NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8596 8.3093 115.8597 57.2279 40.2407 176.2306 11 H 4.0022 6.4368 116.6980 57.0744 28.9264 173.5378 12 E 3.8038 7.9873 121.1548 58.7514 30.1205 178.5668 13 M 4.6464 7.5954 115.9226 55.1419 32.5792 176.8986 14 R 4.6343 8.1454 116.5642 55.9341 34.6421 175.7924 15 E 4.0252 8.1284 116.6585 55.2341 29.9724 174.7938 16 P 4.3162 0.0000 0.0000 62.9460 32.5331 175.0743 17 R 4.1989 7.5354 114.3219 55.4990 33.0724 173.9830 18 I 4.4168 8.3640 121.7626 60.8044 37.1957 175.3885 19 E 4.3045 9.1274 130.2561 58.5783 30.3660 176.8173 20 K 4.6938 7.5184 115.0098 55.9052 35.8307 174.8201 21 V 4.6060 8.6287 123.1153 61.3485 33.8412 174.4874 22 V 4.4751 8.2709 129.7991 61.7274 32.9324 174.9028 23 V 4.6445 8.3860 122.7014 59.9585 33.4966 174.7228 24 H 5.2639 8.9503 124.6545 54.6754 33.7501 172.0937 25 M 4.4849 8.5321 122.7760 53.4852 34.4220 175.2448 26 G 3.5201 8.2871 112.5000 46.5243 0.0000 172.0399 27 I 3.6679 8.3595 128.6288 59.7782 36.6494 174.8847 28 G 3.4294 6.2116 120.0114 45.2142 0.0000 172.8762 29 H 4.7590 7.4093 120.1093 55.6282 31.4184 174.4460 *35 A 4.3599 7.5166 123.6372 51.8593 18.6878 178.8252 36 N 4.4309 9.3592 125.4659 55.7598 37.0062 175.8957 37 A 3.7652 7.8677 123.4261 54.9860 18.6864 178.8174 38 E 3.8661 8.3337 117.4630 59.9678 29.5171 179.3744 39 D 4.3347 7.6642 118.5440 57.4939 40.9912 178.9194 40 I 3.7713 7.4993 112.9194 64.0150 37.4097 178.2032 41 L 4.1292 7.9264 120.5938 57.4097 41.5597 179.3412 42 G 3.7228 8.0088 105.5876 47.3499 0.0000 175.6836 43 E 4.0725 7.9466 119.8806 58.8198 29.5599 178.8379 44 I 4.0068 7.8206 118.3997 63.1961 38.1065 177.2567 45 T 4.4192 7.8600 109.6593 64.8344 69.6933 175.4753 46 G 3.9583 7.4060 107.1016 44.6155 0.0000 172.8115 47 Q 4.5648 8.0957 117.3628 54.2586 31.9858 174.1225 48 M 4.1431 8.3798 117.8964 55.0324 32.3730 174.6253 49 P 4.8733 0.0000 0.0000 61.8244 34.1408 174.7674 50 V 4.3890 8.1541 118.2690 60.8473 34.1890 175.1453 51 R 4.4272 8.8802 126.7177 57.1603 31.2034 176.4597 52 T 4.5040 8.6675 117.6321 61.8731 71.3948 173.9439 53 K 4.9100 8.9606 125.4322 55.0168 33.6503 175.8963 54 A 4.8770 8.0645 122.1260 50.2239 22.0564 175.6332 55 K 4.5848 8.2805 117.2322 55.4687 35.4389 173.2351 56 R 3.9281 8.6351 127.8946 55.7861 30.2093 176.5199 57 T 4.3930 8.2863 117.8480 63.2103 69.5100 174.3477 58 V 4.5380 8.4003 124.0929 60.6252 34.5978 176.9373 59 G 3.6497 8.7612 114.1958 48.4592 0.0000 174.6112 60 E 4.2608 8.1057 118.9423 58.4212 28.0425 176.1076 61 F 4.1709 7.6663 112.2756 60.2687 39.1924 174.6635 62 D 5.0372 7.7267 114.5612 52.7761 40.8016 176.8643 63 I 3.8177 7.6356 114.2276 63.2344 38.8568 177.0550 64 R 3.8483 7.9008 121.3786 55.9445 29.1566 174.7177 65 E 3.8014 8.3304 128.8088 58.1636 30.1162 175.9676 66 G 3.9761 7.8957 115.9717 45.3512 0.0000 172.5091 67 D 4.3451 8.4942 121.3645 51.5218 41.4476 173.7853 68 P 4.2337 0.0000 0.0000 63.0940 32.0422 175.4515 69 I 4.6780 8.4290 118.3009 62.3951 44.5189 174.3806 70 G 4.3527 7.7799 106.7113 46.0360 0.0000 171.6457 71 A 5.9143 8.4462 119.2461 50.9604 23.4422 175.4512 72 K 4.9817 8.3061 116.8521 56.0956 36.7470 175.2199 73 V 4.5902 8.5178 120.4934 61.8077 34.9829 173.3783 74 T 4.5477 8.5388 119.0227 60.4092 69.7002 173.9138 75 L 4.6360 8.5517 127.6276 53.4175 43.7275 176.2586 76 R 4.7788 7.9131 120.2647 54.7477 34.2565 176.1354 77 D 4.3984 8.9652 120.6170 55.7011 39.0899 176.4547 78 E 3.9605 8.9468 123.8680 60.9861 29.2421 178.2895 79 M 4.1660 8.2760 117.8733 58.4482 31.8526 178.5688 80 A 4.1250 7.7806 120.0165 54.8270 19.1500 179.1828 81 E 3.9475 8.1207 116.9391 59.7356 29.4942 179.3593 82 E 4.1661 8.5421 117.2798 58.6464 29.8440 178.4905 83 F 4.4925 7.4960 117.9097 60.3602 40.0850 177.5897 84 L 4.0771 8.2018 118.5162 57.4847 41.2367 178.9376 85 Q 4.1299 8.3878 117.3977 57.8584 28.6383 177.1093 86 T 4.4078 7.3741 106.5901 61.3878 70.6921 175.1136 87 A 3.9141 7.6968 125.7731 54.8867 19.0855 179.1493 88 L 3.6424 8.1785 115.1473 57.5226 41.8833 178.3909 