NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.1989 8.1844 122.4957 54.6822 42.7354 176.0170 6 N 4.3824 8.8965 126.0451 53.2426 38.8550 170.8549 7 E 4.7830 9.4598 127.1040 56.1920 32.5108 175.0085 8 R 4.9412 8.5392 120.7375 55.5566 31.4572 175.8116 9 I 5.0526 8.9897 117.3716 58.8724 41.4566 173.9231 10 L 4.7636 8.5212 125.7972 53.1073 44.8052 174.8056 11 L 4.7476 8.5684 125.9904 52.8464 44.7336 175.5070 12 V 4.7029 7.9203 122.7548 61.3802 34.4627 173.4912 13 D 4.6620 8.4396 125.1622 53.3930 44.4801 176.0883 14 D 4.5001 8.8758 123.5062 55.9129 41.7867 175.9553 15 D 4.6929 8.8878 119.5046 52.8678 41.9203 176.2737 16 Y 3.9234 8.5095 126.1336 60.9964 37.9877 178.4147 17 S 4.1725 8.2172 116.1279 61.7312 62.9625 176.6898 18 L 3.9582 8.0818 122.1126 58.0680 41.9507 178.5178 19 L 3.9496 7.7952 118.9587 58.1644 41.6152 179.4394 20 N 4.4194 8.5870 116.5094 56.5365 38.3232 177.7171 21 T 3.9073 8.0333 117.1628 66.6647 68.5562 176.8391 22 L 4.0351 8.3193 121.3553 57.6839 41.7161 179.5192 23 K 4.0933 8.3011 119.6577 59.3316 31.8614 179.2126 24 R 3.9486 7.8972 117.8870 59.2172 30.0251 178.2402 25 N 4.4894 7.9575 116.9702 56.7201 39.0737 176.8916 26 L 4.1145 8.7339 120.1586 57.2193 41.6040 179.0944 27 S 4.6921 7.9002 115.3080 59.8564 62.8848 175.7403 28 F 4.0798 7.7166 123.1512 60.6805 39.2334 175.2722 29 D 4.3604 7.8252 115.1771 54.1775 42.1254 175.5087 30 F 5.1003 7.8286 116.6982 55.6353 44.3184 173.8572 31 E 4.6002 9.0348 120.1063 55.7148 30.1541 175.6920 32 V 4.7345 8.4111 125.1768 61.4745 33.2726 174.9316 33 T 4.9116 8.7585 124.4974 61.9619 71.4731 173.4005 34 T 5.1051 8.3971 113.6724 60.3592 72.0494 172.9159 35 C 5.0998 8.6353 119.8342 58.4704 32.8114 174.6409 36 E 4.7419 9.2997 118.7012 56.1154 30.0492 175.5629 37 S 4.7651 7.2155 114.1004 56.6548 66.5554 176.0997 38 G 3.5013 8.3288 107.7579 47.6097 0.0000 173.7585 39 P 4.0925 0.0000 0.0000 65.1461 31.2921 178.3451 40 E 3.8749 8.0183 117.6055 59.1552 29.6731 178.3544 41 A 3.9423 8.1636 121.1653 55.5006 18.2850 179.4892 42 L 3.9755 8.7166 117.8833 58.0708 41.1565 179.7631 43 A 4.0321 8.1310 120.6362 55.2427 18.2186 179.2656 44 C 4.2183 8.1021 117.3197 62.5057 31.4385 175.9089 45 I 4.0304 7.8076 120.7822 64.2616 36.8032 177.8496 46 K 4.0887 7.7850 119.8146 58.8789 32.1395 178.0451 47 K 4.3756 7.6430 115.1238 56.4862 33.4497 176.4486 48 S 4.6033 7.2006 115.9390 56.6103 64.7216 173.4014 49 D 4.4230 8.0004 121.0130 53.4319 41.0545 175.0343 50 P 4.1482 0.0000 0.0000 63.0575 31.8171 176.2798 51 F 4.5344 8.2781 121.3744 56.6163 40.3141 176.0343 52 S 2.7900 8.5202 119.6087 59.8194 64.3831 174.3108 53 V 4.6287 7.4041 119.5864 60.7600 34.6735 174.5980 54 I 5.1552 7.9902 126.7957 58.1863 41.6199 174.1836 *56 V 4.1622 8.1400 121.5254 63.3878 32.0693 175.3295 57 D 4.8079 8.1106 127.4749 53.5082 43.5810 175.4564 *59 R 3.9712 8.4343 112.3977 55.6606 30.6107 173.0832 *61 P 4.0726 0.0000 0.0000 63.5793 32.4467 177.3382 62 G 3.9775 8.6087 109.4673 46.6587 0.0000 174.1809 *64 E 4.2232 7.7647 117.9225 55.7325 31.9753 176.7066 65 G 3.6757 8.4856 107.6869 48.3484 0.0000 175.9186 66 T 3.8029 7.8156 114.7221 65.0478 67.3508 175.6738 67 E 3.9234 8.0988 120.7624 59.0985 29.6284 178.8159 68 V 3.5480 7.4386 118.5643 65.9861 31.5338 178.1278 69 I 3.3055 7.6408 119.5389 64.3120 36.6770 178.4388 70 Q 3.8651 7.7125 117.6768 58.9327 28.7014 178.8122 71 K 4.0984 8.3345 119.5692 59.3529 32.0045 179.3885 72 A 4.0746 8.3874 121.5552 55.1384 18.0745 179.8870 73 R 3.5636 7.8181 116.0040 59.2081 30.1061 178.8919 74 L 4.1695 7.5951 118.1936 56.9627 41.6611 178.4604 75 I 4.3826 7.5932 117.9958 61.5687 38.9698 175.9145 76 S 4.6986 8.8250 114.8065 55.7998 62.5884 