NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3385 8.0276 120.6254 54.3229 43.2043 177.5546 3 S 3.9914 8.5083 116.8210 61.1502 62.6528 175.1797 4 Q 3.9975 8.9312 122.9172 59.3395 28.6170 180.1293 5 T 3.8913 7.6270 115.7229 66.3614 68.5775 176.2533 6 L 4.1186 7.7954 120.6223 58.0938 42.4104 178.1344 7 L 4.2216 8.2253 120.5485 58.2358 41.9063 179.8469 8 E 4.2841 8.0289 115.8014 57.1701 29.0084 179.0665 *10 T 4.0594 7.8102 116.9837 63.7750 70.6467 175.5646 11 E 4.0575 8.3522 120.8186 59.3736 29.7161 179.3074 12 Q 3.9103 8.2357 116.9835 56.9175 28.6317 177.6391 *14 I 3.9802 7.8727 118.8439 60.8985 39.3192 177.6540 15 E 3.9084 8.2335 120.4320 59.2078 29.3145 178.8218 16 V 3.5948 8.1291 118.3598 66.0741 31.5240 177.9072 17 A 3.9602 8.0045 119.8288 55.2928 18.3263 179.3684 18 E 3.9642 8.5522 117.5248 59.4816 29.5432 179.7679 19 K 4.1533 8.8027 119.1416 59.1745 31.9811 179.6804 20 G 3.5270 8.3643 106.2934 47.6500 0.0000 175.5620 21 A 4.3869 8.3225 123.3207 55.2666 18.4409 179.5317 22 D 4.3300 8.0232 117.0120 57.4105 40.8047 178.9917 23 R 3.8380 8.1227 119.3641 59.3066 30.0335 177.8672 24 Y 3.7624 8.0607 119.5938 60.7090 38.7270 177.9342 25 Q 3.6718 7.9601 120.3499 59.1289 29.1060 177.8607 26 E 3.9859 8.3216 120.4932 59.1488 29.4862 179.0597 27 G 3.4438 8.0661 106.0240 47.4208 0.0000 176.0005 28 K 3.6729 7.2337 120.0259 59.0442 32.0904 179.0380 29 N 4.6233 7.7689 115.6621 55.0125 39.4135 176.2588 30 S 4.3789 7.8165 116.9098 55.4517 63.0044 172.0970 31 N 4.4299 8.3557 122.4184 53.0589 39.2977 173.5536 32 H 4.6193 8.3608 122.5620 54.3413 32.7309 173.1051 33 S 4.3328 8.1695 122.9966 57.7799 61.9634 173.4710 34 Y 4.2666 8.2260 123.4029 57.1927 38.7657 175.5596 35 D 4.5032 8.6844 123.2531 54.0844 42.1383 176.4409 36 F 3.7753 8.8971 129.4090 61.4181 39.7314 177.1904 37 F 4.1808 8.1095 117.8660 59.8253 39.0485 176.4420 38 E 4.3836 8.8612 119.1744 57.5476 30.2260 176.3293 39 T 4.2801 7.4995 112.6608 64.7466 70.9257 175.8117 40 I 2.6945 7.2204 121.7382 63.8385 36.9116 178.1812 41 K 3.3969 7.3308 120.5489 59.0932 31.9345 177.2307 42 P 4.4000 0.0000 0.0000 65.0579 31.1973 178.2467 43 A 3.8891 7.5552 120.8826 54.8737 18.1652 179.8040 44 V 3.4619 7.7358 116.8225 66.0216 31.1000 178.0681 45 E 3.9464 8.3109 118.5594 59.5831 29.3857 179.2084 46 E 4.0270 8.3334 118.6146 59.6719 29.5224 179.2826 47 N 4.6273 8.3042 116.1372 55.7994 38.5589 177.1487 48 D 4.4135 8.3664 120.3770 57.3337 41.3451 178.0589 49 E 3.9818 8.2342 119.1573 59.2233 29.5012 178.9933 50 L 3.9253 8.0959 120.0769 58.2700 42.1583 178.8497 51 A 3.9062 8.4847 120.8088 55.0572 18.2723 179.5099 52 A 3.9867 8.1324 119.2196 55.5465 18.5991 180.1773 53 R 4.4620 8.0093 117.9750 58.4266 30.0284 179.2032 54 W 3.9820 8.4218 128.0578 60.3792 30.7718 177.7367 55 A 3.5445 8.3863 120.8351 55.2162 17.9072 179.1598 56 E 3.8847 8.2035 117.7982 59.3537 29.5696 179.3660 57 G 3.4174 7.9033 105.4107 47.4589 0.0000 175.6056 58 A 3.5706 7.9079 123.5344 54.7769 18.1315 179.7207 59 L 3.8381 8.1852 117.7504 57.8349 41.6634 179.6089 60 E 3.8726 8.0482 118.5130 59.3265 28.9413 178.9160 61 L 3.8684 7.9820 120.7727 58.2291 41.8460 178.8391 62 I 3.7081 7.3266 110.3889 62.7494 37.8728 177.9366 63 K 4.1234 7.4368 120.4732 59.0182 32.1540 178.9305 64 V 3.8253 7.3792 118.1709 63.3545 31.4221 176.6484 65 R 4.4529 6.9104 116.6994 53.2180 33.2240 175.1564 66 R 4.0765 8.6269 122.0094 55.4967 29.6855 174.8634 67 P 4.4110 0.0000 0.0000 62.3485 32.1458 176.7739 68 K 3.8668 8.5776 120.8361 59.1866 32.1902 177.4187 69 Y 5.0496 8.3131 113.1335 57.3360 38.5495 175.6171 70 V 5.2134 7.4041 118.3101 58.4874 34.4089 174.9059 71 H 5.0391 8.5688 119.0301 52.6789 33.7383 174.3681 72 K 3.7830 8.6389 122.3268 60.3088 31.9236 178.2881 73 E 4.1174 8.2980 117.8678 59.5775 29.3360 179.1615 74 Q 4.0139 8.0637 118.8643 59.2315 29.2247 178.1917 75 I 3.8123 7.6201 120.2377 64.6638 36.9766 178.2865 76 E 4.0445 8.3821 118.0309 59.4334 29.6000 179.1054 77 A 4.1756 8.1240 120.2984 54.3833 18.3019 179.7233 78 V 3.5712 7.7401 117.1120 66.6273 31.5018 177.3699 79 K 3.8916 8.3620 117.6470 60.6875 31.8891 177.6402 80 D 4.3973 8.0640 117.7546 57.5714 40.9100 178.7564 81 N 4.3204 7.8527 116.2087 56.1263 38.4995 177.2463 82 F 4.0969 8.9299 122.5169 61.4373 39.5123 177.2549 83 L 3.8245 8.3334 118.8237 57.4880 41.3017 179.1931 