89 P 4.4165 0.0000 0.0000 65.4105 31.2670 176.8460 90 L 4.5051 8.0431 116.5526 54.2617 41.4912 175.8709 91 A 4.7911 8.2248 121.0181 50.6961 22.5170 176.9079 92 E 4.6467 8.2693 117.6881 53.8779 29.3479 176.1500 93 L 3.9640 7.5808 117.7073 55.3510 41.9552 176.9334 94 A 5.5899 8.2520 123.1150 49.2771 22.0791 176.1726 95 T 3.8326 7.9477 115.5906 66.0823 68.9100 177.1729 96 S 4.1708 8.1432 118.2761 61.8153 62.6366 175.7676 97 Q 4.2922 7.9583 118.2553 56.9897 28.4037 175.5545 98 F 4.9777 8.1753 117.4340 55.6212 40.7326 175.2612 99 D 4.7252 10.0639 123.5515 54.2155 41.8808 175.6779 100 D 4.6966 8.5313 118.9974 55.4223 41.3607 177.6794 101 T 4.4990 8.0450 114.3654 63.0605 68.5565 174.8389 102 G 3.9675 8.3803 108.6382 46.5148 0.0000 173.0376 103 N 5.3377 7.7691 116.0638 51.3558 42.5580 173.2151 104 F 4.8738 7.8597 111.3598 56.3393 41.3271 173.0644 105 S 4.9621 8.3210 115.4044 56.6039 65.3566 172.8791 106 F 4.9275 8.8583 120.6215 55.4669 41.6094 172.5742 107 G 4.2069 8.9023 102.0755 44.3373 0.0000 173.3405 *128 L 4.0001 8.5324 123.3100 55.1863 43.5480 176.5394 129 D 4.8295 8.7665 126.4595 53.0325 43.6211 176.0717 130 V 4.3774 7.9696 120.8452 61.6689 34.6824 174.1312 131 T 4.7894 8.6947 124.8501 61.5517 71.4528 173.5482 132 V 4.4649 7.9042 124.3510 61.1045 34.3857 173.6719 133 N 5.0197 9.1650 128.1019 52.3230 40.0765 173.4958 134 L 5.3057 8.1190 126.1389 53.2471 44.4772 175.9010 135 V 4.2269 7.9031 120.0431 61.2238 35.4066 171.7840 136 R 4.3042 8.3224 117.1681 55.1065 31.3428 177.0791 137 P 4.1456 0.0000 0.0000 65.4337 31.8545 177.6602 138 G 4.1478 8.0340 106.6572 46.0141 0.0000 175.2007 139 Y 4.1608 7.7557 122.3372 60.0548 38.8514 176.3146 140 R 3.8653 8.2137 119.3379 59.2091 29.9195 178.2139 141 V 3.5803 7.6301 117.9203 65.0242 31.1949 176.6251 142 A 4.9418 7.5856 119.1942 50.9739 19.4531 176.8722 143 K 4.2607 7.3758 116.0158 56.3672 34.4130 176.7755 144 R 4.2225 7.6231 114.9559 55.6729 30.3110 176.7405 145 D 4.4350 8.4782 117.7625 57.1381 41.2610 177.6568 146 K 4.0297 7.9144 118.4715 57.4821 32.6777 176.8104 147 A 3.7996 8.8128 124.0470 52.4789 16.3356 177.0051 148 S 4.4980 7.1808 112.6398 61.0596 63.8421 173.4652 149 R 4.5989 8.8411 119.5932 55.3636 33.7561 173.7893 150 S 4.6658 8.4941 118.3730 57.4436 63.6169 173.8101 151 I 3.9226 8.2489 127.0053 60.3862 37.6346 174.4599 152 P 4.3926 0.0000 0.0000 62.6685 32.0853 177.1191 153 T 3.8954 8.8628 113.1797 65.4489 68.0139 176.4607 154 K 3.9370 8.0876 119.4670 59.0590 32.2003 177.5713 155 H 4.6566 8.0385 115.3673 55.4489 30.1698 175.2682 156 R 4.2575 7.3243 118.7837 56.2995 30.8106 175.6825 157 L 4.4229 8.1067 121.1878 54.4355 43.4835 176.0375 158 N 5.1122 7.7485 117.5632 50.4418 42.5619 174.4153 159 P 4.3352 0.0000 0.0000 66.1215 31.3995 178.4240 160 A 3.8610 8.0191 118.6653 55.6183 18.2254 179.0508 161 D 4.3262 8.2381 115.8730 57.2716 40.8500 179.3640 162 A 4.0687 8.0035 121.3223 55.1133 18.5231 179.3814 163 V 3.1769 7.7355 116.8310 66.5869 31.3927 177.3892 164 A 3.9804 8.0995 119.7759 55.4806 17.8595 178.9158 165 F 4.0765 8.0919 117.8176 61.6182 39.6266 177.7836 166 I 3.5877 7.7074 117.3169 64.3876 37.3056 177.4229 167 E 4.6073 8.7239 122.1173 58.6616 29.0789 178.6976 168 S 4.6574 8.1080 111.6042 57.6949 64.2892 175.1730 169 T 4.7657 8.0177 114.3759 62.8476 70.7349 173.1535 170 Y 3.3672 7.8813 120.6053 57.9616 35.4577 168.7239 171 D 4.3902 6.7531 117.2095 53.9022 43.5350 175.3724 172 V 4.7385 8.0400 117.0968 61.0996 35.6314 178.5175 173 E 4.3607 9.0846 123.8119 57.0308 28.8997 177.2874 174 V 3.7213 7.6172 116.4205 61.8126 31.9556 175.1563 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 10 F 8.31 4.86 0.00 3.18 3.31 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 11 H 6.44 4.00 0.00 3.16 2.61 0.00 5.49 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 12 E 7.99 3.80 0.00 1.55 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 2.22 2.27 0.00 13 M 7.60 4.65 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 14 R 8.15 