NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4498 8.1749 115.2404 62.1888 68.8534 172.8929 2 T 4.6351 9.2197 124.4887 62.0436 73.4257 171.4122 3 I 5.1034 8.9641 125.7092 60.1399 41.8831 174.1395 4 V 4.6444 9.0265 118.7437 59.9621 36.0556 174.2052 5 S 5.5618 8.2950 114.2425 58.2447 65.3122 172.9609 6 V 4.5427 8.1448 123.1622 61.9640 35.4922 173.2365 7 R 4.9695 8.3548 123.7926 55.1697 32.5323 174.3615 8 R 4.6321 8.7703 125.8286 55.5050 34.4490 174.9411 9 N 3.9549 8.5310 120.5205 54.9122 37.8781 176.4793 10 G 4.0671 8.5781 111.1131 45.6128 0.0000 173.1687 11 H 4.9616 8.2111 115.6905 54.1182 33.7663 174.3796 12 V 4.9318 8.5370 122.7280 59.8973 33.8338 175.1016 13 V 4.6297 8.8372 122.8113 61.2167 35.5072 173.9969 14 I 5.2481 8.3037 124.4992 59.5645 40.7383 174.7425 15 A 4.6771 9.2576 128.1284 50.4382 22.4998 175.1794 16 G 4.4042 8.5493 108.4137 44.4984 0.0000 172.8027 17 D 4.9156 8.2023 120.3008 52.9827 41.6194 177.4406 18 G 4.2408 8.2283 106.7048 46.3108 0.0000 172.0684 19 Q 4.4955 8.7861 123.1655 55.3907 29.6280 176.1692 20 A 4.5275 9.1889 131.0645 50.9516 18.0618 175.4155 21 T 4.5437 7.9152 114.5650 60.9997 68.9967 174.3015 22 L 4.2911 8.8916 129.2585 54.6413 44.4190 173.7629 23 G 4.1845 8.8445 117.0879 45.4498 0.0000 173.4374 24 N 4.7476 7.6971 113.7820 52.2768 38.6029 174.5308 25 T 4.5090 8.3141 113.3780 60.8228 70.3919 172.8537 26 V 4.3023 8.3800 128.5800 62.3758 31.8503 175.4659 27 M 4.2421 9.2306 126.2603 57.1985 32.0123 176.0296 28 K 4.5548 7.6588 118.2864 55.7222 35.8127 175.5186 29 G 4.8915 8.0417 109.1496 43.4859 0.0000 173.4691 30 N 4.6599 7.4334 107.2988 51.9603 37.7652 175.4988 31 V 3.7751 7.6907 113.0587 62.0012 32.3141 175.9938 32 K 4.4369 8.6097 124.5628 55.7815 31.3370 176.7453 33 K 3.6874 8.4521 124.3143 56.9638 32.7758 176.8695 34 V 5.0524 7.4372 118.3694 61.3247 33.7539 174.7321 35 R 4.7705 8.7515 122.4501 55.6607 33.1273 173.2617 36 R 4.9511 8.4442 114.4903 54.6447 32.0295 174.7800 37 L 4.6028 8.6372 120.4403 53.9901 45.7334 175.6983 38 Y 3.6603 9.7751 114.6650 61.4025 37.1219 172.3959 38A N 4.2133 8.7559 123.6136 54.9055 36.4785 174.0166 39 D 4.4611 7.8493 109.6189 55.6211 39.6909 175.5591 40 K 4.3896 7.9502 120.3368 56.4478 34.5950 175.9820 41 V 4.6137 7.5803 117.6996 61.0228 34.6051 174.8405 42 I 4.7739 8.5981 127.6773 60.1543 40.4649 174.0325 43 A 5.0628 8.6557 124.1222 51.7228 23.3089 175.4647 44 G 4.6727 9.5740 106.0620 44.8403 0.0000 172.1059 45 F 5.7490 8.7499 117.6739 54.6542 40.9169 174.1304 46 A 4.4807 9.4430 121.5843 49.4073 21.1516 172.9318 47 G 4.2637 8.7527 110.4644 44.5535 0.0000 175.1139 48 G 4.0592 8.6827 115.9948 45.1792 0.0000 174.8425 49 T 3.0133 7.9264 116.4669 64.6104 69.8993 174.4841 50 A 3.6898 8.0838 123.3350 53.9413 18.0459 178.7350 51 D 4.3868 8.1376 115.4309 56.4480 41.3902 179.0076 52 A 3.3241 7.1682 120.1414 55.2944 18.0415 179.3834 53 F 4.1004 8.3893 115.6764 61.1914 38.9600 178.1427 54 T 3.8415 8.1380 115.2404 66.6150 68.1665 176.6471 55 L 3.7106 8.0785 120.8912 57.7275 41.5947 179.3400 56 F 4.7298 8.4344 118.0946 61.2121 38.8517 177.2633 57 E 3.9612 8.5306 118.0705 59.4025 29.2055 178.8692 58 L 3.9341 8.2330 119.9352 58.5663 42.1238 179.2671 59 F 4.1719 9.0812 121.1913 61.3163 39.4347 176.8434 60 E 3.7684 8.8308 119.2072 58.7000 29.2965 178.8608 61 R 3.7790 8.2079 119.5256 59.4074 30.0895 178.6628 62 K 3.9766 7.9145 116.5127 58.8632 32.1397 178.7290 63 L 3.9262 7.5202 121.5062 57.9077 42.0093 178.4073 64 E 3.9964 8.3619 118.2450 59.8251 29.6224 178.9557 65 M 4.2816 7.9676 114.6124 57.2840 32.0656 176.3169 66 H 4.7825 8.3295 113.8477 56.3275 31.2047 174.3735 67 Q 3.6724 8.3969 123.0363 57.3159 28.7497 174.3042 *74 G 3.7068 8.3242 103.0148 43.3207 0.0000 173.9026 75 H 4.5438 7.9473 121.8102 54.1576 27.9090 174.8824 76 L 3.8525 8.1698 126.0605 58.5357 42.3719 177.9022 77 V 3.3744 7.9186 115.7871 66.3890 31.5441 177.4438 78 K 3.6099 7.8142 117.8189 59.7043 31.9998 178.2898 79 A 4.0565 8.0968 120.2677 55.3881 18.2633 179.3372 80 A 4.3986 8.8199 119.2059 55.5462 18.5127 179.7541 81 V 3.5574 8.2491 116.9631 66.3269 31.5586 177.6074 82 E 3.9465 8.8650 119.2041 59.3082 