NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.4152 8.1633 120.6106 54.7864 33.9815 174.3811 18 Y 4.9141 7.9371 116.0618 55.7305 41.9369 169.4911 19 V 4.7566 9.3175 114.8641 59.5420 36.6997 174.1330 20 K 5.1213 9.5261 125.4416 54.8666 34.3950 174.6504 21 L 5.2648 9.4550 127.9624 53.2444 44.4082 175.3227 22 I 5.0979 8.6193 124.9643 59.7614 39.5162 176.0897 23 S 5.0057 9.0983 122.7206 57.1265 65.1328 175.4359 24 S 4.3276 9.7060 114.3597 60.5365 62.6090 175.4796 25 D 4.6347 8.1940 117.6460 52.9856 39.4554 176.9893 26 G 4.0016 8.0443 108.5251 45.4199 0.0000 173.9253 27 H 4.2950 8.3750 117.0383 55.7245 30.0723 174.1195 28 E 5.1192 8.3456 120.4247 54.6106 32.0964 175.2424 29 F 4.8004 9.6770 123.6599 55.8359 41.5922 174.4728 30 I 5.0102 8.5780 125.0967 59.8310 38.5172 175.3767 31 V 4.8074 8.8471 126.4428 60.5129 35.6271 175.0382 32 K 3.6229 8.6093 124.6416 56.3553 32.8952 177.8450 33 R 3.7992 9.3593 124.8185 59.6417 29.7117 178.4132 34 E 3.8432 7.9889 117.0163 59.8567 29.8738 178.0896 35 H 4.2162 8.1883 115.2949 58.8048 28.7361 177.5215 36 A 3.0411 7.8143 122.5139 54.4715 17.9591 179.0138 37 L 4.0507 7.2315 115.0730 56.5332 41.6259 179.0134 38 T 4.0291 7.0916 116.3796 64.8995 68.6135 174.2116 39 S 4.4610 7.5266 117.2173 57.1030 62.9722 174.7337 40 G 3.8420 8.7711 117.1585 47.6420 0.0000 175.3421 41 T 3.8096 7.6469 117.6159 66.5762 68.4657 176.8858 42 I 3.9055 7.6708 121.2467 63.9828 36.8891 178.3436 43 K 3.8433 8.4378 119.9101 59.5811 32.1197 178.4747 44 A 4.1205 7.9455 119.7751 55.3583 18.3199 179.2579 45 M 4.2124 7.6918 116.4390 57.6956 32.0045 177.8353 46 L 4.5444 7.6063 117.2980 53.4175 42.4674 175.9617 47 S 4.7103 7.3415 114.0034 56.8889 64.0486 172.1398 48 G 3.9825 7.5520 116.9662 45.9725 0.0000 172.7848 49 P 4.4110 0.0000 0.0000 61.3112 32.9765 175.3061 *58 N 4.5784 8.2694 114.5614 53.1116 40.1787 173.2515 59 E 5.0537 8.7781 122.9589 54.3490 32.4674 174.8603 60 V 4.2825 9.1650 126.7575 61.0381 34.6580 173.7728 61 N 4.9789 8.4726 125.1282 51.4833 39.5167 175.6817 62 F 5.6650 8.3862 124.1579 56.0058 39.5320 176.7283 63 R 4.2886 8.0894 119.0517 57.8905 30.5223 178.2463 64 E 4.4143 8.1513 115.7122 55.9991 30.5665 175.1216 65 I 4.5713 7.7815 122.2630 58.8678 39.0824 173.6482 66 P 5.1301 0.0000 0.0000 61.6674 33.3215 177.5582 67 S 4.3835 8.8038 115.9174 61.9926 62.6470 176.2792 68 H 4.3806 8.2420 116.8826 57.4421 28.7489 176.8462 69 V 3.8396 7.1217 120.6469 65.0433 32.0308 177.3117 70 L 3.7239 7.9946 120.6637 57.7735 41.9035 179.0385 71 S 3.5368 7.6242 114.3674 61.1272 62.9033 176.4706 72 K 3.9321 7.8109 122.9512 58.9332 31.9956 178.5851 73 V 3.3324 7.5316 118.4794 66.3235 31.4656 177.8233 74 C 3.7290 7.6685 116.1293 62.9671 27.8181 176.0906 75 M 4.2329 7.9112 120.0959 58.4782 31.5226 178.1608 76 Y 3.7697 8.0421 119.8774 60.3521 38.8283 177.8681 77 F 4.4118 7.7953 118.8070 61.0309 39.0241 177.6620 78 T 3.8605 8.0000 114.9477 66.8011 68.2404 175.7286 79 Y 4.2847 8.2705 121.4544 60.7804 38.8011 178.1135 80 K 3.5535 8.1356 120.4734 59.5229 32.0476 178.8218 81 V 3.4303 7.4303 116.9312 65.9574 31.4534 177.6455 82 R 3.7561 7.9585 117.8085 58.8081 29.9932 177.1487 83 Y 4.5045 7.4513 113.7040 57.0868 38.8916 176.0719 84 T 4.0464 7.2628 111.2346 62.4342 69.6171 173.9745 85 N 4.1715 8.6636 119.6418 54.5628 36.1921 173.7686 86 S 4.7581 8.0510 111.4781 56.4793 64.3616 173.8209 87 S 4.3465 8.5954 121.3751 59.9355 63.5920 174.3893 88 T 4.1339 7.1924 114.3791 61.0551 67.7557 173.3752 89 E 3.9536 8.5942 126.1163 56.4562 30.0283 176.1241 90 I 3.7170 8.0715 127.2559 59.2431 38.3309 173.9723 91 P 4.4966 0.0000 0.0000 61.7595 32.3189 175.6860 92 E 4.0264 8.4187 120.5340 56.1069 30.1635 176.2968 93 F 3.9901 8.5263 127.7527 55.9131 39.2056 173.4868 94 P 4.1551 0.0000 0.0000 62.6059 31.5859 176.0210 95 I 4.3037 7.9600 122.2313 58.9812 39.9094 174.9396 96 A 4.1140 8.3763 129.1787 51.2302 19.1277 175.9956 97 P 4.2463 0.0000 0.0000 66.0904 31.2012 178.9028 98 E 4.1064 8.2376 115.2226 58.1442 29.6168 177.9909 99 I 4.3425 7.7520 111.3880 60.3430 38.5216 177.0088 100 A 3.9589 7.6576 123.6832 55.6909 18.0882 179.4226 101 L 3.8978 7.8563 116.1203 58.0572 41.7539 179.4592 102 E 3.9057 8.1232 117.7525 59.5030 29.4365 179.1083 103 L 3.8538 8.1934 120.5450 