NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3565 8.2993 122.1438 54.4438 33.2090 174.8092 6 E 4.6744 8.6945 122.1891 53.3442 32.3800 174.5074 7 R 4.7566 9.0871 119.4281 55.8123 31.2450 180.1846 8 R 4.2810 7.5969 118.4394 54.9732 30.9633 176.5884 9 I 3.1274 8.2451 125.3783 63.5775 38.0506 177.8189 10 G 3.4433 7.7821 106.1243 47.7225 0.0000 175.1846 11 R 3.8865 7.9374 121.5889 59.0099 29.9338 178.2558 12 L 3.8304 7.8126 118.3234 57.8205 41.4865 179.3457 13 S 4.0009 8.0164 115.4276 61.9377 62.7657 177.2236 14 V 3.6555 7.8307 120.3808 65.9668 31.2975 178.0240 15 L 3.8764 8.0460 118.8356 57.6004 41.2212 179.2517 16 L 3.8875 8.0175 119.6213 57.9557 42.1236 178.4416 17 L 4.0946 7.8999 119.2424 58.2352 42.2461 178.5496 18 L 4.2954 8.3703 116.3076 54.8696 41.8282 176.5375 19 N 4.8318 7.5781 116.4272 51.2047 39.4808 174.0228 20 E 4.0543 8.6922 122.3134 58.2461 30.4465 177.6688 21 A 3.8977 7.9781 122.6033 53.5006 19.4087 177.0704 22 E 3.8189 8.9638 123.8608 56.9055 27.3469 176.4705 23 E 4.0196 7.9207 118.0405 59.2132 29.8271 178.5346 24 S 4.2123 8.1073 115.3068 61.8747 62.8925 176.6637 25 T 3.8702 7.8050 113.5757 64.0234 68.7456 176.0832 26 Q 3.9291 7.9954 122.3371 58.9855 29.0086 178.5645 27 V 3.6266 8.5473 120.0674 65.8331 31.4499 177.6916 28 E 3.9795 8.3333 118.5605 59.7398 29.2584 179.3116 29 E 4.0044 8.3354 118.3397 59.3714 29.5570 179.5467 30 L 4.2550 7.8983 118.6977 57.9213 41.4927 179.3753 31 E 4.7799 8.3894 119.3559 58.8599 29.5087 179.0283 32 R 4.1109 8.3350 117.8797 57.9085 30.3106 176.6194 33 D 4.9542 7.7391 117.7304 53.6947 42.8853 175.4833 34 G 3.7784 8.3378 102.1110 46.3811 0.0000 174.0971 35 W 5.1160 7.9502 117.0149 54.4468 33.4439 175.1663 36 K 4.9361 9.6744 122.5270 54.9967 33.8352 175.9171 37 V 4.9786 7.9538 123.1623 60.1395 35.3544 173.9359 38 C 4.9667 7.8075 117.8932 59.0489 34.4271 172.4550 39 L 4.9115 8.4105 125.8650 53.1482 44.3737 176.3228 40 G 3.3477 6.8025 103.3609 47.9470 0.0000 172.1301 41 K 4.5290 8.4281 118.8969 56.0802 35.1784 175.9997 42 V 4.5117 9.1930 125.4216 61.5799 35.1992 175.1390 43 G 4.3095 8.8710 115.0136 45.8834 0.0000 173.0765 44 S 4.7626 7.7609 113.3508 56.5440 65.0123 173.1875 45 M 4.4828 8.3375 122.9840 55.0233 33.3297 175.9518 46 D 4.3850 8.1298 118.5800 55.5686 42.4012 175.2632 47 A 3.8144 9.0766 128.1228 55.9107 18.3431 178.7868 48 H 4.0970 8.2613 116.1990 59.6868 30.3334 178.2628 49 K 3.9734 8.5245 125.2241 59.7503 31.5329 180.9652 50 V 3.7252 8.2134 120.3001 65.9224 31.4179 177.9595 51 I 3.6021 8.1318 118.3826 63.8408 37.6746 177.6768 52 A 3.9232 7.9776 121.0478 55.0257 18.2625 179.0420 53 A 3.9475 7.8725 119.1015 55.5959 18.3668 179.8498 54 I 2.9131 7.6515 117.8895 64.3405 37.2102 178.0913 55 E 3.8718 8.2201 120.1813 59.7542 29.3437 179.1944 56 T 3.8170 8.2732 115.5512 66.7449 68.3025 176.8219 57 A 4.1487 8.4220 122.8240 55.0433 18.0771 179.7660 58 S 4.4356 8.3415 114.1358 61.3568 62.8133 176.9307 59 K 4.1799 7.8499 120.4667 59.2494 31.8883 178.6725 60 K 3.9705 7.7748 118.9059 60.2463 32.3848 176.6364 61 S 4.6890 7.5329 113.9141 57.5093 65.0713 173.4412 62 G 4.0595 8.2890 107.5088 46.4350 0.0000 175.7730 63 V 3.8413 7.2248 120.8163 63.8885 32.2739 175.4396 64 I 4.7129 7.3172 112.7983 58.6390 40.4454 174.6272 65 Q 4.2993 9.3678 120.8092 54.7766 29.0874 176.5349 66 S 4.3481 8.5412 118.2759 58.5028 61.6405 172.0318 67 E 4.7924 8.1998 128.5145 57.0697 37.4300 176.2992 68 G 4.1936 7.5949 109.5631 44.0584 0.0000 174.1743 *69 Y 4.0132 8.2175 122.1787 60.6342 36.8521 178.8840 70 R 4.5045 7.9482 118.1843 60.6854 30.1791 178.1728 71 E 4.0169 8.0397 117.6104 59.1352 29.5977 179.2052 72 S 4.0361 7.6507 111.8830 61.8272 62.5323 176.0005 73 H 4.2766 9.1379 119.7183 58.8397 28.2533 177.6316 74 A 4.1064 8.0726 122.5718 55.0934 18.1752 179.5042 75 L 3.9337 7.9470 118.9771 58.1900 42.0812 178.3554 76 Y 4.0991 8.0220 119.5315 61.3070 38.7744 178.0247 77 H 3.9457 8.2572 116.6556 58.7411 28.7497 177.7556 78 A 4.0166 7.8029 122.6519 55.4212 18.1330 179.8898 79 T 3.7998 7.9568 114.3278 66.7517 68.3581 177.0696 80 M 3.9029 8.0169 121.0358 58.2841 31.7455 178.3140 81 E 3.7935 