29.3721 178.3958 83 L 4.0151 8.4277 120.1067 58.4063 42.1945 178.5236 84 A 4.3917 8.7148 121.0286 56.2136 18.0001 178.4043 85 K 3.9226 8.2589 116.8019 58.9957 31.9405 177.7616 86 D 4.6233 8.3329 117.8680 57.9245 41.3506 178.7607 87 W 4.5391 8.8295 128.8710 60.6009 30.4257 177.5162 88 R 4.3303 8.4445 117.6643 55.5307 30.4513 176.8848 89 T 4.2260 8.1945 112.3088 62.6833 69.7402 175.9877 90 D 4.2373 6.0500 124.7110 54.8694 40.4687 178.3336 *92 R 4.2395 8.5638 122.9476 56.5773 31.8009 176.3872 93 M 4.1252 7.8938 116.3608 59.0043 32.2234 177.9991 93A L 4.0719 8.6208 118.8903 57.7024 41.6942 179.2082 93B R 4.1176 7.7953 117.1425 58.1729 29.9578 177.7870 94 K 4.3424 7.9504 117.2833 57.9698 32.8861 177.3574 95 L 4.1783 7.4317 118.8852 54.6253 41.9377 176.0898 96 E 4.8407 8.4750 123.6291 54.2611 32.1965 174.7014 97 A 4.6534 8.0650 123.3899 52.4332 23.7234 174.3535 98 L 5.2603 8.0550 114.3176 53.5625 46.5902 175.7484 99 L 5.3714 9.7445 123.1577 52.9342 44.9997 175.1080 100 A 5.0827 9.4657 126.2996 50.3637 21.0014 175.7602 101 V 4.9315 8.5195 121.8402 61.6147 35.6267 174.0176 102 A 5.6018 8.4844 125.9783 52.6821 23.3007 175.2008 103 D 4.2499 8.0673 115.6275 53.6924 42.4569 175.3009 104 E 4.0216 9.2011 117.7002 60.3684 29.0676 178.2211 105 T 3.4385 7.2487 113.2087 67.2406 69.2044 176.7394 *109 A 4.5791 7.4864 125.5243 52.3919 21.2110 175.2629 110 S 5.3380 8.4416 109.4368 57.3268 66.9753 174.0601 111 L 4.7675 9.1751 122.0933 54.9337 44.1095 174.2254 112 I 4.6553 8.9127 124.4208 61.1277 38.9150 174.9763 113 I 5.2189 9.2455 126.8091 59.9256 40.3680 174.7636 114 T 4.5787 8.6861 117.4777 59.6821 71.1349 175.9430 115 G 2.0000 7.0414 109.9779 48.3408 0.0000 174.4883 116 N 3.9814 6.9661 118.4235 55.7890 38.8529 174.5953 117 G 4.0149 7.4132 106.4255 45.7148 0.0000 171.4487 118 D 4.2995 7.8392 119.2436 53.4932 45.2929 174.8112 119 V 4.8310 8.6821 124.3209 61.0428 33.6915 174.9160 120 V 4.5963 9.1425 127.6156 61.1087 35.2672 173.7878 121 Q 5.0085 8.6731 125.9888 53.9809 29.7047 173.8493 122 P 4.5091 0.0000 0.0000 62.0045 32.3347 176.1504 123 E 4.1359 8.5301 116.6561 56.8435 29.3922 177.1239 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 1 T 8.17 4.45 4.21 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 1.20 0.00 0.00 2 T 9.22 4.64 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 1.20 0.00 0.00 3 I 8.96 5.10 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.36 0.95 0.00 0.00 4 V 9.03 4.64 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 0.72 0.00 0.00 1.01 0.00 0.00 5 S 8.30 5.56 0.00 3.82 3.68 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 6 V 8.14 4.54 2.09 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 0.93 0.00 0.00 0.93 0.00 0.00 7 R 8.35 4.97 0.00 1.81 1.76 0.00 3.23 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 8 R 8.77 4.63 0.00 1.83 1.78 0.00 3.50 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 9 N 8.53 3.95 0.00 2.92 2.18 0.00 0.00 6.99 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 10 G 8.58 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 11 H 8.21 4.96 0.00 3.03 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.54 4.93 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 0.71 0.00 0.00 1.00 0.00 0.00 13 V 8.84 4.63 2.09 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 0.94 0.00 0.00 0.94 0.00 0.00 14 I 8.30 5.25 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 1.28 0.79 0.96 0.00 0.00 15 A 9.26 4.68 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 16 G 8.55 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 17 D 8.20 4.92 0.00 2.82 2.71 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 18 G 8.23 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 0.00 0.00 0.00 0.00 19 Q 8.79 4.50 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 20 A 9.19 4.53 1.26 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 0.00 0.00 0.00 21 T 7.92 4.54 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 22 L 8.89 4.29 0.00 1.65 1.45 0.92 1.27 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 23 G 8.84 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 