NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 M 4.4455 8.1633 120.3188 55.0245 33.3348 176.4022 16 D 4.2554 8.5927 121.8674 55.0101 41.1208 174.5014 17 R 4.5387 7.7821 114.9028 54.8718 33.3053 174.4052 18 S 4.2343 8.4014 114.8843 58.4296 63.3259 174.4829 19 L 4.3349 8.2424 124.5490 54.6065 42.3481 177.9577 20 R 4.3600 9.5031 122.8684 54.6970 32.3637 176.3076 21 P 4.2704 0.0000 0.0000 66.0291 31.3780 178.5867 22 E 3.9804 8.3761 116.8347 60.0150 29.2140 179.4472 23 E 4.1175 8.0901 117.6145 59.3188 29.6620 179.2230 24 I 3.9757 7.9659 119.9604 63.9297 37.1238 178.3160 25 E 3.9738 8.3437 120.1605 59.4997 29.3403 179.2349 26 E 4.1404 8.1531 117.0581 59.2323 29.6830 179.0475 27 L 4.3251 7.9768 120.3571 57.8302 41.6931 179.5504 28 R 3.8460 8.2146 118.0287 59.1778 30.0050 178.9401 29 E 3.9562 8.3783 118.1052 59.4611 29.4512 179.3141 30 A 4.1246 8.3696 120.9190 55.0508 18.3948 179.4009 31 F 3.0667 8.4250 119.5532 61.0583 39.3475 177.4548 32 R 3.6658 7.9597 117.5940 59.1619 29.6843 178.4635 33 E 3.8501 7.6238 116.8995 59.2868 29.7076 178.0639 34 F 4.1937 8.1444 119.4482 61.7149 39.5112 176.5577 35 D 4.3174 8.4005 118.2910 56.8116 40.9084 177.3206 36 K 4.2050 7.4928 123.4998 56.2016 32.9834 181.0608 *42 I 3.9741 7.2417 119.1548 61.5916 39.0274 174.9906 43 N 4.9571 8.1018 123.5026 51.5082 40.8985 175.8623 44 C 4.2277 8.6230 121.2327 63.5680 27.6813 176.9342 45 R 3.9586 8.0461 121.7149 61.9341 28.8798 180.3996 46 D 4.7313 7.9979 118.6813 56.0296 41.1452 178.3802 47 L 4.2241 8.1094 121.4432 58.3384 41.9735 179.2100 48 G 3.7663 8.0090 104.8975 48.1623 0.0000 175.3096 49 N 4.4005 7.8299 118.2742 56.0318 38.7086 177.0497 50 C 4.4823 9.0062 120.6434 62.9520 31.6633 175.6339 51 M 4.3309 8.4885 120.3787 58.5176 31.5663 178.9982 52 R 4.3537 8.3523 119.7154 58.8693 29.9596 178.9012 53 T 4.0517 7.9939 115.4188 66.5930 68.5295 175.2169 54 M 4.5637 7.5419 114.7880 54.9862 31.6239 176.5487 55 G 3.9148 8.7289 107.7453 46.3325 0.0000 172.5522 56 Y 4.5997 8.0767 120.3095 55.5716 40.5652 174.7343 57 M 4.3171 7.7495 127.2699 53.1858 31.4780 173.8476 58 P 4.6802 0.0000 0.0000 61.8301 33.3309 176.8651 59 T 4.3289 9.2123 111.1706 60.7998 71.2486 175.6157 60 E 3.9207 8.5537 121.8393 59.7766 29.7177 178.4991 61 M 4.0038 8.0899 117.6604 58.7506 32.1681 177.9129 62 E 4.1797 8.2528 118.7898 59.3455 29.6262 179.2538 63 L 4.0426 7.8365 118.7748 57.7670 41.5320 179.6305 64 I 3.7104 7.9719 119.9812 64.4562 37.0914 178.3906 65 E 4.0044 8.2225 119.3175 59.4401 29.3271 179.4680 66 L 4.0273 8.1717 119.3939 57.8180 41.6422 179.7793 67 S 4.2671 8.1974 114.2049 61.4425 62.7642 176.4783 68 Q 4.0348 7.9268 121.7667 58.4783 28.2800 178.0545 69 Q 4.0099 8.1454 120.7736 58.8531 28.4919 178.0740 70 I 3.7312 7.8653 121.1399 64.4930 37.2869 178.0768 71 N 4.4451 8.5348 117.3178 55.9408 38.2387 177.1536 72 M 4.1007 7.6112 119.0255 57.7415 32.8701 176.9646 73 N 4.5938 7.5701 114.8019 55.1924 39.1858 175.8658 74 L 4.7015 7.5567 114.5830 53.4174 43.4504 179.1073 75 G 4.1320 8.9618 110.9125 46.3874 0.0000 174.2113 76 G 3.7887 7.9558 106.5221 45.8459 0.0000 174.7695 77 H 4.6785 8.4984 119.9308 54.0887 27.1055 175.6787 78 V 4.3226 7.6661 118.6739 61.5104 31.8604 175.5269 79 D 4.9657 8.7156 128.4731 52.1694 42.1393 176.7777 80 F 3.2932 8.3928 120.7781 61.4658 38.9720 176.6785 81 D 4.0369 7.9634 117.8279 57.0382 40.5184 178.3528 82 D 4.2534 7.8635 119.6837 57.1838 41.0154 178.0800 83 F 3.7817 8.1059 121.2171 61.6020 39.2811 177.4796 84 V 3.3609 7.4515 117.3406 66.0763 30.9979 177.8720 85 E 4.1192 7.3851 117.0686 58.8674 29.2856 178.9178 86 L 4.0101 7.8673 119.0710 57.2383 42.1154 178.2694 87 M 4.0584 8.0636 118.0659 56.2462 32.7109 178.4443 88 G 3.8246 7.9848 106.6233 47.7869 0.0000 173.9851 89 P 4.2433 0.0000 0.0000 64.6673 31.6092 178.7016 90 K 3.6221 7.5017 117.1272 58.8498 32.0820 178.7843 91 L 4.4557 7.9835 122.3089 57.7616 41.8482 179.0301 92 L 4.2227 7.7723 116.1760 56.5019 41.5730 177.9341 93 A 4.5543 7.2075 119.7354 51.0713 19.4909 176.7183 94 E 4.2174 7.8712 120.9586 57.5616 30.3323 176.9750 95 T 4.8291 8.2139 112.9410 59.6397 71.4564 175.1105 96 A 3.9409 8.5825 124.2347 55.7785 17.9048 179.7978 97 D 4.4572 7.9364 115.3872 56.3910 