NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1493 8.2649 123.5830 51.8604 21.1197 176.2116 *2 I 4.0706 7.3301 114.2265 60.8192 38.4994 176.1167 3 V 4.0621 8.5507 125.4191 63.0819 32.5421 176.2510 4 G 4.6434 7.4670 105.5726 46.2812 0.0000 172.1123 5 L 5.2744 8.1704 122.0828 53.1597 45.8618 175.2883 6 G 4.3973 9.0991 111.6916 45.1004 0.0000 171.1697 7 T 5.2435 8.2311 115.3267 60.8682 71.1202 172.1789 8 D 4.7275 8.7168 123.6233 53.2119 45.2017 173.7469 9 I 5.1169 8.4759 124.1257 59.1669 41.1442 174.2050 10 A 4.9129 9.3008 129.9158 50.0679 22.1386 174.8098 11 E 4.5634 8.9120 123.2742 55.4874 30.4613 177.3861 12 I 3.7607 8.5238 128.5260 64.4013 37.0417 178.0491 13 E 4.0666 8.0585 119.7515 59.3671 29.4436 178.9598 14 R 3.8344 7.6581 117.3702 59.0760 30.0451 179.2430 15 V 3.5444 7.6244 117.6200 65.9442 31.6790 177.7126 16 E 4.0124 8.3340 118.4180 59.4729 29.1904 179.5533 17 K 3.9423 8.3342 118.4568 59.3245 32.0788 179.2310 18 A 3.7375 7.8072 121.0458 55.0914 18.1753 179.7256 19 L 4.1851 8.2164 117.3275 57.9191 41.4996 179.6000 20 A 4.0859 8.0257 119.6978 54.3366 18.2761 179.2390 21 R 4.2593 7.3855 115.8165 58.1701 31.1750 178.1945 22 S 4.7117 8.5382 112.6335 56.0102 64.6844 176.3769 23 G 4.0151 8.7607 111.1051 45.8532 0.0000 175.4332 24 E 3.9902 9.1161 124.4787 59.1802 28.9768 177.4960 25 N 4.4622 7.8158 115.8889 56.1012 38.9669 176.9794 26 F 4.4716 8.1998 121.3510 61.3670 39.6294 176.9491 27 A 3.3708 8.0856 120.5388 55.1082 17.8591 179.8493 28 R 3.7936 8.1752 115.7324 58.9695 30.1379 178.9165 29 R 4.0031 7.5425 117.7994 58.7130 30.0637 177.7717 30 I 3.6608 7.1241 117.9743 61.3762 38.2837 175.7766 31 L 4.8226 7.2110 118.5649 53.0331 43.6437 177.0818 32 T 4.0266 8.5563 113.1031 61.2399 70.8056 175.6498 33 D 4.3619 8.3980 121.1162 57.4376 41.0612 178.7647 34 S 4.2481 7.9521 113.3616 61.4613 62.5440 175.9053 35 E 4.2496 8.1411 120.5923 59.0459 29.1489 179.2098 36 L 4.0371 7.9083 119.1707 57.4196 41.3989 179.3000 37 E 3.9955 7.8190 117.5339 59.5810 29.2017 179.3722 38 Q 3.9989 7.9886 116.3725 58.6609 29.1797 177.8475 39 F 2.8543 7.9142 121.7079 61.3969 39.1346 177.0349 40 H 4.0168 8.2479 114.3939 58.4791 28.5482 177.1221 41 A 4.0899 7.4201 120.8569 52.7204 18.7786 177.7906 42 S 4.1485 6.8883 112.1694 58.2096 62.9312 173.8668 43 K 4.4431 8.4425 123.6814 56.3768 33.1422 176.9214 44 Q 4.6097 8.0006 117.4236 54.0486 29.4795 176.1328 45 Q 4.0220 7.9209 119.9953 58.7916 29.2046 178.8865 46 G 3.7334 8.1241 106.4353 47.9596 0.0000 175.8714 47 R 3.9936 8.0229 120.1844 58.7405 30.2573 178.6467 48 F 4.0606 8.5256 120.5739 61.4118 39.4413 177.0310 49 L 4.1644 8.8670 120.1368 58.0721 41.8767 178.6343 50 A 4.1209 8.4015 120.9912 55.1542 18.2460 179.8074 51 K 3.9673 8.0424 116.5993 59.6757 32.0359 179.8793 52 R 3.8551 7.8179 117.9055 58.9933 29.9100 178.7889 53 F 3.9971 8.7250 120.7001 61.3428 39.3763 177.0792 54 A 4.5294 8.6617 121.4681 54.6080 18.2038 179.3895 55 A 3.8605 8.1752 119.4087 55.3472 18.4113 180.1122 56 K 3.4978 8.2587 117.2537 59.3045 32.1472 179.5317 57 E 3.6215 8.1080 118.7844 59.1707 29.3467 179.1929 58 A 3.8709 8.0097 120.6394 55.0639 18.4899 179.5476 59 A 3.8317 7.7338 119.4423 55.2387 18.4807 180.0656 60 S 4.1719 7.6149 112.7988 61.4475 63.1038 176.8993 61 K 3.9887 7.9588 121.9069 59.0135 31.8029 179.1707 62 A 4.2634 7.8666 122.4982 54.4345 18.0318 179.4564 63 L 4.1511 7.6588 116.5037 56.0235 41.8405 178.3534 64 G 4.0021 7.9827 106.2607 45.2579 0.0000 173.7634 65 T 4.2699 7.6005 108.3491 60.1016 70.8627 175.8013 66 G 4.0813 7.7329 110.5570 45.9206 0.0000 173.7695 67 I 3.9218 7.8687 117.7124 59.3648 35.6481 174.6113 68 A 4.1652 8.4293 126.4547 52.3603 22.7019 176.1138 69 Q 3.5746 9.8222 114.9022 57.2033 26.0479 175.6756 70 G 3.9093 8.4983 106.5331 45.2486 0.0000 174.4639 71 V 4.0060 7.6818 121.1948 62.3047 32.0998 175.0383 72 T 4.7976 8.3705 116.5796 59.2133 71.7421 174.9124 73 F 4.3329 8.6579 120.2797 61.1801 38.9721 177.2361 74 H 4.6427 7.9470 115.9203 57.5716 28.7606 175.7906 75 D 4.4569 8.0936 118.8018 54.2714 40.9396 175.4618 76 F 5.3518 7.8031 117.8807 55.8187 42.0841 174.7823 77 T 4.8243 8.9121 119.2299 61.8998 71.8159 172.8236 78 I 4.9191 9.2606 128.2105 60.0627 39.0365 175.2404 79 S 4.8691 8.8824 120.6269 57.3585 66.7775 172.1023 80 H 5.4453 8.6071 114.6844 54.6443 33.0102 173.4187 81 D 4.7606 