7.8930 117.8212 59.1727 30.0625 178.4074 82 A 4.1185 7.8166 120.2130 55.1104 18.4999 179.2288 83 L 3.8671 8.4746 119.3237 58.6169 41.9859 178.7359 84 H 4.2758 8.5047 117.6676 57.7939 28.6069 177.4086 85 G 3.7622 7.7217 106.9414 47.3295 0.0000 175.8977 86 V 3.7997 7.6414 119.4211 64.6985 32.6269 176.5009 87 T 4.3222 8.3236 114.0386 60.9534 67.5368 175.9800 88 R 3.7710 6.9980 119.0985 58.6282 30.7946 178.6262 89 G 4.3922 7.3850 113.3121 46.3515 0.0000 174.7766 90 E 4.0028 7.5770 120.8037 58.8995 30.2587 178.1092 91 M 4.2638 7.8960 117.3286 57.1450 32.4489 178.1614 92 L 4.0598 7.5390 118.2977 57.2409 41.9159 177.7867 93 L 4.1497 7.6380 118.2807 56.1297 42.3985 177.6336 94 G 3.9670 7.5333 108.6072 44.7965 0.0000 174.6013 95 S 4.7133 7.7396 121.3921 57.4839 63.0743 176.4719 96 L 4.6095 7.4664 125.9658 56.3980 42.3594 179.6516 97 L 3.6045 7.6410 116.2693 55.6473 37.8359 175.5556 98 R 4.3989 7.4426 122.7527 54.6235 32.6353 175.7873 99 T 4.2709 8.1175 115.4415 61.4689 67.9496 172.9913 100 V 4.7154 8.3453 122.4284 59.3466 35.0015 175.0831 101 G 3.9155 8.5136 112.3417 44.4451 0.0000 171.3122 102 L 5.0396 9.0110 127.7455 53.1762 43.8695 175.8152 103 R 5.0028 9.4354 123.8964 54.4452 33.1816 174.3729 104 F 6.2043 8.2841 118.6150 54.0216 42.0416 173.3616 105 A 5.1595 8.6745 120.4228 50.3125 22.1921 174.9677 106 V 4.8692 9.3926 122.0702 60.9238 35.0942 174.0648 107 L 5.2054 9.0553 129.0206 53.3116 45.3732 174.8189 108 R 5.1614 9.0329 126.5851 55.0013 32.8636 173.7776 109 G 4.1766 8.7263 113.4160 46.6749 0.0000 171.6339 110 N 5.6381 8.1550 121.6261 51.2139 41.0295 174.1055 111 P 4.6501 0.0000 0.0000 62.5667 29.9371 175.9838 112 Y 4.2402 8.0950 129.7218 57.4461 37.1558 175.7320 113 E 4.1300 8.1312 122.7941 59.1115 30.3698 179.2952 114 S 4.4089 7.4320 115.3219 58.8256 65.5592 177.1276 115 E 4.3552 7.6551 115.6612 54.3296 31.8667 178.2850 116 A 4.6834 7.8779 119.9390 51.9835 18.7023 176.1437 117 E 4.0592 8.3341 120.2609 56.7566 30.4479 179.1033 118 G 4.0857 7.2324 104.0630 45.0166 0.0000 172.2332 119 D 4.9976 8.1617 118.3364 53.8665 42.5439 175.5468 120 W 5.0708 10.0138 130.9727 55.8076 34.9749 174.0636 121 I 5.2519 9.2108 122.8741 59.6504 41.0101 173.3575 122 A 5.3654 9.4919 131.3656 50.1166 22.4367 174.9343 123 V 4.7512 8.6814 120.3704 61.2475 34.9023 174.3262 124 S 5.2115 9.1809 124.2574 56.6831 65.6677 173.0891 125 L 5.4369 8.8731 124.2936 53.1932 45.0510 175.0471 126 Y 5.3269 8.4953 123.5911 56.6212 42.9573 174.0385 127 G 4.3582 7.1983 108.6006 47.0092 0.0000 171.1895 128 T 4.9477 7.9514 113.3073 60.3433 70.5708 172.8822 129 I 4.5743 8.8269 130.7178 60.0966 38.7243 175.9014 130 G 3.9549 8.5530 114.1902 46.2488 0.0000 172.8528 131 A 4.8483 8.7348 124.2442 49.6237 20.9402 176.8435 132 P 4.4162 0.0000 0.0000 64.2171 31.7590 176.8152 133 I 4.3382 7.0472 120.6455 59.6479 38.5713 176.5708 134 K 3.9999 8.6074 125.6133 55.3401 32.4935 175.2055 135 G 4.0667 8.5422 105.8598 45.9858 0.0000 173.9630 136 L 4.3696 7.1180 117.4317 54.1002 45.8325 174.0846 137 E 5.1010 8.7841 125.1105 54.8984 33.2900 174.7474 138 H 5.0242 9.5339 120.7189 54.3179 31.4892 173.7741 139 E 4.9314 8.7477 121.3864 55.6201 30.8931 175.7091 140 T 4.8564 8.3416 112.8428 60.0816 72.3172 172.5774 141 F 5.3142 8.7750 124.5260 57.2068 42.9049 173.5214 142 G 4.0960 7.8724 110.7124 45.1198 0.0000 172.0641 143 V 4.8726 8.0958 121.8366 60.8193 35.2165 174.8878 144 G 4.6779 8.9072 113.2391 43.9239 0.0000 171.2191 145 I 5.2627 8.5359 126.0503 59.6623 40.0120 174.4917 146 N 5.1598 9.3427 123.4177 52.4671 43.1982 172.0570 147 H 4.0565 8.2373 122.4844 54.0031 31.1067 174.9518 148 I 3.9550 8.0039 125.6318 61.7629 36.5443 175.9169 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 K 8.30 4.36 0.00 1.79 1.69 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 6 E 8.69 4.67 0.00 2.14 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 2.19 2.40 0.00 7 R 9.09 4.76 0.00 1.93 2.18 0.00 3.18 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 8 R 7.60 4.28 0.00 1.81 1.83 0.00 3.39 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 9 I 8.25 3.13 1.95 