57.8567 41.9787 178.7769 104 L 3.8642 8.0919 120.6269 58.5476 42.0202 178.9708 105 M 4.0437 8.2417 118.4749 58.0714 31.7443 178.7108 106 A 3.9643 8.2351 120.9473 55.2094 18.5682 179.3446 107 A 3.7831 8.5114 119.6459 55.3791 18.1282 179.4029 108 N 4.2113 8.2288 114.7222 56.8304 39.1574 176.6020 109 F 4.4056 8.3079 121.1969 60.9403 39.8051 176.1940 110 L 3.9926 8.6344 118.0216 52.5803 42.8897 175.4587 111 D 4.5849 7.6600 118.1748 54.6291 39.8045 173.1583 112 C 4.3289 7.4401 116.4013 58.5697 29.4797 174.6629 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 17 M 8.16 4.42 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.83 0.00 18 Y 7.94 4.91 0.00 2.91 2.83 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 19 V 9.32 4.76 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 0.83 0.00 0.00 1.04 0.00 0.00 20 K 9.53 5.12 0.00 1.83 1.70 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 21 L 9.45 5.26 0.00 1.92 1.95 1.30 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.62 5.10 1.94 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 1.49 1.24 0.97 0.00 0.00 23 S 9.10 5.01 0.00 4.31 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 24 S 9.71 4.33 0.00 4.04 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 0.00 25 D 8.19 4.63 0.00 2.84 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 26 G 8.04 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 27 H 8.38 4.29 0.00 3.19 2.66 0.00 5.76 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 28 E 8.35 5.12 0.00 1.73 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 2.18 2.23 0.00 29 F 9.68 4.80 0.00 3.10 3.07 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 30 I 8.58 5.01 1.89 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 1.28 0.58 0.91 0.00 0.00 31 V 8.85 4.81 2.31 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 1.19 0.00 0.00 1.20 0.00 0.00 32 K 8.61 3.62 0.00 1.43 1.36 0.00 1.38 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.75 1.10 7.81 33 R 9.36 3.80 0.00 1.75 1.84 0.00 3.09 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 1.58 1.61 0.00 34 E 7.99 3.84 0.00 1.94 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 2.29 2.37 0.00 35 H 8.19 4.22 0.00 3.39 3.42 0.00 5.87 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 36 A 7.81 3.04 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 37 L 7.23 4.05 0.00 1.71 1.65 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.09 4.03 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 1.42 0.00 0.00 39 S 7.53 4.46 0.00 4.01 3.81 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 40 G 8.77 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 0.00 0.00 0.00 41 T 7.65 3.81 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 1.00 0.00 0.00 42 I 7.67 3.91 1.99 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.76 0.94 0.00 0.00 43 K 8.44 3.84 0.00 1.89 1.97 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 44 A 7.95 4.12 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 45 M 7.69 4.21 0.00 1.96 2.28 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 46 L 7.61 4.54 0.00 1.61 1.66 0.92 0.89 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 47 S 7.34 4.71 0.00 3.95 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 48 G 7.55 3.98 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 0.00 0.00 0.00 49 P 0.00 4.41 0.00 2.19 2.08 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 *58 N 8.27 4.58 0.00 2.72 2.83 0.00 0.00 6.20 7.66 0.00 0.00 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 E 8.78 5.05 0.00 1.94 1.79 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 2.16 2.27 0.00 60 V 9.16 4.28 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 -0.02 0.00 0.00 0.87 0.00 0.00 61 N 8.47 4.98 0.00 2.57 2.71 0.00 0.00 6.84 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 62 F 8.39 5.67 0.00 3.32 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 63 R 8.09 4.29 0.00 1.92 2.01 0.00 3.13 0.00 0.00 3.42 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 64 E 8.15 4.41 0.00 1.99 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 2.01 1.86 0.00 65 I 7.78 4.57 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.82 0.82 0.00 0.00 