 3.6190 7.9566 120.1431 66.2946 31.6584 177.7401 36 L 4.1557 7.9415 118.4540 57.9168 40.9127 178.9183 37 Y 3.9356 8.4069 119.7458 60.7993 38.6035 178.1637 38 R 4.1683 8.1641 116.7788 57.0608 30.6514 176.6609 39 S 4.4839 7.3372 113.8746 57.3670 63.2061 173.8261 40 G 3.9109 8.5743 114.8348 45.5373 0.0000 172.6690 41 T 4.6475 7.4681 108.9084 59.5872 71.7864 172.7085 42 H 4.8568 8.7037 118.7782 55.0603 29.7255 175.0183 43 L 5.1102 9.0020 124.1647 52.9192 44.3371 176.4813 44 S 4.8543 9.7205 117.9923 57.3845 64.4000 173.3337 45 P 4.0587 0.0000 0.0000 65.9185 30.8355 178.7218 46 E 4.0141 8.1947 116.6252 59.6487 29.4193 179.1810 47 E 3.9913 8.1713 118.4296 59.3427 29.4886 179.3889 48 I 3.6861 7.9075 119.8918 64.6895 37.1283 178.4728 49 T 3.8390 8.1051 116.5982 66.9332 68.1080 175.8071 50 H 4.0275 8.1666 118.7125 59.5718 30.1446 176.8713 51 S 4.2929 8.3191 116.7597 61.8921 62.6819 176.8282 52 I 3.7313 7.8946 122.2992 64.5150 36.5973 178.7244 53 R 4.7954 8.1117 119.4828 58.4622 29.8472 178.6550 54 Q 4.1483 7.8423 119.7193 59.0621 28.7395 178.7077 55 K 4.5435 7.9034 122.3899 56.6847 33.8331 178.1603 56 D 4.9576 8.3579 121.9348 52.2942 41.1640 175.8077 57 K 4.3871 8.0060 123.8099 55.7040 32.5246 176.6282 58 N 4.5554 8.8746 117.0158 53.7700 35.7917 174.8767 59 T 4.0110 7.6315 115.1060 63.5288 69.4704 173.8755 60 S 4.5716 8.3772 119.9572 57.0921 63.7816 174.7978 61 I 3.8385 8.4129 126.2698 64.1846 37.7300 178.3481 62 S 4.1884 7.9732 115.8094 61.3649 62.7364 176.6820 63 S 4.1998 8.0210 117.6358 61.0529 62.8434 176.7227 64 V 3.5566 7.6962 121.4825 66.0050 31.3167 177.3649 65 Y 3.8918 8.3600 116.6423 61.0577 37.7816 178.7309 66 R 3.9593 8.0325 119.0950 59.3749 30.1190 178.6238 67 I 3.7203 7.7833 119.5900 64.5307 37.0952 178.3871 68 L 3.7907 8.3172 120.0262 57.7889 41.2769 179.4381 69 N 4.4072 8.4507 116.6124 56.1740 38.4933 177.2527 70 F 4.1371 8.1758 121.5118 61.3956 39.5484 177.1431 71 L 4.0798 8.3567 118.8498 57.8229 41.4944 179.2591 72 E 4.3531 8.4778 120.7673 58.6089 29.4112 178.6191 73 K 3.9070 7.9661 118.6660 59.2512 32.2971 177.6266 74 E 4.2621 7.7037 115.4754 55.6944 29.5180 176.3069 75 N 4.3723 7.6367 114.7486 53.9714 36.6961 175.3429 76 F 4.5158 8.3344 120.4535 59.5542 40.1509 175.4510 77 I 5.3965 7.8698 110.6316 59.1213 41.5377 174.3709 78 S 5.0240 9.1150 117.1184 56.4921 66.4698 172.9942 79 V 4.4583 8.2706 119.8277 59.6677 33.9447 174.4412 80 L 4.6810 8.8439 125.6649 53.1136 44.4833 174.7138 81 E 5.3256 8.7497 124.0782 54.8236 31.9365 175.0162 82 T 4.8241 8.7689 113.6731 59.7312 72.4696 175.3092 83 S 4.0719 9.0991 120.9933 62.5175 63.1668 177.0838 84 K 4.1705 8.2619 120.0312 57.3279 31.4909 179.6270 85 S 4.5639 8.3319 112.0834 57.1890 64.6248 176.4073 86 G 3.7999 8.1560 110.5228 46.0348 0.0000 172.0536 87 R 4.9320 8.5176 120.5662 55.0019 31.6240 176.4532 88 R 4.9692 8.9902 122.3062 54.6185 34.6045 173.9766 89 Y 5.3650 9.2904 118.9953 56.4948 42.0431 174.4202 90 E 5.0126 8.9383 118.1634 54.6081 33.6562 174.2420 91 I 4.1027 8.3758 120.9941 61.5687 38.0230 175.8716 92 A 4.1799 8.8196 130.5036 53.6474 19.0207 178.2735 93 A 4.3662 7.6121 120.4246 51.6897 17.4414 176.5021 94 K 4.9090 7.2522 119.9168 53.7069 36.6474 177.1616 95 E 4.1094 8.5569 120.4269 56.3255 30.0401 176.6854 96 H 4.1131 8.5438 121.0030 57.3955 30.3153 173.9142 97 H 4.5675 7.6236 119.2526 54.8471 31.4587 171.8490 98 D 4.6680 8.4852 119.8651 52.6633 44.5124 174.5595 99 H 5.4651 8.2918 115.0133 54.4274 32.8306 173.0697 100 I 4.8696 9.0767 123.3615 59.8075 39.7479 174.7735 101 I 5.0615 8.6223 126.8078 59.4841 41.1382 174.1874 102 C 4.9544 9.1216 128.4243 59.2686 31.8657 174.3936 103 L 4.2179 9.3751 127.2697 57.7581 41.4036 178.0193 104 H 4.5891 8.5999 117.7677 57.9435 30.3831 175.4145 105 C 4.3333 8.1661 110.6846 57.6777 30.5593 174.5797 106 G 3.9509 8.1721 