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 1.43 1.09 0.79 0.00 0.00 10 G 7.78 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 11 R 7.94 3.89 0.00 1.84 2.05 0.00 3.13 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 12 L 7.81 3.83 0.00 1.47 1.33 0.47 0.67 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 13 S 8.02 4.00 0.00 3.99 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 14 V 7.83 3.66 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 1.25 0.00 0.00 1.14 0.00 0.00 15 L 8.05 3.88 0.00 1.82 1.65 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.02 3.89 0.00 1.57 1.80 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.90 4.09 0.00 1.73 1.94 1.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.37 4.30 0.00 1.59 1.52 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.58 4.83 0.00 2.72 2.71 0.00 0.00 6.98 8.33 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 20 E 8.69 4.05 0.00 2.07 2.07 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 2.25 2.29 0.00 21 A 7.98 3.90 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 22 E 8.96 3.82 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 2.31 2.21 0.00 23 E 7.92 4.02 0.00 2.17 2.19 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 2.35 2.35 0.00 24 S 8.11 4.21 0.00 4.07 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 25 T 7.80 3.87 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 26 Q 8.00 3.93 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 27 V 8.55 3.63 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 1.09 0.00 0.00 0.98 0.00 0.00 28 E 8.33 3.98 0.00 2.25 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 2.35 2.52 0.00 29 E 8.34 4.00 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 2.35 2.50 0.00 30 L 7.90 4.26 0.00 2.00 1.82 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.39 4.78 0.00 2.11 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 2.42 2.47 0.00 32 R 8.33 4.11 0.00 1.95 2.19 0.00 3.25 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 33 D 7.74 4.95 0.00 2.83 2.85 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 0.00 0.00 0.00 0.00 34 G 8.34 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 0.00 0.00 0.00 35 W 7.95 5.12 0.00 3.42 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.67 4.94 0.00 1.87 1.87 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.64 7.81 37 V 7.95 4.98 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 1.02 0.00 0.00 1.00 0.00 0.00 38 C 7.81 4.97 0.00 3.10 2.85 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 0.00 0.00 0.00 0.00 39 L 8.41 4.91 0.00 1.45 1.37 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.80 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 0.00 0.00 0.00 41 K 8.43 4.53 0.00 1.60 1.59 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.37 7.81 42 V 9.19 4.51 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 1.03 0.00 0.00 1.12 0.00 0.00 43 G 8.87 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 0.00 0.00 0.00 0.00 44 S 7.76 4.76 0.00 3.80 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 45 M 8.34 4.48 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 46 D 8.13 4.38 0.00 2.85 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 47 A 9.08 3.81 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 48 H 8.26 4.10 0.00 3.22 3.54 0.00 5.70 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 49 K 8.52 3.97 0.00 1.80 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 50 V 8.21 3.73 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 0.97 0.00 0.00 1.06 0.00 0.00 51 I 8.13 3.60 1.98 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 1.59 1.37 1.03 0.00 0.00 52 A 7.98 3.92 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 53 A 7.87 3.95 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 54 I 7.65 2.91 1.67 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.09 0.64 0.00 0.00 55 E 8.22 3.87 0.00 2.09 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 0.00 2.30 2.36 0.00 56 T 8.27 3.82 4.43 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 1.23 0.00 