172.1461 77 P 4.5360 0.0000 0.0000 65.1926 31.7481 178.0295 78 N 4.4956 8.2266 114.2113 56.0498 38.7534 175.7410 79 S 4.3706 7.4692 112.1672 59.1786 64.0200 174.4552 80 V 4.2194 8.4025 122.6335 61.5850 33.3422 173.9341 81 Y 5.0191 8.7348 125.7831 56.9041 39.8293 174.9146 82 L 6.1024 8.1946 125.9380 52.3896 45.0288 175.0640 *84 L 4.3932 8.3319 118.6266 55.8430 42.8343 176.5843 85 T 4.5977 8.9493 117.9923 60.2036 70.9721 173.3164 86 G 4.0035 9.1629 114.2597 46.5858 0.0000 175.9881 87 N 3.9043 7.9385 119.6679 56.2946 40.5925 175.6417 88 Q 4.2731 7.8632 113.0507 56.7140 29.4847 176.5638 89 D 4.7037 8.1778 118.4036 53.5612 41.1391 177.4305 90 L 3.5639 7.7866 121.7853 58.7989 41.9771 178.6569 91 T 3.9473 7.6439 113.1972 67.0003 68.2722 176.4670 92 T 4.2077 7.7654 116.8014 65.9420 68.4717 175.4935 93 A 4.0580 7.3515 121.8405 52.5209 18.7229 178.8453 *95 E 4.1966 8.2431 120.7473 57.7337 31.9699 178.0336 96 A 3.9409 7.7669 121.1348 54.9292 18.3108 179.5005 97 V 4.1837 7.8055 118.1191 65.9660 31.4187 178.1546 98 N 4.3710 8.1187 113.7972 56.0634 38.5083 176.6169 99 E 4.2286 8.0586 118.7508 57.1006 29.5916 177.7571 100 G 3.9658 8.0909 107.1230 46.0652 0.0000 174.5086 101 Q 4.1319 8.0756 120.4644 56.9298 29.6026 176.4928 102 V 4.5688 7.5068 118.1577 60.7930 32.9899 175.4987 103 F 4.4352 9.1751 130.9468 61.3312 40.0966 175.4631 104 R 4.5177 7.8609 116.6322 55.0390 33.1707 173.6055 105 F 5.4026 8.1051 120.0907 54.9993 41.3741 174.2968 106 L 4.8358 8.4102 118.6665 52.9460 45.0849 175.5698 107 N 5.0515 9.0033 122.0787 53.1299 39.1215 175.5113 108 K 4.4678 8.8254 123.7256 55.1851 33.2511 175.3996 109 P 4.4561 0.0000 0.0000 62.8382 31.9510 175.7823 110 C 4.9055 8.2153 117.9580 58.0024 31.2911 175.7601 111 Q 4.3526 8.2013 127.0511 56.0883 28.4466 177.7209 *113 S 4.3912 8.7041 115.5989 59.8986 65.0956 175.5695 114 D 4.4067 8.1162 119.2931 57.5875 40.4729 179.1085 115 I 3.7092 7.7265 119.9542 64.3430 37.2007 178.4833 116 K 4.0831 8.0965 119.7912 59.3912 32.0984 178.5765 117 A 4.0647 8.3166 121.0998 54.8986 18.1865 179.5041 118 A 3.9856 8.0866 119.4197 55.2729 18.3961 179.9329 119 I 3.4814 7.8340 118.2564 64.6812 37.0907 178.3027 120 N 4.3299 8.2543 116.9859 56.4978 38.3718 177.3651 121 A 4.2130 8.3646 122.2382 54.9909 18.4662 179.9480 122 G 3.3386 8.4034 104.6895 47.9562 0.0000 176.0546 123 I 3.7012 7.9355 122.4575 63.9297 37.0993 178.5023 124 K 4.0077 7.9329 120.4330 59.3242 32.0752 178.7131 125 Q 3.8404 8.0180 120.0090 59.2462 28.8206 177.6302 126 Y 3.9253 8.0562 120.6083 60.6192 38.8179 177.5515 127 D 4.1948 8.0259 118.5361 57.1474 41.3693 177.8582 128 L 3.9150 7.7128 119.5026 57.9693 41.7052 179.7713 129 V 3.4760 7.4803 117.7189 66.3294 31.5469 178.1434 130 T 3.8527 7.6733 109.1966 64.0880 68.3354 176.7483 131 S 4.2776 7.9316 117.8463 60.6665 62.4105 175.9974 132 K 3.9256 8.0270 122.4017 59.3837 31.8726 178.4561 133 E 3.9092 8.2500 119.9439 59.1519 29.4082 178.5674 134 E 3.9768 8.6564 117.9758 58.3602 29.3740 178.1414 135 L 4.2377 7.1835 118.6916 56.6936 41.4751 178.3075 136 L 4.1241 7.7470 120.7322 57.6048 41.3826 179.0315 137 K 3.9309 8.1889 118.8321 58.6431 32.2006 178.0192 138 K 4.4756 7.2520 118.3529 57.2352 33.0126 177.1190 139 T 3.9657 7.3942 116.4212 61.5051 70.2859 178.2496 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 5 L 8.18 4.20 0.00 1.63 1.70 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.90 4.38 0.00 2.92 2.71 0.00 0.00 7.08 6.77 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 7 E 9.46 4.78 0.00 2.02 2.16 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 2.42 2.37 0.00 8 R 8.54 4.94 0.00 1.82 1.89 0.00 2.91 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 