NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2399 8.2993 121.7888 56.2471 33.3689 174.7417 7 S 4.6826 8.3424 119.4413 56.2590 65.6488 171.7699 8 H 4.7391 9.2070 119.1234 54.4138 32.9558 175.0924 9 N 4.7072 8.5089 122.6567 51.8403 37.1665 175.5909 10 L 4.0785 8.1984 122.7802 56.5882 42.1362 178.1310 11 L 4.5336 7.6496 116.1577 54.3539 42.3736 176.9525 12 E 4.0481 8.1470 120.5697 58.8860 29.7812 177.5322 13 A 4.6600 7.3088 120.1217 50.5964 19.5185 175.6021 14 V 3.6314 7.6304 114.2068 60.4943 32.7297 175.8795 15 R 4.4080 7.9624 122.2801 54.4646 31.8592 175.2118 16 F 5.0468 8.4851 122.9478 55.9304 41.5897 174.5045 17 D 4.7191 8.3783 120.5794 52.9697 43.7955 175.8557 18 D 4.1807 9.0577 129.3854 58.0396 41.1561 178.3845 19 Q 4.2214 8.5084 117.1761 57.2916 28.4451 178.4662 20 R 4.5976 7.2590 110.5468 54.7956 32.2873 174.4656 21 F 4.6295 8.4240 114.1995 57.5151 38.8226 175.0305 22 V 4.0597 8.4371 121.0453 61.6052 34.6444 173.7001 *24 E 4.1753 8.4317 118.8841 55.7944 30.8656 175.3848 25 L 4.0925 8.4672 127.4714 55.4948 42.1190 176.3323 26 V 3.9020 8.5943 127.0956 65.0847 32.6773 175.5802 27 H 4.8112 7.6469 117.4015 55.1235 33.2657 172.0689 28 E 5.1275 8.3425 125.1671 54.9229 31.1444 174.1826 29 S 4.6734 9.0161 120.5605 56.7217 66.4379 174.4575 30 E 4.2606 8.7411 117.5327 59.3571 29.3605 178.0677 31 N 4.4065 7.8788 116.6489 55.5978 39.0776 174.6806 32 F 5.1398 7.5031 109.4623 56.0689 41.9197 172.9104 33 K 5.0951 8.9917 120.6957 54.6716 35.0089 174.5906 34 I 4.9323 9.1381 127.8948 59.6129 40.2133 175.0095 35 V 4.8916 8.9354 119.8280 59.5910 36.0206 174.6023 36 S 5.2857 8.6561 118.8542 56.6798 65.6118 173.3912 37 F 4.8458 9.0185 119.4509 55.9904 42.5629 173.9792 38 T 4.8541 8.7024 120.0218 61.6882 71.0742 173.1321 39 F 5.6140 8.9588 123.9765 55.6771 42.9005 175.0181 40 K 4.2912 9.5021 121.7526 55.1920 32.9750 176.5229 41 A 4.2747 8.0758 124.3650 53.5460 18.5501 178.1120 42 G 4.0380 8.8894 111.6682 45.2628 0.0000 174.0571 43 Q 4.5173 8.2638 118.7857 56.1048 30.2510 174.9256 44 E 4.9332 8.7429 120.8104 54.8455 33.2348 174.1498 45 L 3.9916 9.1378 129.6412 53.0255 42.8739 174.0933 46 P 4.6748 0.0000 0.0000 62.2212 32.2766 176.7211 47 V 3.8841 8.3507 122.9261 64.0708 31.8523 174.7064 48 H 5.0892 9.0991 122.6720 54.8053 32.4551 171.9683 49 S 5.0191 8.1145 112.1512 57.9339 65.9080 173.1883 50 H 4.8153 8.8402 116.6287 53.8248 32.1704 174.2421 51 N 4.9709 8.6605 122.8370 51.7660 37.0205 174.0356 52 I 4.7482 7.0326 111.7272 58.7160 41.4406 175.8041 53 E 4.0551 8.4387 121.0825 56.6106 30.0595 176.1943 54 G 4.2931 7.7686 107.2117 43.3802 0.0000 171.6474 55 E 5.4343 8.9520 119.2993 54.3728 34.3449 174.9042 56 L 5.4175 8.9031 120.3315 54.1403 44.5035 175.0355 57 N 5.5146 9.1698 116.9662 51.1622 41.0059 173.2651 58 I 4.9307 8.6739 121.4874 59.7338 40.6736 174.3755 59 V 4.8172 8.9254 128.1332 61.0274 33.9938 174.6927 60 V 4.1745 8.9914 129.0953 62.6409 31.6317 176.3382 61 L 4.3363 8.8737 129.4778 57.1330 42.3419 177.4157 62 E 4.5325 8.1696 116.4411 55.9341 32.5628 175.5606 63 G 4.1287 9.0941 112.2507 45.7252 0.0000 171.9416 64 E 4.7590 8.4605 116.1539 55.0479 33.9190 175.3401 65 G 3.8967 8.6277 110.0712 45.9602 0.0000 171.5796 66 E 5.0502 8.6267 120.8799 54.6361 34.5260 174.8435 67 F 4.9254 8.8888 123.1185 57.0064 40.5535 174.7580 68 V 4.6947 9.0753 124.2489 61.3575 33.8500 175.1395 69 G 4.7242 8.6312 116.4273 43.7847 0.0000 171.4432 70 D 4.2489 8.5393 118.1595 55.4594 41.7252 177.6183 71 G 3.9029 9.1788 112.1961 46.0830 0.0000 173.0580 72 D 4.3708 7.9391 115.4266 54.5857 40.2655 173.5947 73 A 4.2764 7.6238 119.3154 51.6167 19.3766 177.9211 74 V 5.0134 