0.00 57 A 8.42 4.15 1.58 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 0.00 0.00 58 S 8.34 4.44 0.00 4.02 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 59 K 7.85 4.18 0.00 1.96 1.88 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.54 7.81 60 K 7.77 3.97 0.00 1.79 2.06 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 61 S 7.53 4.69 0.00 4.06 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 62 G 8.29 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 63 V 7.22 3.84 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 0.87 0.00 0.00 1.05 0.00 0.00 64 I 7.32 4.71 1.89 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 1.49 0.87 0.94 0.00 0.00 65 Q 9.37 4.30 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.22 0.00 0.00 0.00 0.00 0.00 2.65 2.29 0.00 66 S 8.54 4.35 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 67 E 8.20 4.79 0.00 1.91 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 2.15 2.23 0.00 68 G 7.59 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 0.00 0.00 0.00 0.00 *69 Y 8.22 4.01 0.00 2.33 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 70 R 7.95 4.50 0.00 1.87 1.95 0.00 3.14 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 71 E 8.04 4.02 0.00 2.05 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 2.40 2.36 0.00 72 S 7.65 4.04 0.00 3.98 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 73 H 9.14 4.28 0.00 3.13 3.31 0.00 5.68 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 74 A 8.07 4.11 1.43 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 0.00 0.00 75 L 7.95 3.93 0.00 1.90 1.91 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.02 4.10 0.00 3.07 3.11 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 77 H 8.26 3.95 0.00 3.27 3.29 0.00 5.69 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 78 A 7.80 4.02 1.43 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 0.00 0.00 79 T 7.96 3.80 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 1.11 0.00 0.00 80 M 8.02 3.90 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 81 E 7.89 3.79 0.00 1.90 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 2.50 2.29 0.00 82 A 7.82 4.12 1.36 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 83 L 8.47 3.87 0.00 1.82 1.80 0.94 1.24 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 84 H 8.50 4.28 0.00 3.25 3.38 0.00 5.86 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 85 G 7.72 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.80 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 0.92 0.00 0.00 0.97 0.00 0.00 87 T 8.32 4.32 4.20 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 0.00 0.00 1.21 0.00 0.00 88 R 7.00 3.77 0.00 1.85 1.84 0.00 3.35 0.00 0.00 3.23 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.00 89 G 7.39 4.39 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 0.00 90 E 7.58 4.00 0.00 1.99 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 2.31 2.29 0.00 91 M 7.90 4.26 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 92 L 7.54 4.06 0.00 1.86 1.71 0.91 0.72 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 93 L 7.64 4.15 0.00 1.53 1.81 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.53 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 95 S 7.74 4.71 0.00 3.96 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 96 L 7.47 4.61 0.00 1.62 1.47 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.64 3.60 0.00 1.73 1.52 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.44 4.40 0.00 1.73 1.85 0.00 3.24 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 99 T 8.12 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 1.20 0.00 0.00 100 V 8.35 4.72 2.07 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 0.86 0.00 0.00 0.98 0.00 0.00 101 G 8.51 3.92 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 0.00 102 L 9.01 5.04 0.00 1.77 1.66 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.44 5.00 0.00 1.85 1.97 0.00 3.21 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 104 F 8.28 6.20 0.00 3.16 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 