4.63 0.00 1.92 1.92 0.00 3.36 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 15 E 8.13 4.03 0.00 2.11 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 2.52 2.31 0.00 16 P 0.00 4.32 0.00 0.83 1.58 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 17 R 7.54 4.20 0.00 1.77 1.83 0.00 2.74 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 1.47 0.00 18 I 8.36 4.42 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.97 0.00 0.00 19 E 9.13 4.30 0.00 1.84 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 2.30 2.27 0.00 20 K 7.52 4.69 0.00 1.77 1.81 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.33 7.81 21 V 8.63 4.61 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 1.06 0.00 0.00 0.99 0.00 0.00 22 V 8.27 4.48 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 0.89 0.00 0.00 0.85 0.00 0.00 23 V 8.39 4.64 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 0.05 0.00 0.00 0.65 0.00 0.00 24 H 8.95 5.26 0.00 3.21 2.96 0.00 5.52 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 25 M 8.53 4.48 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 26 G 8.29 3.52 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 0.00 27 I 8.36 3.67 1.93 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 0.67 0.70 0.00 0.00 28 G 6.21 3.43 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 0.00 29 H 7.41 4.76 0.00 3.14 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.52 4.36 1.12 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 0.00 0.00 36 N 9.36 4.43 0.00 2.92 3.09 0.00 0.00 5.84 7.46 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 37 A 7.87 3.77 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 38 E 8.33 3.87 0.00 2.01 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 0.00 2.32 2.46 0.00 39 D 7.66 4.33 0.00 2.55 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 40 I 7.50 3.77 1.88 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 1.74 0.68 0.91 0.00 0.00 41 L 7.93 4.13 0.00 1.85 1.71 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.01 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 0.00 0.00 0.00 43 E 7.95 4.07 0.00 2.01 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 2.52 0.00 44 I 7.82 4.01 2.03 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.87 1.06 0.00 0.00 45 T 7.86 4.42 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 0.98 0.00 0.00 46 G 7.41 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 0.00 0.00 0.00 47 Q 8.10 4.56 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 48 M 8.38 4.14 0.00 2.01 2.02 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 2.59 2.52 0.00 49 P 0.00 4.87 0.00 2.04 2.04 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 50 V 8.15 4.39 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 1.03 0.00 0.00 0.94 0.00 0.00 51 R 8.88 4.43 0.00 1.72 1.85 0.00 3.34 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.67 4.50 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 1.21 0.00 0.00 53 K 8.96 4.91 0.00 1.63 1.72 0.00 1.73 0.00 0.00 1.24 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.27 7.81 54 A 8.06 4.88 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 55 K 8.28 4.58 0.00 1.61 1.69 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.42 7.81 56 R 8.64 3.93 0.00 1.97 1.95 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.29 4.39 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 1.24 0.00 0.00 58 V 8.40 4.54 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 1.08 0.00 0.00 0.99 0.00 0.00 59 G 8.76 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 0.00 0.00 0.00 60 E 8.11 4.26 0.00 2.14 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 2.34 0.00 61 F 7.67 4.17 0.00 3.02 3.04 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 62 D 7.73 5.04 0.00 2.90 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 63 I 7.64 3.82 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 1.02 0.00 0.00 64 R 7.90 3.85 0.00 1.77 2.15 0.00 3.21 