8.7104 121.1568 52.0483 41.5511 177.2740 82 K 3.9730 8.7475 117.0096 59.4459 31.9839 178.1325 83 L 4.2522 7.9976 115.8804 54.8845 41.9284 177.3492 84 G 3.9870 8.1790 107.7564 44.4093 0.0000 173.8987 85 K 4.2476 8.2462 122.8724 55.7612 33.1424 174.4091 86 P 4.8599 0.0000 0.0000 62.6510 32.5666 175.4120 87 L 4.8727 9.0458 121.1815 52.8589 45.8322 175.0312 88 L 5.1276 8.5496 123.7810 53.3395 44.5458 175.3335 89 I 4.6129 8.6981 126.6117 59.5543 40.1671 174.8887 90 L 5.1000 8.5383 126.4613 54.0307 43.3074 175.5475 91 S 4.2995 8.6607 115.1235 57.5395 66.8793 174.4863 92 G 3.9476 8.7747 107.9345 46.5250 0.0000 175.5283 93 Q 3.9026 8.5321 118.3675 58.9103 28.9712 178.3132 94 A 3.8438 7.9241 121.2858 55.1196 18.4344 179.3082 95 A 3.9022 7.7862 119.1748 55.1764 18.5151 179.6893 96 E 3.8929 8.0523 117.1280 59.6311 29.5732 179.6800 97 L 3.9836 8.2482 119.0781 57.6620 41.7092 179.2885 98 A 4.0329 8.3729 121.4540 55.2455 18.2971 179.8681 99 S 4.2234 8.2049 112.7247 61.6218 63.0133 176.7402 100 Q 4.0708 7.8803 120.1456 57.8871 28.5272 177.4857 101 L 4.3455 7.6610 117.7526 53.7191 42.5606 176.2414 102 Q 3.5953 8.1400 117.6925 56.7168 26.6053 173.6911 103 V 3.8821 8.2667 117.9662 63.2413 32.0101 175.1124 104 E 4.7462 9.1568 124.9257 55.7615 32.3346 175.6929 105 N 4.9945 8.1188 116.6515 51.3152 42.4172 173.2716 106 I 4.9939 8.3726 123.9391 59.7056 40.2288 174.6046 107 H 5.0054 9.1721 123.5024 53.8448 32.1017 172.5425 108 L 5.1819 8.5174 123.6134 53.4284 45.2077 175.2337 109 S 4.8471 9.1290 119.5934 56.6489 66.1374 172.5478 110 I 5.0740 8.2679 124.6328 59.8396 40.5723 174.6764 111 S 4.6933 8.4353 118.0305 56.9641 65.4949 172.4955 112 D 5.0383 8.3889 123.8577 51.7247 41.2111 174.7139 113 E 4.9087 8.8328 118.6530 55.1079 32.0792 176.0087 114 R 3.9623 8.9608 116.0437 59.9278 30.2915 177.1989 115 H 4.5590 9.0362 113.5331 55.8587 30.4401 173.9276 116 Y 5.3272 7.6986 115.3682 56.0823 42.2319 174.5505 117 A 5.4256 9.1217 123.2207 49.1353 23.1018 174.8276 *119 A 4.5448 8.2264 118.9557 52.4757 20.4759 175.9898 120 T 5.0809 8.6063 115.1416 61.7669 73.0233 173.4113 121 V 4.9298 8.8840 124.3960 61.2103 35.2866 174.1501 122 I 5.0194 8.8529 127.6199 59.5571 40.7051 174.1976 123 L 4.9433 8.8475 126.9160 53.1479 44.0207 175.2213 124 E 5.0069 9.0969 123.5138 54.2615 33.4827 175.6883 125 R 4.6041 8.5104 120.6078 55.5012 29.7343 175.6566 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 0 A 8.26 4.15 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 7.33 4.07 1.87 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 1.47 0.59 0.98 0.00 0.00 3 V 8.55 4.06 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 0.70 0.00 0.00 0.93 0.00 0.00 4 G 7.47 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.17 5.27 0.00 1.71 1.44 0.97 0.98 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 6 G 9.10 4.40 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 0.00 7 T 8.23 5.24 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 1.19 0.00 0.00 8 D 8.72 4.73 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.48 5.12 1.86 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.32 0.91 0.00 0.00 10 A 9.30 4.91 1.40 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 11 E 8.91 4.56 0.00 2.16 1.87 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 2.25 2.07 0.00 12 I 8.52 3.76 1.80 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 1.43 0.42 0.91 0.00 0.00 13 E 8.06 4.07 0.00 1.97 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 2.35 2.38 0.00 14 R 7.66 3.83 0.00 2.03 1.87 0.00 3.22 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 15 V 7.62 3.54 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 1.25 0.00 0.00 0.81 0.00 0.00 16 E 8.33 4.01 0.00 2.20 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 2.36 2.49 0.00 17 K 8.33 3.94 0.00 1.84 1.79 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 18 A 7.81 3.74 0.51 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 0.00 0.00 0.00 19 L 8.22 4.19 0.00 1.97 1.87 1.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.03 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.39 4.26 0.00 1.67 1.94 0.00 3.05 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 22 S 8.54 4.71 0.00 3.89 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 23 G 8.76 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 0.00 0.00 0.00 24 E 9.12 3.99 0.00 2.16 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 2.45 2.54 0.00 25 N 7.82 4.46 0.00 2.91 2.93 0.00 0.00 7.