108.4844 44.6745 0.0000 173.5215 107 K 3.9894 7.8604 121.3394 57.0792 33.2850 175.1113 108 I 4.9402 8.3688 126.9183 59.5989 39.6154 174.7984 109 I 4.5824 8.9400 127.7994 59.5441 39.8487 174.7369 110 E 5.0237 8.8948 126.6280 55.8244 30.8083 175.5663 111 F 5.0298 8.5819 116.3862 56.0034 42.0064 173.5993 112 A 4.3717 8.5686 121.9668 51.1988 21.2627 175.4510 113 D 4.7599 8.8058 122.6183 52.8300 42.0165 175.0028 114 P 4.2854 0.0000 0.0000 65.9928 31.1869 178.4638 115 E 4.0301 8.1177 116.7621 59.2318 29.4790 179.1712 116 I 3.7166 7.9294 119.5640 64.4672 36.7240 178.2804 117 E 4.0699 8.3339 119.4316 59.3847 29.2754 179.0113 118 N 4.3158 8.2891 117.0318 56.7808 39.0659 176.9934 119 R 3.9303 8.2455 120.2386 59.4450 30.0993 178.3891 120 Q 4.0119 8.2785 118.0705 59.0196 28.5248 178.6645 121 N 4.4059 7.7916 116.4361 56.2302 38.3793 177.3600 122 E 3.9868 7.9600 119.2105 59.3127 29.6739 179.2967 123 V 3.7698 7.9924 118.4097 66.0836 31.6517 178.3745 124 V 3.8826 7.9368 120.0392 66.4023 31.2453 178.7704 125 K 4.0920 7.9947 123.4768 59.5492 31.2424 182.6212 126 K 4.0311 7.6646 117.7127 58.9648 31.8425 177.8795 127 Y 4.4801 7.8597 115.0132 56.4206 38.1290 175.6025 128 Q 3.6021 8.1057 117.9009 56.8768 27.1510 173.5509 129 A 4.6425 7.3523 118.2530 50.4373 21.2886 177.0254 130 K 4.3775 8.2066 120.5486 54.1841 33.2988 175.7355 131 L 4.1172 8.5087 129.0584 55.2650 42.3997 175.9720 132 I 4.1080 8.3451 127.1951 63.0050 38.0099 175.5543 133 S 4.5303 7.4669 110.9344 58.2461 65.0148 172.7935 134 H 4.8930 8.0646 115.1187 54.4023 31.1548 172.2085 135 D 4.5593 8.4076 118.3486 52.7646 43.5842 173.7847 136 M 4.8372 8.6086 125.4846 53.7777 35.3941 173.7670 137 K 4.8276 8.7805 124.6502 54.7947 35.9497 175.3182 138 M 4.6320 8.7647 123.9667 53.5254 34.6473 174.6467 139 F 5.3372 8.8226 122.1674 56.0878 41.1930 175.3681 140 V 4.5522 8.8680 115.4356 59.7696 36.9426 173.9856 141 W 5.3903 8.4898 121.5758 55.2804 30.3165 176.7466 142 C 4.4804 8.8124 120.0366 57.1979 30.4832 174.3027 143 K 3.8580 8.8647 121.0234 60.2186 31.2897 178.5923 144 E 4.1489 8.0774 116.7066 59.3847 29.5736 178.5444 145 C 4.3213 8.0296 115.6458 62.4550 28.4177 175.4091 146 Q 4.1762 7.8651 118.2719 56.8827 28.6674 176.2729 147 E 4.2035 7.2540 119.2763 55.4423 30.1867 176.9308 148 S 4.2731 8.6603 117.2040 58.6659 62.9877 174.0039 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 8.40 4.35 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 K 7.89 4.18 0.00 1.86 1.59 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.09 7.81 3 R 8.73 4.83 0.00 1.84 2.03 0.00 2.85 0.00 0.00 2.67 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.55 0.00 4 L 8.61 4.20 0.00 1.63 1.73 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.49 4.76 0.00 2.07 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 2.29 2.28 0.00 6 T 8.25 4.39 4.21 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 1.24 0.00 0.00 7 L 7.81 3.22 0.00 0.36 1.25 0.62 0.73 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 8 E 7.91 3.87 0.00 1.97 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 2.33 2.27 0.00 9 S 8.02 4.10 0.00 3.92 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 0.00 10 I 7.71 3.86 2.03 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.83 1.15 0.00 0.00 11 L 8.26 3.95 0.00 1.75 1.80 0.85 0.94 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 12 E 8.29 3.95 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 2.61 2.48 0.00 13 R 7.97 4.00 0.00 2.23 2.36 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 14 L 8.28 3.68 0.00 1.40 1.66 0.23 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.06 3.99 0.00 1.94 1.98 0.00 3.20 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 16 M 7.83 4.23 0.00 2.12 2.43 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.58 0.00 17 S 