84 E 3.8905 8.1198 119.4180 59.0484 29.7307 178.3714 85 L 3.7412 7.9818 120.7812 58.1291 41.7593 179.1609 86 V 3.3788 7.5544 117.9666 65.8294 31.5151 177.5981 87 L 4.0489 7.8262 119.9373 58.5567 42.0001 179.1014 88 Q 4.2242 8.6628 118.1644 58.5913 28.3535 178.7965 89 S 4.2470 7.9019 114.6849 61.1342 62.9055 175.6574 90 Y 4.1166 7.0798 119.3694 60.0571 38.2440 177.5228 91 V 3.8741 7.8736 110.8741 60.8787 33.0713 175.8590 92 H 4.3451 8.5509 114.5007 56.8084 27.9426 175.3365 93 H 4.5002 8.7984 119.5154 59.4687 29.2892 177.2891 94 I 3.9238 7.8796 110.7446 60.8619 38.2643 175.7761 95 H 4.7544 8.4364 118.5677 54.9999 30.7181 176.6775 96 K 4.1468 8.8620 121.9446 59.9631 31.8204 179.2174 97 K 3.9078 8.1735 118.9122 59.6676 32.1326 178.5384 98 R 3.8580 8.0132 118.3273 59.3870 30.0981 177.9735 99 F 3.7192 8.2980 120.4857 60.9469 39.2428 177.0096 100 K 3.8830 8.3958 119.4532 59.5139 32.0221 178.3511 101 D 4.3306 8.2354 119.5905 57.5381 40.7552 179.0756 102 I 3.6918 7.5629 113.4021 64.1012 37.4758 178.4140 103 T 3.6046 7.4482 117.4683 66.3693 68.2483 176.4375 104 E 3.9365 8.4773 120.8948 59.3860 29.5606 179.4440 105 S 4.1093 8.0118 113.1157 61.3040 62.4764 176.3609 106 V 3.5065 7.8729 120.9146 66.0419 31.2821 177.8416 107 L 3.8021 8.0526 118.9437 57.9253 41.4031 178.9886 108 Y 4.1100 8.0315 119.2673 61.1077 38.7214 178.2212 109 T 3.6230 7.7592 116.1228 66.4313 68.4992 176.6369 110 L 3.9476 7.8776 120.9068 58.2251 41.6042 179.3559 111 H 4.2507 8.3890 116.2618 58.5732 28.4717 177.7858 112 A 3.8389 7.9003 123.0897 55.1279 18.1509 179.8079 113 V 3.5058 7.9565 116.9126 65.9565 31.6175 178.0411 114 K 3.9328 8.2575 119.3614 59.6735 31.9873 178.4343 115 D 4.3948 8.4432 119.4690 57.4204 40.6735 178.6184 116 E 3.9365 8.4260 119.1707 59.4547 29.4895 179.2650 117 I 3.6403 7.9301 119.5751 64.5803 36.7201 178.2383 118 A 4.0437 8.0733 121.2557 55.1668 17.9506 179.6894 119 R 3.8364 7.9691 116.3007 59.7331 30.5951 178.3336 120 E 4.1511 8.4776 118.1864 58.6118 29.3820 178.0916 121 D 4.5336 8.4981 117.1297 55.8235 41.4121 177.1678 122 S 4.5328 7.3849 112.8718 57.8640 63.2359 174.1731 123 R 4.2057 7.5669 126.5553 56.7559 30.4225 175.9821 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 2 L 8.03 4.34 0.00 1.72 1.94 0.92 0.50 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 3 S 8.51 3.99 0.00 4.10 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 4 Q 8.93 4.00 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 5 T 7.63 3.89 4.34 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 1.22 0.00 0.00 6 L 7.80 4.12 0.00 1.70 1.68 0.78 0.64 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 7 L 8.23 4.22 0.00 1.87 1.86 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.03 4.28 0.00 2.24 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 2.34 2.68 0.00 *10 T 7.81 4.06 4.51 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 1.27 0.00 0.00 11 E 8.35 4.06 0.00 2.12 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 2.45 2.40 0.00 12 Q 8.24 3.91 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 *14 I 7.87 3.98 1.99 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 1.12 0.61 0.91 0.00 0.00 15 E 8.23 3.91 0.00 2.05 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 0.00 2.32 2.32 0.00 16 V 8.13 3.59 2.33 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 1.06 0.00 0.00 1.09 0.00 0.00 17 A 8.00 3.96 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 18 E 8.55 3.96 0.00 2.02 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 2.34 2.60 0.00 19 K 8.80 4.15 0.00 1.81 1.83 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 20 G 8.36 3.53 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 0.00 0.00 0.00 21 A 8.32 4.39 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.02 4.33 0.00 2.92 2.72 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 23 R 8.12 3.84 0.00 1.81 1.85 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 24 Y 8.06 3.76 0.00 2.42 2.48 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 25 Q 7.96 3.67 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 26 E 8.32 3.99 0.00 2.16 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 2.29 2.34 0.00 27 G 8.07 3.44 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 0.00 0.00 0.00 28 K 7.23 3.67 0.00 1.54 1.63 