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 65 E 8.33 3.80 0.00 2.04 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 0.00 2.37 2.43 0.00 66 G 7.90 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 67 D 8.49 4.35 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.03 2.04 0.00 3.65 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 2.02 2.14 0.00 69 I 8.43 4.68 2.02 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 1.13 0.87 0.90 0.00 0.00 70 G 7.78 4.35 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 71 A 8.45 5.91 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 72 K 8.31 4.98 0.00 1.75 1.87 0.00 1.43 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 8.52 4.59 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 0.93 0.00 0.00 0.91 0.00 0.00 74 T 8.54 4.55 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 1.16 0.00 0.00 75 L 8.55 4.64 0.00 1.57 1.62 0.50 0.71 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 76 R 7.91 4.78 0.00 1.62 1.76 0.00 3.31 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 77 D 8.97 4.40 0.00 2.89 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 78 E 8.95 3.96 0.00 2.02 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 2.41 2.42 0.00 79 M 8.28 4.17 0.00 2.01 2.30 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 2.70 2.59 0.00 80 A 7.78 4.13 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 81 E 8.12 3.95 0.00 2.19 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 2.38 2.57 0.00 82 E 8.54 4.17 0.00 1.98 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 2.36 2.52 0.00 83 F 7.50 4.49 0.00 3.34 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 84 L 8.20 4.08 0.00 1.93 1.79 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.39 4.13 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 86 T 7.37 4.41 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 1.15 0.00 0.00 87 A 7.70 3.91 1.01 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 88 L 8.18 3.64 0.00 1.78 1.68 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.42 0.00 2.13 2.13 0.00 3.64 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 2.18 2.12 0.00 90 L 8.04 4.51 0.00 1.77 1.72 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.22 4.79 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 92 E 8.27 4.65 0.00 1.94 1.88 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 2.19 2.29 0.00 93 L 7.58 3.96 0.00 1.60 1.68 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.25 5.59 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 95 T 7.95 3.83 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 1.19 0.00 0.00 96 S 8.14 4.17 0.00 4.03 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 97 Q 7.96 4.29 0.00 2.75 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 98 F 8.18 4.98 0.00 3.14 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 99 D 10.06 4.73 0.00 2.78 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 0.00 100 D 8.53 4.70 0.00 2.72 2.74 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 0.00 101 T 8.04 4.50 4.32 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 1.23 0.00 0.00 102 G 8.38 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 0.00 103 N 7.77 5.34 0.00 2.68 2.80 0.00 0.00 6.58 8.13 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 0.00 104 F 7.86 4.87 0.00 2.76 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 0.00 0.00 0.00 105 S 8.32 4.96 0.00 3.86 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 0.00 106 F 8.86 4.93 0.00 3.17 3.19 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 0.00 107 G 8.90 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 0.00 0.00 0.00 0.00 *128 L 8.53 4.00 0.00 1.75 1.60 0.94 1.17 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 0.00 129 D 8.77 4.83 0.00 2.75 2.45 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 0.00 130 V 7.97 4.38 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 0.00 0.00 0.90 