8.15 4.35 0.00 4.21 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 0.00 18 I 7.81 4.08 1.87 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 0.80 0.91 0.00 0.00 19 K 7.77 4.56 0.00 1.71 1.82 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.29 7.81 20 K 8.14 4.14 0.00 1.76 2.09 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 21 N 8.10 4.63 0.00 3.07 3.01 0.00 0.00 7.33 7.62 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 22 G 7.71 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 N 8.46 4.56 0.00 2.69 2.83 0.00 0.00 6.66 7.91 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 26 S 7.84 4.10 0.00 3.97 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 27 K 7.88 3.85 0.00 1.90 1.80 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.07 7.81 28 Q 7.93 3.97 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 29 R 7.63 3.86 0.00 1.92 1.87 0.00 2.94 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 30 E 7.99 3.89 0.00 2.16 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 2.25 2.55 0.00 31 E 8.18 3.93 0.00 2.13 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 2.50 2.44 0.00 32 V 7.79 3.53 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 0.92 0.00 0.00 0.91 0.00 0.00 33 V 7.91 3.63 2.17 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 1.11 0.00 0.00 0.88 0.00 0.00 34 S 8.33 4.12 0.00 4.07 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 35 V 7.96 3.62 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 0.84 0.00 0.00 1.01 0.00 0.00 36 L 7.94 4.16 0.00 1.95 1.76 0.94 0.89 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 37 Y 8.41 3.94 0.00 3.23 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 38 R 8.16 4.17 0.00 2.10 2.02 0.00 3.25 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 39 S 7.34 4.48 0.00 3.99 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 40 G 8.57 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 41 T 7.47 4.65 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 1.22 0.00 0.00 42 H 8.70 4.86 0.00 3.02 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.00 5.11 0.00 1.61 1.59 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.72 4.85 0.00 3.91 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 45 P 0.00 4.06 0.00 2.08 1.36 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 46 E 8.19 4.01 0.00 2.15 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 0.00 2.40 1.98 0.00 47 E 8.17 3.99 0.00 2.06 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 2.34 2.38 0.00 48 I 7.91 3.69 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.85 0.00 0.00 49 T 8.11 3.84 4.45 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 1.24 0.00 0.00 50 H 8.17 4.03 0.00 3.24 3.54 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.32 4.29 0.00 4.06 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 52 I 7.89 3.73 1.99 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 1.77 0.88 0.90 0.00 0.00 53 R 8.11 4.80 0.00 1.84 1.95 0.00 3.13 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 54 Q 7.84 4.15 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 55 K 7.90 4.54 0.00 1.85 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.08 7.81 56 D 8.36 4.96 0.00 2.79 2.57 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 57 K 8.01 4.39 0.00 1.77 1.60 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.03 7.81 58 N 8.87 4.56 0.00 2.89 3.03 0.00 0.00 7.00 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 59 T 7.63 4.01 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 60 S 8.38 4.57 0.00 3.86 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 61 I 8.41 3.84 1.96 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 2.10 1.35 0.96 0.00 0.00 62 S 7.97 4.19 0.00 4.04 4.09 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 