9 I 8.99 5.05 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.86 0.69 0.00 0.00 10 L 8.52 4.76 0.00 0.27 0.74 0.56 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.57 4.75 0.00 1.53 1.46 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.92 4.70 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 0.96 0.00 0.00 0.85 0.00 0.00 13 D 8.44 4.66 0.00 2.68 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 0.00 0.00 0.00 0.00 14 D 8.88 4.50 0.00 2.62 2.64 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 15 D 8.89 4.69 0.00 2.68 2.67 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 16 Y 8.51 3.92 0.00 3.07 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 17 S 8.22 4.17 0.00 4.12 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 18 L 8.08 3.96 0.00 1.81 1.79 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.80 3.95 0.00 1.90 1.69 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.59 4.42 0.00 2.79 2.91 0.00 0.00 7.09 6.79 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 21 T 8.03 3.91 4.38 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 1.23 0.00 0.00 22 L 8.32 4.04 0.00 1.67 1.73 0.92 0.70 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 23 K 8.30 4.09 0.00 1.89 1.92 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.52 7.81 24 R 7.90 3.95 0.00 2.10 2.00 0.00 3.24 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 25 N 7.96 4.49 0.00 2.94 2.85 0.00 0.00 7.29 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 26 L 8.73 4.11 0.00 1.85 1.98 0.96 1.18 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 27 S 7.90 4.69 0.00 4.03 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 28 F 7.72 4.08 0.00 3.05 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 29 D 7.83 4.36 0.00 1.58 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 30 F 7.83 5.10 0.00 2.95 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 31 E 9.03 4.60 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 2.29 0.00 32 V 8.41 4.73 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 0.82 0.00 0.00 1.10 0.00 0.00 33 T 8.76 4.91 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 1.25 0.00 0.00 34 T 8.40 5.11 4.19 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 1.20 0.00 0.00 35 C 8.64 5.10 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 36 E 9.30 4.74 0.00 1.97 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 2.45 2.21 0.00 37 S 7.22 4.77 0.00 4.00 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 38 G 8.33 3.50 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 0.00 0.00 0.00 39 P 0.00 4.09 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 40 E 8.02 3.87 0.00 2.01 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 2.32 2.35 0.00 41 A 8.16 3.94 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 42 L 8.72 3.98 0.00 1.66 1.76 0.92 -0.26 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 43 A 8.13 4.03 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 44 C 8.10 4.22 0.00 3.08 3.13 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 45 I 7.81 4.03 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 1.04 0.00 0.00 46 K 7.79 4.09 0.00 1.77 2.12 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 47 K 7.64 4.38 0.00 2.00 1.93 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.47 7.81 48 S 7.20 4.60 0.00 3.64 3.61 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 0.00 0.00 0.00 0.00 49 D 8.00 4.42 0.00 2.45 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 2.02 2.04 0.00 3.57 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 2.04 2.11 0.00 51 F 8.28 4.53 0.00 