0.00 0.00 0.90 0.00 0.00 131 T 8.69 4.79 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 1.08 0.00 0.00 132 V 7.90 4.46 1.38 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 1.08 0.00 0.00 0.75 0.00 0.00 133 N 9.16 5.02 0.00 2.74 2.60 0.00 0.00 6.58 6.21 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 0.00 134 L 8.12 5.31 0.00 1.72 1.47 1.25 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.90 4.23 1.55 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 0.24 0.00 0.00 0.68 0.00 0.00 136 R 8.32 4.30 0.00 1.82 2.14 0.00 2.96 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 137 P 0.00 4.15 0.00 2.11 2.09 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 138 G 8.03 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.76 4.16 0.00 3.28 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 0.00 140 R 8.21 3.87 0.00 1.93 1.93 0.00 3.24 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 141 V 7.63 3.58 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 0.96 0.00 0.00 0.97 0.00 0.00 142 A 7.59 4.94 1.05 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 0.00 0.00 143 K 7.38 4.26 0.00 1.59 1.76 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.75 1.26 7.81 144 R 7.62 4.22 0.00 1.90 1.91 0.00 3.10 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.00 145 D 8.48 4.43 0.00 2.67 2.74 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 0.00 146 K 7.91 4.03 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.81 3.80 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 0.00 148 S 7.18 4.50 0.00 3.80 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 0.00 149 R 8.84 4.60 0.00 1.81 1.72 0.00 3.07 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 150 S 8.49 4.67 0.00 3.91 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 0.00 151 I 8.25 3.92 1.98 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 1.47 1.18 1.05 0.00 0.00 152 P 0.00 4.39 0.00 2.21 1.99 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.86 3.90 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 1.23 0.00 0.00 154 K 8.09 3.94 0.00 1.77 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.59 7.81 155 H 8.04 4.66 0.00 3.13 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.32 4.26 0.00 2.05 1.87 0.00 3.43 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.75 0.00 157 L 8.11 4.42 0.00 1.53 1.76 0.89 0.92 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 0.00 158 N 7.75 5.11 0.00 3.08 2.69 0.00 0.00 7.11 7.91 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 0.00 159 P 0.00 4.34 0.00 2.15 2.16 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.44 0.00 160 A 8.02 3.86 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 0.00 161 D 8.24 4.33 0.00 2.84 2.78 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 0.00 162 A 8.00 4.07 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 0.00 0.00 0.00 0.00 0.00 163 V 7.74 3.18 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 0.75 0.00 0.00 0.21 0.00 0.00 164 A 8.10 3.98 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 0.00 165 F 8.09 4.08 0.00 3.02 3.36 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 0.00 166 I 7.71 3.59 1.90 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.14 0.91 0.00 0.00 167 E 8.72 4.61 0.00 1.95 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 2.26 2.14 0.00 168 S 8.11 4.66 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 0.00 169 T 8.02 4.77 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 0.00 170 Y 7.88 3.37 0.00 3.01 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 0.00 171 D 6.75 4.39 0.00 2.86 2.81 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 0.00 172 V 8.04 4.74 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 9.08 4.36 0.00 1.97 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 2.39 2.18 0.00 174 V 7.62 3.72 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 0.99 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.