66 P 0.00 5.13 0.00 1.97 2.02 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 67 S 8.80 4.38 0.00 4.24 4.54 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 68 H 8.24 4.38 0.00 3.33 3.48 0.00 5.51 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.12 3.84 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 0.93 0.00 0.00 0.68 0.00 0.00 70 L 7.99 3.72 0.00 1.72 1.19 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.62 3.54 0.00 4.14 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 0.00 72 K 7.81 3.93 0.00 1.85 1.93 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.55 1.74 7.81 73 V 7.53 3.33 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 0.37 0.00 0.00 0.77 0.00 0.00 74 C 7.67 3.73 0.00 3.10 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 75 M 7.91 4.23 0.00 2.27 2.46 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.62 0.00 76 Y 8.04 3.77 0.00 2.53 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 77 F 7.80 4.41 0.00 3.36 3.09 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 78 T 8.00 3.86 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 79 Y 8.27 4.28 0.00 3.32 2.99 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 80 K 8.14 3.55 0.00 1.00 1.64 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.54 7.81 81 V 7.43 3.43 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 0.68 0.00 0.00 0.80 0.00 0.00 82 R 7.96 3.76 0.00 1.55 1.69 0.00 3.02 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 83 Y 7.45 4.50 0.00 2.63 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 84 T 7.26 4.05 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 1.17 0.00 0.00 85 N 8.66 4.17 0.00 2.86 2.92 0.00 0.00 6.75 7.57 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 86 S 8.05 4.76 0.00 3.79 3.96 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 87 S 8.60 4.35 0.00 4.02 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 88 T 7.19 4.13 4.30 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 1.39 0.00 0.00 89 E 8.59 3.95 0.00 1.97 1.85 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 2.26 2.33 0.00 90 I 8.07 3.72 1.77 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 1.26 0.77 0.64 0.00 0.00 91 P 0.00 4.50 0.00 2.20 2.02 0.00 2.44 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 92 E 8.42 4.03 0.00 1.94 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 2.28 2.37 0.00 93 F 8.53 3.99 0.00 2.33 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 94 P 0.00 4.16 0.00 2.00 1.85 0.00 2.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 95 I 7.96 4.30 1.87 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 1.45 0.94 0.91 0.00 0.00 96 A 8.38 4.11 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 P 0.00 4.25 0.00 2.15 2.12 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 98 E 8.24 4.11 0.00 1.90 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 2.30 2.41 0.00 99 I 7.75 4.34 1.89 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 1.66 1.21 0.95 0.00 0.00 100 A 7.66 3.96 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 0.00 101 L 7.86 3.90 0.00 1.69 1.72 0.91 0.91 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 0.00 102 E 8.12 3.91 0.00 2.12 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 2.39 2.38 0.00 103 L 8.19 3.85 0.00 1.82 1.78 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.09 3.86 0.00 1.81 1.87 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 M 8.24 4.04 0.00 2.06 2.17 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 2.72 2.54 0.00 106 A 8.24 3.96 1.31 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 0.00 107 A 8.51 3.78 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 0.00 108 N 8.23 4.21 0.00 2.77 3.05 0.00 0.00 7.21 7.11 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 0.00 109 F 8.31 4.41 0.00 2.98 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 0.00 110 L 8.63 3.99 0.00 1.61 1.61 0.73 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.66 4.58 0.00 2.76 2.53 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 0.00 112 C 7.44 4.33 0.00 3.30 3.02 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 * Residues marked with a * may have inaccurate shift predictions.