24 N 7.70 4.75 0.00 2.79 2.84 0.00 0.00 5.66 7.71 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 25 T 8.31 4.51 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 1.27 0.00 0.00 26 V 8.38 4.30 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 0.98 0.00 0.00 0.93 0.00 0.00 27 M 9.23 4.24 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 28 K 7.66 4.55 0.00 1.76 1.64 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 G 8.04 4.89 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 0.00 0.00 0.00 30 N 7.43 4.66 0.00 2.78 2.85 0.00 0.00 6.39 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 31 V 7.69 3.78 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 0.88 0.00 0.00 0.95 0.00 0.00 32 K 8.61 4.44 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.58 7.81 33 K 8.45 3.69 0.00 1.59 1.38 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.06 1.42 7.81 34 V 7.44 5.05 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 0.90 0.00 0.00 0.93 0.00 0.00 35 R 8.75 4.77 0.00 1.91 2.14 0.00 2.88 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.35 0.00 36 R 8.44 4.95 0.00 1.76 1.88 0.00 2.97 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 37 L 8.64 4.60 0.00 1.57 1.81 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.78 3.66 0.00 3.02 2.96 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 38A N 8.76 4.21 0.00 2.88 2.80 0.00 0.00 7.23 8.04 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 39 D 7.85 4.46 0.00 2.84 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 40 K 7.95 4.39 0.00 1.82 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.29 7.81 41 V 7.58 4.61 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 1.01 0.00 0.00 0.83 0.00 0.00 42 I 8.60 4.77 1.86 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 1.15 0.71 0.95 0.00 0.00 43 A 8.66 5.06 0.98 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 44 G 9.57 4.67 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 0.00 0.00 0.00 45 F 8.75 5.75 0.00 2.92 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 46 A 9.44 4.48 1.26 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 0.00 0.00 0.00 47 G 8.75 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 0.00 0.00 0.00 0.00 48 G 8.68 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 49 T 7.93 3.01 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 0.84 0.00 0.00 50 A 8.08 3.69 1.17 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 0.00 0.00 51 D 8.14 4.39 0.00 2.60 2.71 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 52 A 7.17 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.39 4.10 0.00 3.15 3.06 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 54 T 8.14 3.84 4.14 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 0.00 0.00 1.18 0.00 0.00 55 L 8.08 3.71 0.00 1.35 1.14 0.27 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.43 4.73 0.00 2.91 2.96 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 57 E 8.53 3.96 0.00 2.22 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 2.29 2.45 0.00 58 L 8.23 3.93 0.00 1.81 1.81 0.93 0.80 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 59 F 9.08 4.17 0.00 3.20 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 60 E 8.83 3.77 0.00 2.25 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 2.24 2.35 0.00 61 R 8.21 3.78 0.00 1.89 2.10 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 62 K 7.91 3.98 0.00 1.82 1.88 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.66 7.81 63 L 7.52 3.93 0.00 1.58 1.79 0.65 1.04 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 E 8.36 4.00 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 2.41 2.23 0.00 65 M 7.97 4.28 0.00 1.96 2.07 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 2.53 2.32 0.00 66 H 8.33 4.78 0.00 3.23 3.20 0.00 5.96 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 67 Q 8.40 3.67 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 *74 G 8.32 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 0.00 0.00 0.00 75 H 7.95 4.54 0.00 3.15 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.17 3.85 