8.3341 113.6207 59.5563 35.6388 175.0957 75 I 4.5996 8.6019 124.0371 58.6627 40.0559 173.4803 76 P 4.4082 0.0000 0.0000 62.8092 31.9104 176.5558 77 A 4.4847 8.3230 124.9179 49.4257 18.2906 173.3671 78 P 4.7160 0.0000 0.0000 61.0112 33.8869 177.2193 79 R 4.0724 8.3819 120.3364 58.1144 30.1455 176.7314 80 G 3.9535 9.2134 113.3897 45.1020 0.0000 173.4844 81 A 4.4779 7.9791 122.5847 51.7454 19.8325 176.9698 82 V 4.9027 8.3435 119.9417 59.8459 33.9581 174.5334 83 L 4.1120 8.5429 128.0644 53.2082 43.7106 175.0482 84 V 4.8036 8.0746 125.0673 61.0633 33.8420 174.2326 85 A 4.7115 8.6249 128.0367 49.7126 23.2207 173.8269 86 P 4.6479 0.0000 0.0000 62.3454 32.4802 177.9451 87 I 3.7434 8.5506 123.3445 64.5918 37.1497 178.2283 88 S 4.7084 7.8614 111.4529 59.0330 63.5113 173.7473 89 T 4.3611 7.5549 119.3670 61.8767 69.0389 173.0611 90 P 4.4916 0.0000 0.0000 63.6734 32.0350 175.4504 91 H 5.0978 8.9900 119.3587 54.2665 32.4518 172.6350 92 G 4.4155 9.0079 107.2048 45.4408 0.0000 171.4675 93 V 4.8882 8.4893 118.8166 60.9501 35.2103 173.7721 94 R 4.6916 8.6244 127.6184 54.2602 32.8908 174.0584 95 A 4.2436 8.5523 129.1013 51.6909 19.4449 177.8608 96 V 3.7442 8.5196 123.6385 64.9155 32.3078 175.9038 97 T 4.5851 7.4393 108.9271 59.1886 71.5006 172.8341 98 D 4.8836 8.1578 119.8793 53.9213 41.5256 175.3822 *100 K 4.6686 8.2617 120.8732 56.7231 33.6220 174.8745 101 V 5.1253 9.1043 119.7499 59.4723 36.1636 174.1092 102 L 5.1467 8.8844 124.2955 53.3895 44.8145 175.0963 103 V 4.9546 9.3308 126.6917 61.4940 34.0419 174.2257 104 T 4.9631 8.8327 124.1847 61.7495 71.7660 172.9766 105 I 5.0115 8.9156 126.6586 59.4363 40.6005 174.5534 106 A 5.0229 9.1012 128.4832 49.6688 22.2737 173.9823 107 P 4.8718 0.0000 0.0000 61.4195 32.4399 174.7700 108 P 4.4729 0.0000 0.0000 62.5508 32.0447 176.5908 109 I 3.8714 8.2182 119.5106 61.8638 36.9597 176.0893 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 6 K 8.30 4.24 0.00 1.72 1.80 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.30 7.81 7 S 8.34 4.68 0.00 4.04 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 8 H 9.21 4.74 0.00 3.07 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.51 4.71 0.00 2.78 2.76 0.00 0.00 7.15 6.74 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 10 L 8.20 4.08 0.00 1.62 1.70 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.65 4.53 0.00 1.62 1.69 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.15 4.05 0.00 1.96 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 2.31 2.25 0.00 13 A 7.31 4.66 1.19 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 14 V 7.63 3.63 1.61 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 0.64 0.00 0.00 0.65 0.00 0.00 15 R 7.96 4.41 0.00 1.61 1.64 0.00 3.22 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 16 F 8.49 5.05 0.00 3.10 2.88 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 17 D 8.38 4.72 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.06 4.18 0.00 2.72 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 19 Q 8.51 4.22 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 20 R 7.26 4.60 0.00 1.43 1.75 0.00 2.94 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 21 F 8.42 4.63 0.00 2.67 3.17 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 22 V 8.44 4.06 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 0.93 0.00 0.00 0.93 0.00 0.00 *24 E 8.43 4.18 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 25 L 8.47 4.09 0.00 1.57 1.52 0.97 0.94 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 26 V 8.59 3.90 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 0.45 0.00 0.00 0.80 0.00 0.00 27 