39.5522 178.1457 98 M 4.2093 8.0700 120.6194 58.0882 31.9042 178.2197 99 I 3.7071 7.4066 116.9041 60.9236 37.9316 175.1852 100 G 4.1146 7.2795 111.5494 45.1022 0.0000 174.7212 101 V 3.7054 8.3661 122.7285 66.5851 31.4309 179.2481 102 K 3.9857 7.9957 122.0362 59.8827 31.7956 180.2905 103 E 4.3437 8.1808 119.7128 59.1346 29.5840 178.4269 104 L 4.2203 8.6545 122.0345 58.7846 41.6239 180.4475 105 R 4.1922 8.3214 122.6042 61.4996 29.0954 182.1976 106 D 5.0151 8.6024 118.3477 55.5793 40.3118 179.9650 107 A 4.7909 7.9338 121.7879 55.2632 19.7466 178.9381 108 F 3.2890 8.3202 121.6739 61.9791 39.1548 177.8652 109 R 3.8145 8.3663 119.8410 61.8720 29.3056 180.1716 110 E 4.3051 8.3561 117.4618 59.5168 29.4569 179.2597 111 F 4.3343 7.8954 117.0620 59.4516 39.7304 176.2112 112 D 4.6114 8.2283 122.3401 54.1575 39.4048 177.2536 113 T 3.9614 8.5895 117.8492 63.1268 68.8737 174.9074 114 N 4.5317 7.7737 118.0230 53.0445 37.9838 175.3108 115 G 3.7680 7.6559 107.0795 46.1713 0.0000 173.1528 116 D 4.7499 8.0980 115.8974 52.7874 39.9042 177.4300 117 G 4.1500 8.6777 105.7156 46.8897 0.0000 173.6107 118 E 4.9830 7.7600 116.7436 54.4957 32.8700 175.1178 119 I 4.6505 8.6631 126.5036 59.1332 39.4593 175.4023 120 S 4.3567 8.5121 122.3668 58.0649 64.0929 175.6338 121 T 3.9634 8.6060 111.0189 64.9067 68.3348 176.8469 122 S 4.0707 7.9794 117.5605 61.5361 62.4246 176.1369 123 E 3.9130 7.6202 121.5701 59.2525 29.1120 179.1331 124 L 4.2743 8.0089 122.4756 58.8792 42.0993 179.6077 125 R 4.0675 8.5114 120.7324 61.6735 29.2022 180.0715 126 E 4.0505 8.4485 119.5497 59.1733 29.3111 179.1599 127 A 3.6443 8.9448 120.8807 55.6373 18.2223 179.6511 128 M 3.9281 8.6451 117.8032 58.3988 32.0069 179.0373 129 R 4.5677 8.4653 120.2305 58.9297 30.0492 178.4117 130 A 3.9546 8.3637 120.3082 55.0319 18.3986 179.4735 131 L 4.0636 8.5657 117.4305 58.1083 41.9726 179.4435 132 L 4.2087 8.1786 118.0495 56.2538 41.5632 178.4489 133 G 4.0598 9.1289 105.7419 44.9992 0.0000 172.0263 134 H 4.5609 7.4147 113.4840 54.2362 30.7382 172.6971 135 Q 4.2423 8.6683 121.4449 56.0252 29.3432 175.0910 136 V 4.3204 8.1202 124.5235 60.5580 33.6558 176.0772 137 G 3.9857 8.7467 113.6451 45.5359 0.0000 173.9514 138 H 4.4515 8.8371 119.4963 58.8083 28.8087 178.5769 139 R 3.7551 7.6992 122.8583 61.4370 29.1893 180.8000 140 D 4.5878 8.1395 119.4138 57.5526 40.7689 179.2280 141 I 3.7429 7.6274 119.4748 64.4167 37.2100 178.3092 142 E 4.0984 8.1422 118.7113 58.6725 29.2852 178.9724 143 E 3.9334 8.3015 120.0985 59.1705 29.7829 178.7144 144 I 3.6913 7.9305 119.8902 64.4854 37.1538 178.1509 145 I 3.6883 8.0430 120.8949 64.5800 36.7922 178.1153 146 R 3.8930 7.5734 117.3343 59.9421 29.9794 178.1105 147 D 4.4740 8.1197 116.5363 56.3689 40.8250 177.8534 148 V 4.4275 7.4284 116.6504 62.3233 33.2714 175.5005 149 D 4.7874 8.3170 118.5575 53.2990 40.5381 175.3042 150 L 4.6788 8.8602 126.6997 54.2807 41.5706 177.5632 151 N 4.8498 8.1024 112.2946 52.1297 39.0607 175.3170 152 G 4.3699 7.9948 104.8229 46.8332 0.0000 174.1204 153 D 4.5454 8.0434 116.7515 52.6248 39.5134 177.2840 154 G 3.9044 9.2591 109.9139 46.8505 0.0000 174.1294 155 R 4.8046 8.1721 118.2738 54.8334 34.2283 179.4308 156 V 4.6469 8.1508 118.0159 62.1875 33.2358 175.1398 157 D 5.0334 9.5716 129.0420 52.2829 41.3185 177.2182 158 F 3.4192 9.0001 120.3052 61.5612 38.8529 176.6975 159 E 3.7604 8.2292 118.0237 59.3564 29.3988 178.5320 160 E 3.9421 8.5697 118.6290 59.1576 29.2390 179.1410 161 F 4.0637 8.0199 120.2509 61.2295 39.7778 177.1300 162 V 3.3094 7.4740 117.8699 65.8092 31.0955 178.1236 163 R 3.9439 7.5853 117.6780 58.7176 29.6846 178.4411 164 M 4.0084 7.3895 117.4216 57.6862 32.2582 176.4584 165 M 4.5411 7.4804 117.9849 54.8143 32.7106 175.2737 166 S 4.8944 7.4004 113.5035 56.7878 66.7104 174.6300 167 R 4.1600 8.4223 120.1694 56.5177 30.0039 176.6111 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 15 M 8.16 4.45 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 16 D 8.59 4.26 0.00 2.74 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 17 R 7.78 4.54 0.00 2.03 1.88 0.00 3.09 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 18 S 8.40 4.23 0.00 3.88 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 19 