NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 H 4.7857 8.4449 117.7958 55.4325 29.7909 172.7059 41 D 4.5384 8.4193 123.7026 52.5029 42.4128 173.8763 42 S 5.1354 9.5565 116.2251 56.8818 67.7423 172.5607 43 V 5.0725 8.5683 111.9265 60.0417 35.9248 174.8475 44 T 5.3210 8.8485 112.4535 60.0044 72.3672 173.0073 45 V 4.8559 9.0297 123.3166 59.9524 34.4494 174.3742 46 L 4.7088 9.1287 126.5012 53.5042 44.1174 174.7462 47 L 5.2102 8.4803 125.7029 52.8959 44.8566 174.8452 48 F 5.2471 8.9939 125.5751 56.4993 42.1239 173.8136 49 N 5.4122 8.8138 126.0743 51.6513 38.4921 175.3150 50 S 3.7476 8.3217 123.7405 61.7064 63.1392 177.5980 51 S 4.2775 8.0665 114.7404 60.6595 62.6339 175.1328 52 R 4.4324 7.6881 116.2800 54.8701 31.9573 175.9048 53 R 3.9597 7.5393 115.5993 57.2462 28.2271 175.8123 54 S 5.2266 7.1517 113.3100 56.7896 68.0233 175.1144 55 L 4.6971 8.7721 124.5829 54.3418 42.8676 176.0741 56 V 4.2295 8.5927 124.6546 62.3099 32.4867 174.9537 57 L 4.9276 9.2454 127.4017 53.2107 46.8643 174.9333 58 V 4.8110 8.7188 118.5573 61.5402 34.8894 174.4733 59 K 5.1315 8.8134 127.5914 55.4785 34.1127 175.6939 60 Q 4.8677 8.7367 121.0557 55.4163 32.7862 172.7204 61 F 5.0422 8.6897 122.0397 56.2752 40.4384 174.9803 62 R 4.5184 7.9429 125.9314 54.0185 31.4856 174.9552 63 P 4.3504 0.0000 0.0000 65.8184 31.3644 177.9918 64 A 3.9914 8.1225 118.7489 55.5011 18.2761 179.6358 65 V 3.4444 7.6399 115.7555 66.3418 31.6237 177.3590 66 Y 4.0037 7.7375 118.9892 60.4156 38.4704 177.7448 67 A 3.9810 8.4542 122.2486 55.3344 18.5933 179.3598 68 G 3.6362 7.9119 103.8971 48.2894 0.0000 175.3467 69 E 3.8965 7.7498 120.4912 58.8727 29.6906 179.6557 70 V 3.5501 7.1316 116.6429 65.7621 31.5836 177.2857 71 E 4.0465 8.0297 117.7605 59.1513 29.3990 178.6241 72 R 4.3524 7.5060 114.5771 56.6131 32.8614 176.6262 *97 A 4.1450 7.6177 120.4524 52.5593 18.9975 175.7149 98 G 3.7558 8.2481 114.5422 46.3295 0.0000 172.0791 99 V 4.6750 7.6218 117.0654 59.8966 34.2581 175.8904 100 T 4.7161 8.9363 117.1860 59.7210 71.1401 174.0918 101 V 4.4126 8.7249 127.0869 62.8781 32.6863 174.6634 102 E 5.1060 9.9123 127.4168 54.2225 34.2926 174.9534 103 L 4.3490 8.6301 121.8117 54.6235 42.8286 176.4685 104 C 4.0327 8.7498 121.9010 60.3623 32.2503 172.7966 105 A 5.0399 9.1126 128.1197 50.7839 22.4807 174.8198 106 G 4.0939 7.9509 108.5820 45.4222 0.0000 173.1133 107 L 4.3489 8.2928 120.0953 54.3198 42.2792 178.0350 108 V 4.0739 8.6502 122.9976 61.7337 30.2415 174.6582 109 D 4.7790 8.3490 125.6000 53.8396 41.3139 176.7330 110 Q 4.1512 7.6747 121.2566 54.4068 28.7029 173.7613 111 P 4.3273 0.0000 0.0000 63.8297 31.9623 176.6580 112 G 3.8880 9.0365 108.5954 45.7766 0.0000 172.9525 113 L 4.7117 7.6026 118.4731 52.0135 44.6578 176.9002 114 S 4.3152 8.5251 118.2008 57.9419 63.9900 174.9052 115 L 3.9822 8.8187 122.3579 58.5227 41.3384 179.6225 116 E 3.3681 8.1874 117.5027 59.4870 29.3649 179.2373 117 E 3.8978 8.1522 118.3702 59.4232 29.6261 179.6354 118 V 3.6207 7.7614 117.5881 65.7353 31.6514 177.7359 119 A 4.0385 8.1367 120.6852 55.4015 18.2240 179.3663 120 C 4.1123 7.9633 115.1888 62.6978 28.1433 176.0699 121 K 3.9706 8.1030 121.1326 59.9247 31.8501 178.7407 122 E 4.0256 8.2791 118.1700 59.1681 29.4086 178.8623 123 A 4.0778 8.5784 121.3657 55.1139 18.3084 179.5035 124 W 4.6393 8.2870 127.5562 59.8969 30.8262 178.3342 125 E 3.7730 8.7150 117.3096 59.3136 29.0062 178.3580 126 E 4.1558 8.4304 117.2385 58.9025 29.8810 177.5511 127 C 4.4553 8.0476 113.0092 58.8969 29.5833 173.7092 128 G 3.3411 7.8611 108.2098 46.8559 0.0000 172.4354 129 Y 5.1798 8.0908 116.5536 55.9693 41.1482 174.9624 130 H 4.8480 9.2358 124.7387 55.6966 30.5313 174.3084 131 L 4.9031 8.4943 124.2095 52.7965 45.8114 175.4452 132 A 4.6270 9.3286 123.8293 49.5965 21.3005 176.1222 133 P 4.1682 0.0000 0.0000 65.7613 31.5597 178.8289 134 S 4.2198 7.8758 110.9362 60.7938 63.3341 175.0750 135 D 4.4131 8.2894 121.3662 57.0067 40.6828 177.1669 136 L 4.1914 7.5048 119.1946 54.5398 41.8840 176.0093 137 R 4.7175 9.0099 125.1262 54.5165 31.8904 175.3230 138 R 4.2799 8.9757 127.3743 56.8322 30.2756 175.7301 139 V 3.9758 8.4820 126.0771 64.1194 33.1735 175.7889 140 A 4.4329 6.9635 117.6382 51.4757 21.9314 175.1465 141 