0.00 1.97 1.70 1.16 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.92 3.37 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 0.87 0.00 0.00 1.03 0.00 0.00 78 K 7.81 3.61 0.00 1.63 1.81 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.20 7.81 79 A 8.10 4.06 1.22 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 0.00 0.00 80 A 8.82 4.40 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.56 2.20 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 1.01 0.00 0.00 1.02 0.00 0.00 82 E 8.86 3.95 0.00 2.20 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 2.44 2.45 0.00 83 L 8.43 4.02 0.00 2.24 2.19 1.06 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.71 4.39 1.50 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 0.00 0.00 0.00 85 K 8.26 3.92 0.00 1.97 2.09 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.53 7.81 86 D 8.33 4.62 0.00 3.00 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 87 W 8.83 4.54 0.00 3.56 3.27 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 88 R 8.44 4.33 0.00 1.92 1.98 0.00 3.27 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 89 T 8.19 4.23 4.41 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 1.25 0.00 0.00 90 D 6.05 4.24 0.00 2.97 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 *92 R 8.56 4.24 0.00 1.81 2.06 0.00 3.31 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 93 M 7.89 4.13 0.00 2.41 2.05 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 2.70 2.72 0.00 93A L 8.62 4.07 0.00 1.85 2.11 0.87 0.86 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 93B R 7.80 4.12 0.00 1.86 2.14 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 94 K 7.95 4.34 0.00 1.95 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.65 7.81 95 L 7.43 4.18 0.00 1.92 1.72 0.95 0.83 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 96 E 8.48 4.84 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 2.22 0.00 97 A 8.06 4.65 1.42 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 98 L 8.06 5.26 0.00 1.67 1.58 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.74 5.37 0.00 1.65 1.63 0.84 0.55 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 0.00 100 A 9.47 5.08 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 0.00 101 V 8.52 4.93 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 0.98 0.00 0.00 0.76 0.00 0.00 102 A 8.48 5.60 1.24 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 0.00 0.00 0.00 103 D 8.07 4.25 0.00 2.86 2.64 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 0.00 104 E 9.20 4.02 0.00 1.94 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 2.30 2.32 0.00 105 T 7.25 3.44 4.46 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 1.23 0.00 0.00 *109 A 7.49 4.58 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 0.00 110 S 8.44 5.34 0.00 3.72 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 0.00 111 L 9.18 4.77 0.00 1.70 1.84 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.91 4.66 1.89 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 1.26 0.52 0.94 0.00 0.00 113 I 9.25 5.22 2.13 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 1.23 0.00 0.00 114 T 8.69 4.58 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 1.16 0.00 0.00 115 G 7.04 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 0.00 0.00 0.00 0.00 0.00 0.00 116 N 6.97 3.98 0.00 2.57 2.71 0.00 0.00 7.40 7.83 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 0.00 117 G 7.41 4.01 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 0.00 0.00 0.00 118 D 7.84 4.30 0.00 2.46 2.50 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 0.00 119 V 8.68 4.83 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 0.83 0.00 0.00 0.99 0.00 0.00 120 V 9.14 4.60 2.09 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 0.98 0.00 0.00 0.93 0.00 0.00 121 Q 8.67 5.01 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 122 P 0.00 4.51 0.00 2.20 2.15 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 123 E 8.53 4.14 0.00 1.98 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 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.