L 8.24 4.33 0.00 1.63 1.61 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 R 9.50 4.36 0.00 1.98 1.87 0.00 3.13 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 21 P 0.00 4.27 0.00 2.17 2.12 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 22 E 8.38 3.98 0.00 2.09 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 2.45 2.53 0.00 23 E 8.09 4.12 0.00 2.22 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 2.45 2.45 0.00 24 I 7.97 3.98 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 1.14 0.00 0.00 25 E 8.34 3.97 0.00 2.19 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 2.36 2.49 0.00 26 E 8.15 4.14 0.00 2.28 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 0.00 2.58 2.51 0.00 27 L 7.98 4.33 0.00 2.15 2.21 0.91 0.98 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 28 R 8.21 3.85 0.00 2.07 1.84 0.00 2.97 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.51 0.00 29 E 8.38 3.96 0.00 2.27 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 2.35 2.58 0.00 30 A 8.37 4.12 1.77 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 0.00 0.00 31 F 8.42 3.07 0.00 2.49 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 32 R 7.96 3.67 0.00 2.02 1.89 0.00 3.15 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 33 E 7.62 3.85 0.00 1.98 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 0.00 2.35 2.34 0.00 34 F 8.14 4.19 0.00 3.09 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 35 D 8.40 4.32 0.00 1.92 2.27 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 36 K 7.49 4.21 0.00 1.90 1.66 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.31 7.81 *42 I 7.24 3.97 1.60 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.09 1.05 0.00 0.00 43 N 8.10 4.96 0.00 2.98 2.90 0.00 0.00 6.19 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 44 C 8.62 4.23 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 45 R 8.05 3.96 0.00 1.81 1.95 0.00 3.24 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 46 D 8.00 4.73 0.00 2.76 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 47 L 8.11 4.22 0.00 2.00 1.79 1.20 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.01 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 0.00 0.00 0.00 49 N 7.83 4.40 0.00 2.95 2.93 0.00 0.00 6.72 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 50 C 9.01 4.48 0.00 3.14 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 51 M 8.49 4.33 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.61 0.00 52 R 8.35 4.35 0.00 2.07 2.03 0.00 3.19 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 53 T 7.99 4.05 4.61 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 1.32 0.00 0.00 54 M 7.54 4.56 0.00 2.38 2.25 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.83 0.00 55 G 8.73 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 56 Y 8.08 4.60 0.00 2.96 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 57 M 7.75 4.32 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 58 P 0.00 4.68 0.00 2.27 2.30 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 59 T 9.21 4.33 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 1.20 0.00 0.00 60 E 8.55 3.92 0.00 2.11 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 2.38 2.44 0.00 61 M 8.09 4.00 0.00 2.18 2.06 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 2.68 2.71 0.00 62 E 8.25 4.18 0.00 2.35 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 2.39 2.41 0.00 63 L 7.84 4.04 0.00 2.04 1.75 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.97 3.71 2.01 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 1.54 0.83 0.92 0.00 0.00 65 E 8.22 4.00 0.00 2.17 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 2.34 2.44 0.00 66 L 8.17 4.03 0.00 1.72 1.75 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.20 4.27 0.00 4.11 4.18 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 68 Q 7.93 4.03 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 69 Q 8.15 4.01 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 70 I 7.87 3.73 2.06 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.03 1.14 0.00 0.00 71 N 8.53 4.45 0.00 2.78 2.87 0.00 0.00 6.74 7.47 0.00 0.00 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 