H 7.65 4.81 0.00 3.22 2.99 0.00 5.88 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 28 E 8.34 5.13 0.00 1.93 1.72 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 2.19 2.32 0.00 29 S 9.02 4.67 0.00 4.05 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 30 E 8.74 4.26 0.00 2.08 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 2.25 2.29 0.00 31 N 7.88 4.41 0.00 2.23 2.41 0.00 0.00 6.83 8.55 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 32 F 7.50 5.14 0.00 3.04 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 33 K 8.99 5.10 0.00 1.88 1.70 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 34 I 9.14 4.93 1.71 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.19 0.80 0.00 0.00 35 V 8.94 4.89 1.76 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 0.75 0.00 0.00 1.08 0.00 0.00 36 S 8.66 5.29 0.00 3.85 3.74 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 9.02 4.85 0.00 2.95 2.30 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 0.00 0.00 0.00 0.00 38 T 8.70 4.85 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 0.85 0.00 0.00 39 F 8.96 5.61 0.00 3.00 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 40 K 9.50 4.29 0.00 1.87 1.69 0.00 0.86 0.00 0.00 1.00 0.00 0.00 2.70 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.55 1.51 7.81 41 A 8.08 4.27 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.89 4.04 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 0.00 0.00 0.00 43 Q 8.26 4.52 0.00 2.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 44 E 8.74 4.93 0.00 1.93 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 0.00 2.19 2.37 0.00 45 L 9.14 3.99 0.00 1.35 1.44 0.18 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.67 0.00 2.03 2.02 0.00 3.86 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 47 V 8.35 3.88 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 0.74 0.00 0.00 1.04 0.00 0.00 48 H 9.10 5.09 0.00 3.07 3.28 0.00 5.35 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.11 5.02 0.00 3.96 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 50 H 8.84 4.82 0.00 3.19 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.66 4.97 0.00 2.73 2.80 0.00 0.00 6.83 7.45 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 52 I 7.03 4.75 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 1.46 0.64 0.94 0.00 0.00 53 E 8.44 4.06 0.00 1.99 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 2.32 2.25 0.00 54 G 7.77 4.29 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 0.00 55 E 8.95 5.43 0.00 1.87 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 2.19 2.21 0.00 56 L 8.90 5.42 0.00 1.77 1.67 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.17 5.51 0.00 2.84 2.87 0.00 0.00 7.06 7.98 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 58 I 8.67 4.93 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 1.14 0.72 1.14 0.00 0.00 59 V 8.93 4.82 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 1.05 0.00 0.00 0.97 0.00 0.00 60 V 8.99 4.17 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 0.81 0.00 0.00 0.98 0.00 0.00 61 L 8.87 4.34 0.00 1.73 1.73 0.94 0.73 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 62 E 8.17 4.53 0.00 1.89 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 2.27 2.43 0.00 63 G 9.09 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 64 E 8.46 4.76 0.00 1.84 1.71 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 2.18 2.23 0.00 65 G 8.63 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 66 E 8.63 5.05 0.00 1.74 1.69 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 2.11 2.15 0.00 67 F 8.89 4.93 