T 4.7496 8.2902 115.0024 60.6563 70.7055 172.1253 142 Y 4.7851 7.7701 123.3552 56.5851 41.9236 172.3937 143 W 4.9706 9.0956 119.3055 55.1083 31.4727 176.3239 144 S 4.3821 10.3044 118.8994 60.6719 63.8723 172.2824 145 G 3.5760 10.7757 119.2375 45.4113 0.0000 173.0258 146 V 3.2215 7.5098 113.7545 61.6504 28.4307 172.8056 *149 T 4.3624 7.7115 109.5232 60.5377 71.0006 174.9526 150 G 4.3865 8.0235 108.9857 43.4301 0.0000 171.5638 151 S 4.8362 9.1537 113.8658 56.0073 66.9010 173.2765 152 R 3.4788 7.7798 121.6418 55.9523 31.1074 174.8323 153 Q 4.9643 8.6412 126.4262 53.3704 32.9464 173.5368 154 T 4.5005 8.0571 121.4336 61.7069 71.9866 172.3110 155 M 5.1384 8.7555 125.5913 53.0358 34.8359 174.5559 156 F 5.5280 9.0858 123.3759 55.8824 43.4348 173.3982 157 Y 5.5333 9.8997 122.3149 56.5120 42.2796 174.0947 158 T 4.3544 8.0607 118.5890 60.5168 71.4667 171.7292 159 E 4.9023 8.3240 128.1122 55.4296 31.0173 175.4570 160 V 5.3303 9.3634 118.7322 59.2778 36.8707 174.0022 161 T 5.0757 8.4150 111.5205 59.6867 72.0244 174.7423 162 D 4.2909 8.5954 121.1796 57.1076 41.0172 178.8970 163 A 4.0427 8.1799 121.2018 55.2840 18.5093 177.9912 164 Q 4.4043 8.4036 112.7222 56.2177 29.2511 174.9738 165 R 3.9528 7.8830 119.8628 55.0099 31.4545 173.7944 166 S 4.4473 8.3746 120.6299 58.6222 62.2765 177.2466 *176 G 3.9216 9.1173 99.1646 45.4214 0.0000 172.2464 177 E 4.1202 8.7793 119.7178 55.9289 30.2743 176.5167 178 L 4.4488 8.2527 122.3971 53.7124 42.1109 175.4068 179 I 4.7604 8.1056 126.4751 59.3491 40.4013 174.5692 180 E 4.6241 8.6309 127.7097 54.1625 31.4952 175.5472 181 V 4.1677 8.3955 126.6580 63.2076 32.8032 175.1625 182 V 4.4942 8.8477 124.8149 61.6084 35.2762 173.4034 183 H 5.0662 8.9576 124.4503 54.0933 30.8107 173.2960 184 L 4.4290 8.5241 127.1041 52.3764 42.9705 174.3164 185 P 5.2464 0.0000 0.0000 62.0125 32.3430 177.5816 186 L 4.2359 8.7565 121.5062 58.0727 42.0230 179.2258 187 E 3.9435 8.4405 117.1682 59.2911 29.5399 179.0153 188 G 4.1463 7.5987 106.1381 45.2942 0.0000 175.3755 189 A 4.0156 8.1738 124.3316 54.9839 17.9165 180.3571 190 Q 3.9447 8.1324 117.4558 59.3346 29.0878 178.1520 191 A 4.0968 8.0393 121.3589 54.7506 18.2498 179.2608 192 F 4.0483 8.2070 118.6556 61.4906 39.6084 177.0420 193 A 4.0715 8.3231 119.4277 54.8259 18.1692 178.6350 194 D 4.7347 7.5090 115.6301 55.5197 41.9795 176.4050 195 D 4.3807 7.6368 118.6597 53.8203 40.9108 174.6193 196 P 4.4621 0.0000 0.0000 63.8058 31.8445 177.5748 197 D 4.3360 8.3277 119.2980 56.3291 40.8693 176.0945 198 I 4.2902 7.1541 119.8144 58.4117 38.1345 173.6525 199 P 4.3703 0.0000 0.0000 63.0313 32.0313 175.8861 200 K 5.6002 8.6411 122.1484 54.0991 36.7540 175.7431 201 T 4.3761 8.3534 111.5626 60.6367 70.6472 175.3475 202 L 4.0377 8.8407 124.4946 58.5682 41.8720 179.5452 203 G 3.8071 8.1507 104.9149 47.8470 0.0000 175.3426 204 V 3.6789 7.5669 120.8152 65.8844 31.5389 178.0420 205 I 3.7555 7.7335 119.1432 64.3771 36.9255 178.1255 206 F 4.4258 9.2120 122.5865 61.4543 39.1946 177.0283 207 G 3.6352 8.7317 105.6330 48.1901 0.0000 175.6698 208 V 3.6731 8.0752 120.5408 65.5858 31.0799 178.1603 209 S 4.1281 8.2289 113.2083 61.0008 62.1882 175.9529 210 W 3.9337 8.7217 131.8805 60.0168 30.2650 177.8320 211 F 3.3788 8.5633 121.0154 61.1973 38.7176 177.2363 212 L 3.7660 7.6574 116.3505 56.6011 41.4093 178.5325 213 S 4.4056 7.2157 112.0182 58.6894 64.2271 175.3193 214 Q 4.1068 7.3915 119.4855 55.3981 29.7286 176.7521 215 V 3.6808 6.8082 118.2160 63.7982 33.1803 177.3597 216 A 3.5622 6.6738 121.1215 54.3462 18.3444 177.1317 217 P 4.3771 0.0000 0.0000 64.3534 31.6270 176.5593 218 N 4.5250 7.2986 114.5240 53.7496 38.9065 175.9213 219 L 4.2140 7.2821 118.5930 54.9960 39.7246 176.8451 220 D 4.5056 8.2956 121.6030 53.3222 39.5987 176.9946 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 40 H 8.44 4.79 0.00 3.08 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.42 4.54 0.00 2.67 2.43 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 42 S 9.56 5.14 0.00 3.81 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 43 V 8.57 5.07 2.26 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 0.84 0.00 0.00 1.05 0.00 0.00 44 T 8.85 5.32 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 