M 7.61 4.10 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 73 N 7.57 4.59 0.00 3.01 2.87 0.00 0.00 6.86 7.73 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 74 L 7.56 4.70 0.00 1.94 1.65 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.96 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 0.00 0.00 0.00 76 G 7.96 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 77 H 8.50 4.68 0.00 3.23 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.67 4.32 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.18 0.00 0.00 79 D 8.72 4.97 0.00 3.08 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 80 F 8.39 3.29 0.00 2.53 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 81 D 7.96 4.04 0.00 2.88 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 82 D 7.86 4.25 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 83 F 8.11 3.78 0.00 3.00 2.79 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 84 V 7.45 3.36 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.19 0.00 0.00 85 E 7.39 4.12 0.00 1.91 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 2.41 2.37 0.00 86 L 7.87 4.01 0.00 1.39 1.46 0.86 0.67 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 87 M 8.06 4.06 0.00 1.55 1.45 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.31 0.00 88 G 7.98 3.82 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 0.00 0.00 0.00 89 P 0.00 4.24 0.00 1.90 2.04 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 90 K 7.50 3.62 0.00 1.42 0.74 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.47 1.06 7.81 91 L 7.98 4.46 0.00 1.59 1.78 1.01 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.77 4.22 0.00 1.64 1.70 0.89 0.65 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 93 A 7.21 4.55 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 94 E 7.87 4.22 0.00 2.27 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 2.61 2.54 0.00 95 T 8.21 4.83 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 1.20 0.00 0.00 96 A 8.58 3.94 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 97 D 7.94 4.46 0.00 2.82 2.79 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 98 M 8.07 4.21 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 99 I 7.41 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 1.51 0.62 1.04 0.00 0.00 100 G 7.28 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.37 3.71 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 1.03 0.00 0.00 0.99 0.00 0.00 102 K 8.00 3.99 0.00 1.89 1.72 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.08 7.81 103 E 8.18 4.34 0.00 2.05 2.29 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 2.44 2.40 0.00 104 L 8.65 4.22 0.00 2.23 2.14 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.32 4.19 0.00 1.85 1.94 0.00 3.25 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 106 D 8.60 5.02 0.00 2.72 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 0.00 107 A 7.93 4.79 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 0.00 108 F 8.32 3.29 0.00 3.06 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 0.00 109 R 8.37 3.81 0.00 1.91 1.86 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 110 E 8.36 4.31 0.00 2.25 2.13 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 2.37 2.76 0.00 111 F 7.90 4.33 0.00 2.80 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 0.00 112 D 8.23 4.61 0.00 2.02 2.39 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 0.00 113 T 8.59 3.96 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 0.00 114 N 7.77 4.53 0.00 2.91 2.95 0.00 0.00 7.20 6.88 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 0.00 115 G 7.66 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 0.00 0.00 0.00 116 D 8.10 4.75 0.00 2.81 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 0.00 117 G 8.68 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.76 4.98 0.00 1.96 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 2.25 2.39 0.00 119 I 8.66 4.65 1.97 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.70 1.03 0.00 0.00 120 S 8.51 4.36 0.00 3.91 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 0.00 121 T 8.61 3.96 