63 S 8.02 4.20 0.00 4.11 4.17 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 64 V 7.70 3.56 2.25 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 0.77 0.00 0.00 0.93 0.00 0.00 65 Y 8.36 3.89 0.00 3.15 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 66 R 8.03 3.96 0.00 1.95 2.10 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 67 I 7.78 3.72 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 1.46 0.54 0.89 0.00 0.00 68 L 8.32 3.79 0.00 1.41 0.99 0.15 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.45 4.41 0.00 2.98 2.96 0.00 0.00 6.63 8.22 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 70 F 8.18 4.14 0.00 3.11 3.22 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 71 L 8.36 4.08 0.00 1.90 1.82 0.92 1.04 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 72 E 8.48 4.35 0.00 2.30 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 2.57 2.49 0.00 73 K 7.97 3.91 0.00 1.88 1.92 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.46 7.81 74 E 7.70 4.26 0.00 1.90 1.91 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 1.64 1.55 0.00 75 N 7.64 4.37 0.00 2.67 2.79 0.00 0.00 6.93 7.19 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 76 F 8.33 4.52 0.00 3.13 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 77 I 7.87 5.40 2.13 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 1.02 0.00 0.00 78 S 9.12 5.02 0.00 3.86 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 79 V 8.27 4.46 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 0.65 0.00 0.00 0.45 0.00 0.00 80 L 8.84 4.68 0.00 1.47 1.35 0.59 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.75 5.33 0.00 1.93 1.80 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 2.11 2.26 0.00 82 T 8.77 4.82 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 S 9.10 4.07 0.00 3.83 3.95 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 84 K 8.26 4.17 0.00 1.77 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 85 S 8.33 4.56 0.00 3.97 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 86 G 8.16 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 87 R 8.52 4.93 0.00 1.76 1.71 0.00 3.24 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 88 R 8.99 4.97 0.00 1.60 1.69 0.00 3.06 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 89 Y 9.29 5.36 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.94 5.01 0.00 1.97 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 2.24 2.29 0.00 91 I 8.38 4.10 1.89 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 1.46 0.81 0.81 0.00 0.00 92 A 8.82 4.18 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 93 A 7.61 4.37 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 94 K 7.25 4.91 0.00 1.70 1.63 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.59 7.81 95 E 8.56 4.11 0.00 1.94 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 2.32 2.30 0.00 96 H 8.54 4.11 0.00 3.04 3.21 0.00 5.95 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 97 H 7.62 4.57 0.00 3.05 3.03 0.00 5.53 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.49 4.67 0.00 1.58 2.43 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 99 H 8.29 5.47 0.00 2.97 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.08 4.87 2.01 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.89 0.00 0.00 101 I 8.62 5.06 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.77 1.01 0.00 0.00 102 C 9.12 4.95 0.00 3.08 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 0.00 103 L 9.38 4.22 0.00 1.88 1.90 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.60 4.59 0.00 2.95 3.30 0.00 5.90 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.17 4.33 0.00 3.10 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 0.00 106 G 8.17 3.95 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 