1.27 0.00 0.00 45 V 9.03 4.86 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 0.73 0.00 0.00 1.03 0.00 0.00 46 L 9.13 4.71 0.00 1.84 1.76 0.93 0.56 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 47 L 8.48 5.21 0.00 1.40 1.25 0.86 0.52 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 48 F 8.99 5.25 0.00 2.98 3.23 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 49 N 8.81 5.41 0.00 2.65 2.64 0.00 0.00 7.04 7.17 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 50 S 8.32 3.75 0.00 3.83 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 51 S 8.07 4.28 0.00 4.05 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 52 R 7.69 4.43 0.00 1.75 1.86 0.00 3.39 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 53 R 7.54 3.96 0.00 2.09 2.14 0.00 3.16 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 54 S 7.15 5.23 0.00 3.74 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 55 L 8.77 4.70 0.00 1.48 1.46 0.70 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.59 4.23 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 0.57 0.00 0.00 0.57 0.00 0.00 57 L 9.25 4.93 0.00 1.45 1.51 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.72 4.81 2.22 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 0.99 0.00 0.00 0.94 0.00 0.00 59 K 8.81 5.13 0.00 1.80 1.74 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.42 7.81 60 Q 8.74 4.87 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 61 F 8.69 5.04 0.00 3.05 2.95 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 62 R 7.94 4.52 0.00 1.74 1.77 0.00 3.38 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 63 P 0.00 4.35 0.00 2.23 2.29 0.00 3.69 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 64 A 8.12 3.99 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 65 V 7.64 3.44 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 0.95 0.00 0.00 0.87 0.00 0.00 66 Y 7.74 4.00 0.00 2.60 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 67 A 8.45 3.98 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 68 G 7.91 3.64 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 0.00 0.00 0.00 69 E 7.75 3.90 0.00 1.83 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 2.46 2.44 0.00 70 V 7.13 3.55 1.65 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 0.69 0.00 0.00 0.35 0.00 0.00 71 E 8.03 4.05 0.00 2.14 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 0.00 2.32 2.50 0.00 72 R 7.51 4.35 0.00 1.73 1.92 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 *97 A 7.62 4.15 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 98 G 8.25 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 99 V 7.62 4.67 2.22 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 0.87 0.00 0.00 1.04 0.00 0.00 100 T 8.94 4.72 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 1.18 0.00 0.00 101 V 8.72 4.41 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 1.10 0.00 0.00 1.13 0.00 0.00 102 E 9.91 5.11 0.00 1.84 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 2.25 2.53 0.00 103 L 8.63 4.35 0.00 1.59 1.65 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.75 4.03 0.00 3.01 3.08 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 0.00 105 A 9.11 5.04 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 0.00 106 G 7.95 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 0.00 0.00 0.00 0.00 107 L 8.29 4.35 0.00 1.62 1.58 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.65 4.07 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 0.79 0.00 0.00 0.92 0.00 0.00 109 D 8.35 4.78 0.00 2.83 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 0.00 110 Q 7.67 4.15 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 111 P 0.00 4.33 0.00 2.08 1.97 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 112 G 9.04 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 0.00 0.00 0.00 113 L 7.60 4.71 0.00 1.59 1.55 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.53 4.32 0.00 4.14 3.99 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 0.00 115 L 8.82 3.98 0.00 1.97 2.05 0.92 0.90 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 0.00 116 E 8.19 3.37 0.00 1.89 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 