0.00 2.96 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 68 V 9.08 4.69 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 1.01 0.00 0.00 0.92 0.00 0.00 69 G 8.63 4.72 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 0.00 0.00 0.00 70 D 8.54 4.25 0.00 2.75 2.54 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 0.00 0.00 0.00 0.00 71 G 9.18 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 72 D 7.94 4.37 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.62 4.28 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 74 V 8.33 5.01 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 0.81 0.00 0.00 0.96 0.00 0.00 75 I 8.60 4.60 2.13 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 1.27 0.91 1.04 0.00 0.00 76 P 0.00 4.41 0.00 1.92 1.95 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 77 A 8.32 4.48 0.10 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 78 P 0.00 4.72 0.00 2.12 2.18 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 79 R 8.38 4.07 0.00 1.92 1.90 0.00 3.38 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 80 G 9.21 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 81 A 7.98 4.48 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.34 4.90 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 0.74 0.00 0.00 0.90 0.00 0.00 83 L 8.54 4.11 0.00 0.27 0.76 0.49 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.07 4.80 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 0.86 0.00 0.00 0.87 0.00 0.00 85 A 8.62 4.71 1.09 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 86 P 0.00 4.65 0.00 2.18 1.98 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 87 I 8.55 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 1.38 1.14 1.07 0.00 0.00 88 S 7.86 4.71 0.00 3.99 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 89 T 7.55 4.36 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 1.20 0.00 0.00 90 P 0.00 4.49 0.00 1.90 1.98 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 91 H 8.99 5.10 0.00 3.05 3.25 0.00 5.27 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.01 4.42 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 93 V 8.49 4.89 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 0.52 0.00 0.00 0.98 0.00 0.00 94 R 8.62 4.69 0.00 1.76 1.57 0.00 3.27 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 95 A 8.55 4.24 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 96 V 8.52 3.74 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 0.76 0.00 0.00 0.85 0.00 0.00 97 T 7.44 4.59 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 1.19 0.00 0.00 98 D 8.16 4.88 0.00 2.79 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 *100 K 8.26 4.67 0.00 1.90 1.77 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.63 7.81 101 V 9.10 5.13 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 0.81 0.00 0.00 1.30 0.00 0.00 102 L 8.88 5.15 0.00 1.74 1.50 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.33 4.95 2.41 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 1.09 0.00 0.00 1.17 0.00 0.00 104 T 8.83 4.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 105 I 8.92 5.01 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 1.00 0.00 0.00 106 A 9.10 5.02 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 0.00 107 P 0.00 4.87 0.00 1.96 2.01 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 108 P 0.00 4.47 0.00 2.21 2.12 0.00 3.81 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 2.25 0.00 109 I 8.22 3.87 1.82 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 1.25 0.64 0.77 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.