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 1.24 0.00 0.00 122 S 7.98 4.07 0.00 3.88 3.94 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 0.00 123 E 7.62 3.91 0.00 2.15 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 0.00 2.30 2.31 0.00 124 L 8.01 4.27 0.00 1.91 1.93 1.22 1.05 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 0.00 125 R 8.51 4.07 0.00 1.80 1.94 0.00 3.34 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 1.57 1.56 0.00 126 E 8.45 4.05 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 2.53 2.44 0.00 127 A 8.94 3.64 0.40 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 0.00 128 M 8.65 3.93 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.91 0.00 129 R 8.47 4.57 0.00 1.85 2.15 0.00 3.17 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 130 A 8.36 3.95 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 0.00 131 L 8.57 4.06 0.00 1.54 1.75 1.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.18 4.21 0.00 1.52 1.70 0.90 1.30 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 0.00 133 G 9.13 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 134 H 7.41 4.56 0.00 3.26 3.37 0.00 5.47 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.67 4.24 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 136 V 8.12 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 0.87 0.00 0.00 0.91 0.00 0.00 137 G 8.75 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 0.00 0.00 0.00 0.00 138 H 8.84 4.45 0.00 3.35 3.57 0.00 5.48 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.70 3.76 0.00 1.84 1.99 0.00 3.27 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 1.64 1.30 0.00 140 D 8.14 4.59 0.00 2.86 2.77 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 0.00 141 I 7.63 3.74 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 1.76 0.98 0.94 0.00 0.00 142 E 8.14 4.10 0.00 2.13 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 2.36 2.59 0.00 143 E 8.30 3.93 0.00 2.03 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 2.30 2.34 0.00 144 I 7.93 3.69 2.07 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 1.54 1.03 0.96 0.00 0.00 145 I 8.04 3.69 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.03 0.94 0.00 0.00 146 R 7.57 3.89 0.00 2.03 2.12 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 147 D 8.12 4.47 0.00 2.86 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 0.00 148 V 7.43 4.43 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 0.86 0.00 0.00 0.92 0.00 0.00 149 D 8.32 4.79 0.00 2.84 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 0.00 150 L 8.86 4.68 0.00 1.63 1.65 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.10 4.85 0.00 2.83 2.96 0.00 0.00 6.92 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 0.00 152 G 7.99 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 0.00 0.00 0.00 0.00 153 D 8.04 4.55 0.00 2.69 2.79 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 0.00 154 G 9.26 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 0.00 155 R 8.17 4.80 0.00 1.57 1.65 0.00 3.23 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 156 V 8.15 4.65 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 1.10 0.00 0.00 1.02 0.00 0.00 157 D 9.57 5.03 0.00 2.87 2.86 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 0.00 158 F 9.00 3.42 0.00 2.61 2.96 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 0.00 159 E 8.23 3.76 0.00 2.14 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 2.34 2.43 0.00 160 E 8.57 3.94 0.00 2.28 2.13 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 2.41 2.40 0.00 161 F 8.02 4.06 0.00 3.08 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 0.00 162 V 7.47 3.31 1.83 0.00 0.00 0.00 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 0.10 0.00 0.00 163 R 7.59 3.94 0.00 1.76 1.88 0.00 3.13 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 164 M 7.39 4.01 0.00 1.63 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 165 M 7.48 4.54 0.00 1.98 1.65 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 166 S 7.40 4.89 0.00 3.66 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.42 4.16 0.00 1.77 1.81 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.