2.28 1.67 0.00 117 E 8.15 3.90 0.00 2.07 1.97 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 2.28 2.51 0.00 118 V 7.76 3.62 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 1.13 0.00 0.00 0.94 0.00 0.00 119 A 8.14 4.04 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 0.00 120 C 7.96 4.11 0.00 3.14 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 0.00 121 K 8.10 3.97 0.00 1.87 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.57 7.81 122 E 8.28 4.03 0.00 2.10 2.02 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 2.57 2.50 0.00 123 A 8.58 4.08 1.46 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 0.00 0.00 0.00 124 W 8.29 4.64 0.00 3.46 3.39 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 0.00 125 E 8.72 3.77 0.00 1.97 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 2.46 2.70 0.00 126 E 8.43 4.16 0.00 2.04 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 2.33 2.39 0.00 127 C 8.05 4.46 0.00 3.33 3.18 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 0.00 128 G 7.86 3.34 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 0.00 129 Y 8.09 5.18 0.00 3.08 2.93 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 0.00 0.00 0.00 130 H 9.24 4.85 0.00 3.11 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.49 4.90 0.00 1.46 1.44 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 132 A 9.33 4.63 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 0.00 133 P 0.00 4.17 0.00 2.10 2.03 0.00 3.53 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 2.06 2.02 0.00 134 S 7.88 4.22 0.00 3.95 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 0.00 135 D 8.29 4.41 0.00 2.65 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 0.00 136 L 7.50 4.19 0.00 1.41 1.32 0.42 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.01 4.72 0.00 2.03 2.19 0.00 3.36 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 138 R 8.98 4.28 0.00 2.00 1.86 0.00 3.04 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.28 0.00 139 V 8.48 3.98 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 -0.20 0.00 0.00 0.14 0.00 0.00 140 A 6.96 4.43 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 0.00 141 T 8.29 4.75 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 1.14 0.00 0.00 142 Y 7.77 4.79 0.00 3.06 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 0.00 143 W 9.10 4.97 0.00 3.18 3.24 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 0.00 144 S 10.30 4.38 0.00 3.99 3.85 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 0.00 145 G 10.78 3.58 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 0.00 146 V 7.51 3.22 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 0.76 0.00 0.00 0.95 0.00 0.00 *149 T 7.71 4.36 4.27 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 1.23 0.00 0.00 150 G 8.02 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 0.00 151 S 9.15 4.84 0.00 3.82 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 0.00 152 R 7.78 3.48 0.00 0.67 1.32 0.00 2.33 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.00 153 Q 8.64 4.96 0.00 1.79 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 154 T 8.06 4.50 3.91 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 0.00 0.00 0.46 0.00 0.00 155 M 8.76 5.14 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.24 0.00 156 F 9.09 5.53 0.00 2.99 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 0.00 157 Y 9.90 5.53 0.00 2.87 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 0.00 158 T 8.06 4.35 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 1.07 0.00 0.00 159 E 8.32 4.90 0.00 2.17 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 2.28 2.43 0.00 160 V 9.36 5.33 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 0.79 0.00 0.00 0.83 0.00 0.00 161 T 8.42 5.08 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 1.20 0.00 0.00 162 D 8.60 4.29 0.00 2.68 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 0.00 163 A 8.18 4.04 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 0.00 164 Q 8.40 4.40 0.00 2.42 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 165 R 7.88 3.95 0.00 1.50 1.66 0.00 3.17 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 