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.20 4.47 0.00 3.02 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.09 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.18 3.79 0.00 1.87 2.02 0.00 3.20 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 29 R 7.54 4.00 0.00 1.99 1.97 0.00 3.37 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 30 I 7.12 3.66 1.44 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.35 0.65 0.00 0.00 31 L 7.21 4.82 0.00 1.42 1.50 0.47 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.56 4.03 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 1.23 0.00 0.00 33 D 8.40 4.36 0.00 2.65 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 34 S 7.95 4.25 0.00 3.89 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 35 E 8.14 4.25 0.00 2.23 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 2.41 2.40 0.00 36 L 7.91 4.04 0.00 1.88 1.61 0.96 0.67 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 37 E 7.82 4.00 0.00 2.09 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 2.36 2.37 0.00 38 Q 7.99 4.00 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.02 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 39 F 7.91 2.85 0.00 2.68 2.93 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 0.00 0.00 0.00 40 H 8.25 4.02 0.00 3.10 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.42 4.09 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 6.89 4.15 0.00 3.57 3.48 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 43 K 8.44 4.44 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.38 7.81 44 Q 8.00 4.61 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 45 Q 7.92 4.02 0.00 1.91 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 1.59 2.15 0.00 46 G 8.12 3.73 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 0.00 47 R 8.02 3.99 0.00 2.07 2.04 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.53 4.06 0.00 3.33 3.35 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 49 L 8.87 4.16 0.00 2.15 1.98 0.64 0.80 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 50 A 8.40 4.12 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 51 K 8.04 3.97 0.00 1.91 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.60 7.81 52 R 7.82 3.86 0.00 1.97 1.97 0.00 3.24 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 53 F 8.72 4.00 0.00 3.11 3.25 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 54 A 8.66 4.53 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 55 A 8.18 3.86 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 56 K 8.26 3.50 0.00 1.87 1.80 0.00 1.88 0.00 0.00 2.17 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 57 E 8.11 3.62 0.00 1.78 1.82 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 2.03 1.69 0.00 58 A 8.01 3.87 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.73 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.61 4.17 0.00 4.10 3.88 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 61 K 7.96 3.99 0.00 1.93 1.85 0.00 1.74 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 1.41 1.52 7.81 62 A 7.87 4.26 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 63 L 7.66 4.15 0.00 1.90 1.78 1.14 0.99 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 64 G 7.98 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 65 T 7.60 4.27 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 66 G 7.73 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 0.00 0.00 0.00 67 I 7.87 3.92 1.64 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.26 0.64 0.00 0.00 68 A 8.43 4.17 1.28 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 0.00 0.00 69 Q 9.82 3.57 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.50 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 71 V 7.68 4.01 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 1.01 0.00 0.00 0.90 0.00 0.00 72 T 8.37 4.