0.00 105 A 8.67 5.16 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 0.00 106 V 9.39 4.87 2.19 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 1.02 0.00 0.00 1.05 0.00 0.00 107 L 9.06 5.21 0.00 1.63 1.31 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.03 5.16 0.00 1.95 1.84 0.00 3.54 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 109 G 8.73 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 0.00 0.00 0.00 110 N 8.16 5.64 0.00 2.90 2.66 0.00 0.00 6.85 7.69 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 0.00 111 P 0.00 4.65 0.00 1.74 1.83 0.00 4.34 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.18 0.00 112 Y 8.09 4.24 0.00 2.88 2.85 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 0.00 0.00 0.00 0.00 113 E 8.13 4.13 0.00 2.03 1.84 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 2.23 1.87 0.00 114 S 7.43 4.41 0.00 3.55 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 0.00 115 E 7.66 4.36 0.00 1.97 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 2.16 1.86 0.00 116 A 7.88 4.68 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 0.00 117 E 8.33 4.06 0.00 2.00 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 2.24 1.90 0.00 118 G 7.23 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 0.00 0.00 0.00 119 D 8.16 5.00 0.00 2.66 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 0.00 120 W 10.01 5.07 0.00 3.43 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 0.00 121 I 9.21 5.25 1.97 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 1.23 1.42 1.01 0.00 0.00 122 A 9.49 5.37 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 0.00 123 V 8.68 4.75 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 0.94 0.00 0.00 0.92 0.00 0.00 124 S 9.18 5.21 0.00 3.78 3.71 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 0.00 125 L 8.87 5.44 0.00 1.44 1.54 0.88 0.61 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 0.00 126 Y 8.50 5.33 0.00 3.20 2.87 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 0.00 127 G 7.20 4.36 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 0.00 128 T 7.95 4.95 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 1.20 0.00 0.00 129 I 8.83 4.57 1.90 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 1.14 0.79 0.92 0.00 0.00 130 G 8.55 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 0.00 131 A 8.73 4.85 1.20 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 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.42 0.00 2.06 2.12 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 133 I 7.05 4.34 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 1.16 0.81 0.90 0.00 0.00 134 K 8.61 4.00 0.00 1.77 1.61 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.02 7.81 135 G 8.54 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 0.00 0.00 0.00 136 L 7.12 4.37 0.00 1.71 1.58 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.78 5.10 0.00 1.80 1.74 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 2.16 2.26 0.00 138 H 9.53 5.02 0.00 2.98 3.16 0.00 5.60 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 E 8.75 4.93 0.00 1.93 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 2.33 2.34 0.00 140 T 8.34 4.86 4.26 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 0.00 0.00 0.00 1.19 0.00 0.00 141 F 8.78 5.31 0.00 3.14 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 0.00 142 G 7.87 4.10 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 0.00 0.00 0.00 143 V 8.10 4.87 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 0.78 0.00 0.00 0.61 0.00 0.00 144 G 8.91 4.68 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 0.00 145 I 8.54 5.26 1.96 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 1.25 0.72 1.08 0.00 0.00 146 N 9.34 5.16 0.00 2.78 2.64 0.00 0.00 6.57 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 0.00 147 H 8.24 4.06 0.00 2.72 2.82 0.00 5.82 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 0.00 148 I 8.00 3.95 1.97 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 1.11 0.95 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.