166 S 8.37 4.45 0.00 3.98 2.91 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 0.00 0.00 0.00 *176 G 9.12 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 0.00 177 E 8.78 4.12 0.00 2.10 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 0.00 2.28 2.30 0.00 178 L 8.25 4.45 0.00 1.57 1.63 0.90 0.92 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 0.00 179 I 8.11 4.76 1.86 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 1.24 0.69 0.95 0.00 0.00 180 E 8.63 4.62 0.00 2.12 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 2.22 2.27 0.00 181 V 8.40 4.17 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 1.00 0.00 0.00 182 V 8.85 4.49 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 0.94 0.00 0.00 183 H 8.96 5.07 0.00 3.01 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.52 4.43 0.00 1.38 1.31 0.47 0.40 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 0.00 185 P 0.00 5.25 0.00 2.23 1.99 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 186 L 8.76 4.24 0.00 1.78 1.78 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 187 E 8.44 3.94 0.00 1.98 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 2.36 2.39 0.00 188 G 7.60 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 0.00 189 A 8.17 4.02 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 0.00 190 Q 8.13 3.94 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 191 A 8.04 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 F 8.21 4.05 0.00 3.15 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 0.00 193 A 8.32 4.07 1.46 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 0.00 0.00 0.00 194 D 7.51 4.73 0.00 2.67 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 0.00 195 D 7.64 4.38 0.00 2.74 2.44 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 0.00 196 P 0.00 4.46 0.00 2.18 2.10 0.00 3.78 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 1.95 1.95 0.00 197 D 8.33 4.34 0.00 2.80 2.76 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 0.00 198 I 7.15 4.29 1.60 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 1.30 0.50 0.97 0.00 0.00 199 P 0.00 4.37 0.00 2.22 1.96 0.00 3.53 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 200 K 8.64 5.60 0.00 1.55 1.69 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.40 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.13 1.33 7.81 201 T 8.35 4.38 4.28 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 1.24 0.00 0.00 202 L 8.84 4.04 0.00 1.76 1.71 0.91 0.94 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 0.00 203 G 8.15 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 0.00 0.00 0.00 204 V 7.57 3.68 2.33 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 1.25 0.00 0.00 1.06 0.00 0.00 205 I 7.73 3.76 2.08 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 1.43 0.47 0.97 0.00 0.00 206 F 9.21 4.43 0.00 2.95 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 0.00 207 G 8.73 3.64 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 0.00 0.00 0.00 208 V 8.08 3.67 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 1.11 0.00 0.00 1.10 0.00 0.00 209 S 8.23 4.13 0.00 4.11 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 0.00 210 W 8.72 3.93 0.00 2.58 2.65 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 0.00 211 F 8.56 3.38 0.00 3.18 2.94 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 0.00 212 L 7.66 3.77 0.00 1.63 1.62 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 213 S 7.22 4.41 0.00 3.89 3.91 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 0.00 0.00 0.00 214 Q 7.39 4.11 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 215 V 6.81 3.68 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 0.00 0.00 0.76 0.00 0.00 -0.19 0.00 0.00 216 A 6.67 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 P 0.00 4.38 0.00 2.07 2.05 0.00 3.28 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 218 N 7.30 4.53 0.00 2.65 2.83 0.00 0.00 6.97 7.73 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 0.00 219 L 7.28 4.21 0.00 1.69 1.69 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 220 D 8.30 4.51 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.