2.89 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 52 S 8.52 2.79 0.00 3.36 3.33 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 53 V 7.40 4.63 1.85 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 0.99 0.00 0.00 0.78 0.00 0.00 54 I 7.99 5.16 1.47 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.27 0.88 0.00 0.00 *56 V 8.14 4.16 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 0.99 0.00 0.00 57 D 8.11 4.81 0.00 2.85 2.52 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 *59 R 8.43 3.97 0.00 1.97 1.94 0.00 3.11 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 *61 P 0.00 4.07 0.00 2.09 2.06 0.00 3.73 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 1.92 2.09 0.00 62 G 8.61 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 *64 E 7.76 4.22 0.00 2.03 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 0.00 2.28 2.37 0.00 65 G 8.49 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.82 3.80 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 1.18 0.00 0.00 67 E 8.10 3.92 0.00 2.05 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 2.35 2.34 0.00 68 V 7.44 3.55 2.21 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 1.03 0.00 0.00 0.95 0.00 0.00 69 I 7.64 3.31 1.86 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 1.53 0.58 0.41 0.00 0.00 70 Q 7.71 3.87 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 71 K 8.33 4.10 0.00 1.76 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.53 7.81 72 A 8.39 4.07 1.48 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 73 R 7.82 3.56 0.00 1.66 1.99 0.00 2.91 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.08 0.00 74 L 7.60 4.17 0.00 1.71 1.74 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.59 4.38 1.94 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 0.56 0.96 0.00 0.00 76 S 8.82 4.70 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.54 0.00 2.13 2.14 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 78 N 8.23 4.50 0.00 2.85 2.75 0.00 0.00 6.89 7.57 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 79 S 7.47 4.37 0.00 3.70 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 80 V 8.40 4.22 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 0.59 0.00 0.00 0.78 0.00 0.00 81 Y 8.73 5.02 0.00 3.18 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 82 L 8.19 6.10 0.00 1.52 1.67 1.10 0.85 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 *84 L 8.33 4.39 0.00 1.57 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.95 4.60 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 1.22 0.00 0.00 86 G 9.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 3.90 0.00 2.72 2.84 0.00 0.00 7.04 7.08 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 88 Q 7.86 4.27 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 89 D 8.18 4.70 0.00 2.63 2.58 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 0.00 90 L 7.79 3.56 0.00 1.51 1.64 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.64 3.95 4.19 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 1.18 0.00 0.00 92 T 7.77 4.21 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 1.17 0.00 0.00 93 A 7.35 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 E 8.24 4.20 0.00 2.18 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 0.00 2.39 2.30 0.00 96 A 7.77 3.94 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 97 V 7.81 4.