0.00 0.00 0.00 107 K 7.86 3.99 0.00 1.88 1.74 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.52 7.81 108 I 8.37 4.94 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.94 0.81 0.00 0.00 109 I 8.94 4.58 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.96 0.00 0.00 110 E 8.89 5.02 0.00 1.80 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 0.00 2.32 2.35 0.00 111 F 8.58 5.03 0.00 3.03 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 0.00 112 A 8.57 4.37 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 0.00 113 D 8.81 4.76 0.00 2.95 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 0.00 114 P 0.00 4.29 0.00 2.21 2.12 0.00 3.68 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 115 E 8.12 4.03 0.00 2.18 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 2.41 0.00 116 I 7.93 3.72 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.97 0.00 0.00 117 E 8.33 4.07 0.00 2.12 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 2.61 2.49 0.00 118 N 8.29 4.32 0.00 2.84 2.96 0.00 0.00 6.87 7.19 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 0.00 119 R 8.25 3.93 0.00 2.03 2.04 0.00 3.28 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 120 Q 8.28 4.01 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 121 N 7.79 4.41 0.00 2.96 2.86 0.00 0.00 6.97 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 0.00 122 E 7.96 3.99 0.00 2.11 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 2.34 2.51 0.00 123 V 7.99 3.77 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 1.15 0.00 0.00 1.03 0.00 0.00 124 V 7.94 3.88 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 1.01 0.00 0.00 1.03 0.00 0.00 125 K 7.99 4.09 0.00 1.77 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.35 7.81 126 K 7.66 4.03 0.00 1.29 1.47 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.71 7.81 127 Y 7.86 4.48 0.00 3.01 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 0.00 128 Q 8.11 3.60 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 129 A 7.35 4.64 1.25 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 0.00 0.00 130 K 8.21 4.38 0.00 1.71 1.71 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 131 L 8.51 4.12 0.00 1.63 1.58 0.99 1.11 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 0.00 132 I 8.35 4.11 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 1.59 0.97 0.89 0.00 0.00 133 S 7.47 4.53 0.00 3.86 3.77 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 0.00 134 H 8.06 4.89 0.00 3.23 3.25 0.00 5.48 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.41 4.56 0.00 2.56 2.53 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 0.00 136 M 8.61 4.84 0.00 2.28 1.92 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 137 K 8.78 4.83 0.00 1.47 1.01 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 1.52 7.81 138 M 8.76 4.63 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 139 F 8.82 5.34 0.00 2.92 2.98 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 0.00 140 V 8.87 4.55 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 0.73 0.00 0.00 1.04 0.00 0.00 141 W 8.49 5.39 0.00 3.26 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 0.00 142 C 8.81 4.48 0.00 3.15 3.14 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 0.00 143 K 8.86 3.86 0.00 1.91 1.89 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.53 1.64 7.81 144 E 8.08 4.15 0.00 1.98 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 2.33 2.47 0.00 145 C 8.03 4.32 0.00 3.11 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 0.00 146 Q 7.87 4.18 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 147 E 7.25 4.20 0.00 2.16 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 2.35 2.39 0.00 148 S 8.66 4.27 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.