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 73 F 8.66 4.33 0.00 3.29 3.38 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 74 H 7.95 4.64 0.00 3.10 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.09 4.46 0.00 1.96 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 0.00 0.00 0.00 0.00 76 F 7.80 5.35 0.00 2.92 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 77 T 8.91 4.82 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 78 I 9.26 4.92 1.85 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 1.24 0.39 0.83 0.00 0.00 79 S 8.88 4.87 0.00 3.84 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 80 H 8.61 5.45 0.00 2.98 3.20 0.00 5.88 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 81 D 8.71 4.76 0.00 2.82 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 82 K 8.75 3.97 0.00 1.78 1.93 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 83 L 8.00 4.25 0.00 1.64 1.71 0.93 0.99 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 84 G 8.18 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 85 K 8.25 4.25 0.00 1.89 2.00 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.41 7.81 86 P 0.00 4.86 0.00 2.05 1.99 0.00 3.77 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 2.16 1.99 0.00 87 L 9.05 4.87 0.00 1.49 1.53 0.92 0.47 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 88 L 8.55 5.13 0.00 1.59 1.53 1.07 1.00 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 89 I 8.70 4.61 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.91 0.00 0.00 90 L 8.54 5.10 0.00 1.47 1.49 1.10 0.87 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 91 S 8.66 4.30 0.00 3.78 3.89 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 92 G 8.77 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 93 Q 8.53 3.90 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 94 A 7.92 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.79 3.90 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 96 E 8.05 3.89 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 2.29 2.47 0.00 97 L 8.25 3.98 0.00 1.77 1.70 0.90 0.86 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 98 A 8.37 4.03 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 99 S 8.20 4.22 0.00 4.06 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 0.00 100 Q 7.88 4.07 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 101 L 7.66 4.35 0.00 1.76 1.70 0.96 0.89 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 0.00 102 Q 8.14 3.60 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 103 V 8.27 3.88 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 0.80 0.00 0.00 0.98 0.00 0.00 104 E 9.16 4.75 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 105 N 8.12 4.99 0.00 2.70 2.66 0.00 0.00 6.93 7.48 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 0.00 106 I 8.37 4.99 1.83 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 1.34 0.60 0.91 0.00 0.00 107 H 9.17 5.01 0.00 3.10 3.16 0.00 5.75 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 0.00 108 L 8.52 5.18 0.00 1.55 1.46 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.13 4.85 0.00 3.89 3.62 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 0.00 0.00 0.00 0.00 110 I 8.27 5.07 1.87 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 1.21 0.76 0.90 0.00 0.00 111 S 8.44 4.69 0.00 3.80 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 0.00 112 D 8.39 5.04 0.00 2.92 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 0.00 113 E 8.83 4.91 0.00 2.18 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 0.00 2.26 2.40 0.00 114 R 8.96 3.96 0.00 1.74 1.81 0.00 3.18 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 115 H 9.04 4.56 0.00 3.01 2.60 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.70 5.33 0.00 2.97 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 0.00 117 A 9.12 5.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *119 A 8.23 4.54 1.32 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 0.00 0.00 120 T 8.61 5.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 121 V 8.88 4.93 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 0.97 0.00 0.00 0.88 0.00 0.00 122 I 8.85 5.02 1.91 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 1.23 0.56 0.93 0.00 0.00 123 L 8.85 4.94 0.00 1.59 1.57 0.98 0.77 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 0.00 124 E 9.10 5.01 0.00 2.05 1.97 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 2.21 2.25 0.00 125 R 8.51 4.60 0.00 2.04 1.87 0.00 2.73 0.00 0.00 3.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.