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 1.22 0.00 0.00 98 N 8.12 4.37 0.00 2.75 2.88 0.00 0.00 6.93 7.66 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 99 E 8.06 4.23 0.00 2.08 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 2.45 2.46 0.00 100 G 8.09 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 0.00 0.00 0.00 101 Q 8.08 4.13 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 102 V 7.51 4.57 2.20 0.00 0.00 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 1.01 0.00 0.00 103 F 9.18 4.44 0.00 3.05 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 0.00 104 R 7.86 4.52 0.00 1.92 1.69 0.00 2.85 0.00 0.00 2.85 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 105 F 8.11 5.40 0.00 3.02 3.02 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 0.00 106 L 8.41 4.84 0.00 1.67 1.61 0.94 0.64 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 0.00 107 N 9.00 5.05 0.00 2.69 2.82 0.00 0.00 7.19 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 0.00 108 K 8.83 4.47 0.00 1.64 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.58 7.81 109 P 0.00 4.46 0.00 2.05 1.99 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 110 C 8.22 4.91 0.00 2.95 2.84 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 0.00 111 Q 8.20 4.35 0.00 2.22 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.50 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 *113 S 8.70 4.39 0.00 3.92 3.96 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 0.00 0.00 0.00 114 D 8.12 4.41 0.00 2.86 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 0.00 115 I 7.73 3.71 1.90 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 1.42 0.91 0.93 0.00 0.00 116 K 8.10 4.08 0.00 1.91 1.88 0.00 1.81 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.79 7.81 117 A 8.32 4.06 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 0.00 118 A 8.09 3.99 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 0.00 119 I 7.83 3.48 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 1.26 0.47 -0.06 0.00 0.00 120 N 8.25 4.33 0.00 3.05 2.96 0.00 0.00 7.00 6.72 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 0.00 121 A 8.36 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.40 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 0.00 0.00 0.00 123 I 7.94 3.70 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.96 0.99 0.00 0.00 124 K 7.93 4.01 0.00 1.95 2.01 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 125 Q 8.02 3.84 0.00 1.82 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 1.25 2.07 0.00 126 Y 8.06 3.93 0.00 3.09 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 0.00 127 D 8.03 4.19 0.00 2.87 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 0.00 128 L 7.71 3.91 0.00 1.95 1.68 0.91 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 0.00 129 V 7.48 3.48 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 0.93 0.00 0.00 0.87 0.00 0.00 130 T 7.67 3.85 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 0.48 0.00 0.00 131 S 7.93 4.28 0.00 3.86 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 0.00 132 K 8.03 3.93 0.00 1.89 1.96 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 133 E 8.25 3.91 0.00 2.04 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 2.26 2.28 0.00 134 E 8.66 3.98 0.00 2.16 2.31 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 2.49 2.29 0.00 135 L 7.18 4.24 0.00 1.78 1.80 0.91 0.83 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 0.00 136 L 7.75 4.12 0.00 2.00 1.74 0.91 0.61 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 0.00 137 K 8.19 3.93 0.00 1.77 2.04 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 138 K 7.25 4.48 0.00 1.83 1.82 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.64 1.52 7.81 139 T 7.39 3.97 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 * Residues marked with a * may have inaccurate shift predictions.