0.00 1.53 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.62 0.89 7.81 29 N 7.77 4.62 0.00 2.62 2.81 0.00 0.00 6.75 6.85 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 30 S 7.82 4.38 0.00 3.71 3.83 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 0.00 0.00 0.00 0.00 31 N 8.36 4.43 0.00 2.68 2.71 0.00 0.00 7.03 7.89 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 32 H 8.36 4.62 0.00 2.93 2.84 0.00 5.78 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 33 S 8.17 4.33 0.00 3.76 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 34 Y 8.23 4.27 0.00 3.13 2.92 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 0.00 0.00 0.00 35 D 8.68 4.50 0.00 2.82 2.59 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 0.00 0.00 0.00 0.00 36 F 8.90 3.78 0.00 3.02 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 37 F 8.11 4.18 0.00 3.19 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 38 E 8.86 4.38 0.00 2.09 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 2.48 2.46 0.00 39 T 7.50 4.28 4.31 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 0.00 0.00 1.02 0.00 0.00 40 I 7.22 2.69 1.32 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.48 0.64 0.00 0.00 41 K 7.33 3.40 0.00 0.79 1.45 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.47 1.32 7.81 42 P 0.00 4.40 0.00 2.23 2.23 0.00 3.55 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 2.09 1.85 0.00 43 A 7.56 3.89 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 44 V 7.74 3.46 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 1.09 0.00 0.00 0.89 0.00 0.00 45 E 8.31 3.95 0.00 2.01 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 2.32 2.57 0.00 46 E 8.33 4.03 0.00 2.07 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 2.41 0.00 47 N 8.30 4.63 0.00 2.90 3.08 0.00 0.00 6.69 8.23 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 48 D 8.37 4.41 0.00 2.85 2.92 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 0.00 0.00 0.00 49 E 8.23 3.98 0.00 2.28 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 2.53 0.00 50 L 8.10 3.93 0.00 1.81 1.91 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.48 3.91 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 52 A 8.13 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 53 R 8.01 4.46 0.00 1.95 2.02 0.00 3.18 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 54 W 8.42 3.98 0.00 3.40 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 55 A 8.39 3.54 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.20 3.88 0.00 2.00 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 0.00 2.37 2.44 0.00 57 G 7.90 3.42 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 0.00 58 A 7.91 3.57 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 3.84 0.00 1.72 1.65 0.87 1.00 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 60 E 8.05 3.87 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 61 L 7.98 3.87 0.00 1.69 1.79 0.86 1.18 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 62 I 7.33 3.71 1.83 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 1.52 0.66 0.86 0.00 0.00 63 K 7.44 4.12 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.40 7.81 64 V 7.38 3.83 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 0.77 0.00 0.00 0.90 0.00 0.00 65 R 6.91 4.45 0.00 1.56 1.79 0.00 3.14 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 66 R 8.63 4.08 0.00 1.78 1.91 0.00 3.20 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 67 P 0.00 4.41 0.00 2.12 1.98 0.00 3.73 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 2.01 1.87 0.00 68 K 8.58 3.87 0.00 1.38 1.25 0.00 1.39 0.00 0.00 1.50 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.40 0.21 7.81 69 Y 8.31 5.05 0.00 3.07 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 70 V 7.40 5.21 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 0.57 0.00 0.00 0.96 0.00 0.00 71 H 8.57 5.04 0.00 3.18 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.64 3.78 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.64 1.54 7.81 73 E 8.30 4.12 0.00 2.13 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 2.42 2.46 0.00 74 Q 8.06 4.01 0.00 2.20 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 75 I 7.62 3.81 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.11 0.69 0.00 0.00 76 E 8.38 4.04 0.00 2.08 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 2.36 2.54 0.00 77 A 8.12 4.18 1.44 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 0.00 0.00 78 V 7.74 3.57 2.38 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 0.64 0.00 0.00 1.08 0.00 0.00 79 K 8.36 3.89 0.00 1.94 1.84 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.66 7.81 80 D 8.06 4.40 0.00 2.75 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 81 N 7.85 4.32 0.00 3.00 2.83 0.00 0.00 6.66 8.01 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 82 F 8.93 4.10 0.00 3.00 3.21 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 83 L 8.33 3.82 0.00 1.87 1.70 1.21 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.12 3.89 0.00 2.05 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 2.27 2.32 0.00 85 L 7.98 3.74 0.00 1.43 1.72 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.55 3.38 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 0.94 0.00 0.00 0.26 0.00 0.00 87 L 7.83 4.05 0.00 1.83 1.82 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.66 4.22 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 89 S 7.90 4.25 0.00 3.95 4.07 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 90 Y 7.08 4.12 0.00 3.10 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 91 V 7.87 3.87 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 0.88 0.00 0.00 1.01 0.00 0.00 92 H 8.55 4.35 0.00 2.87 3.38 0.00 5.75 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 93 H 8.80 4.50 0.00 3.33 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.88 3.92 1.95 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 1.76 0.71 1.03 0.00 0.00 95 H 8.44 4.75 0.00 3.28 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.86 4.15 0.00 1.86 2.03 0.00 1.82 0.00 0.00 1.96 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.53 7.81 97 K 8.17 3.91 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.53 7.81 98 R 8.01 3.86 0.00 2.01 2.13 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 99 F 8.30 3.72 0.00 2.63 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 0.00 100 K 8.40 3.88 0.00 2.00 1.98 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 101 D 8.24 4.33 0.00 2.83 2.68 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 0.00 102 I 7.56 3.69 1.72 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 1.45 0.13 0.92 0.00 0.00 103 T 7.45 3.60 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 1.11 0.00 0.00 104 E 8.48 3.94 0.00 2.09 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 2.32 2.54 0.00 105 S 8.01 4.11 0.00 3.97 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 0.00 106 V 7.87 3.51 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 0.94 0.00 0.00 1.00 0.00 0.00 107 L 8.05 3.80 0.00 1.77 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.03 4.11 0.00 3.12 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 0.00 109 T 7.76 3.62 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 1.44 0.00 0.00 110 L 7.88 3.95 0.00 1.61 1.49 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.39 4.25 0.00 3.22 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.90 3.84 1.03 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 0.00 113 V 7.96 3.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.13 0.00 0.00 114 K 8.26 3.93 0.00 1.99 2.05 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 115 D 8.44 4.39 0.00 2.91 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 0.00 116 E 8.43 3.94 0.00 2.11 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 0.00 2.52 2.47 0.00 117 I 7.93 3.64 2.04 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 1.43 0.72 0.91 0.00 0.00 118 A 8.07 4.04 1.37 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 0.00 119 R 7.97 3.84 0.00 1.94 2.11 0.00 3.21 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 1.62 1.66 0.00 120 E 8.48 4.15 0.00 2.09 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 2.28 2.27 0.00 121 D 8.50 4.53 0.00 2.70 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 0.00 122 S 7.38 4.53 0.00 3.96 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 0.00 123 R 7.57 4.21 0.00 1.97 1.94 0.00 3.19 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 1.54 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.