NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 E 4.2908 8.4444 121.4782 55.8675 31.7426 176.7391 0 F 4.1374 8.4194 120.2835 60.3266 39.7231 173.0451 1 M 4.8570 8.6518 120.3831 54.1398 36.7930 172.2211 2 I 4.7956 9.1831 126.6262 59.5347 40.3841 174.3610 3 I 4.6063 8.5805 127.9152 59.7828 39.6369 174.0667 4 Y 4.7138 8.8230 124.8773 56.3396 39.6700 175.1600 5 R 5.0744 8.7446 123.0345 53.8699 34.6258 174.6571 6 D 4.7196 9.2100 121.8888 54.2922 41.4085 176.6337 7 L 4.3053 9.0033 129.8949 58.4030 42.1919 178.4906 8 I 4.0354 8.5718 119.2993 63.5313 37.5156 177.1861 9 S 4.3219 8.2174 111.6990 58.6160 63.5789 174.6809 10 H 4.3315 8.6533 116.8606 56.0174 27.1051 174.6017 11 D 4.6731 7.8315 120.3307 53.8929 41.9020 175.5156 12 E 4.2760 8.8964 123.6013 57.2121 29.8874 175.5125 13 M 4.7808 8.8302 126.4667 56.4779 34.1740 175.5601 14 F 4.2879 6.9850 110.8825 56.4071 41.2011 171.8204 15 S 5.1878 8.5793 112.7333 56.2924 66.8272 173.2388 16 D 5.0781 8.6773 116.7750 54.1310 39.4022 177.8546 17 I 3.7889 7.1021 119.3390 62.8824 37.0924 175.2926 18 Y 4.8365 6.9288 118.0536 55.3547 41.3049 174.8496 19 K 4.3830 8.4793 120.8947 56.7311 33.3081 176.2200 20 I 5.0846 8.3813 124.4939 59.5575 40.4757 175.0086 21 R 4.6973 9.0566 125.0259 54.2975 34.1521 173.9946 22 E 4.9198 8.7410 124.0404 55.0923 31.4972 174.7403 23 I 4.7269 8.3664 119.9581 58.5720 41.8638 174.4382 24 A 3.5360 8.8035 120.6280 54.4828 15.6129 176.7249 25 D 4.4475 9.1868 112.4422 55.8840 38.9251 175.6844 26 G 4.4786 8.5279 104.2240 45.2937 0.0000 174.8349 27 L 4.3054 8.1510 123.3102 57.0722 42.5828 176.1059 28 C 5.4568 8.1225 114.3485 57.7537 32.8048 173.0753 29 L 5.0537 8.8174 120.3782 53.0058 44.3557 175.1541 30 E 4.8330 9.5026 125.4977 54.5080 31.7675 174.4458 31 V 4.4869 8.8953 128.1008 61.0814 33.5052 174.1235 32 E 3.6572 8.8214 130.4403 55.6536 29.8577 176.1517 33 G 3.8544 7.8622 116.3673 45.2892 0.0000 171.8268 34 K 4.6592 8.5585 118.7737 55.2057 36.0844 175.4180 35 M 4.7402 8.5920 126.1935 55.3281 32.8104 175.9114 36 V 4.6058 9.2082 123.3903 61.1132 35.2990 174.7224 37 S 5.0511 8.6387 121.0909 56.5013 65.4874 174.2733 *67 I 3.9117 7.7751 113.7603 61.0012 37.3039 173.0545 68 T 4.7084 7.9508 121.7155 61.5426 69.3461 173.3497 69 G 4.1716 8.9193 114.7359 45.3667 0.0000 170.6018 70 V 4.4609 8.3217 119.9182 62.0872 32.3755 177.1288 71 D 4.3798 9.0458 129.2311 56.9229 39.1416 178.9463 72 I 3.6137 7.3864 122.2118 63.1132 37.0843 178.3104 73 V 3.4373 7.4356 118.2343 66.3753 30.9297 177.8589 74 M 4.1025 8.1859 118.4927 58.4890 31.5697 178.5691 75 N 4.3952 8.7107 116.0121 55.6295 38.6874 175.7098 76 H 4.7838 7.7541 114.4035 54.9664 29.6566 173.7961 77 H 4.1626 7.6101 114.5661 56.8464 26.6971 174.7742 78 L 4.7280 7.9650 117.3332 54.9412 42.8040 177.3348 79 Q 4.8299 9.0885 120.9563 54.0200 31.4124 174.9185 80 E 3.6919 8.8453 125.0445 56.3698 30.6263 175.2766 81 T 4.7663 8.5515 120.0489 60.7895 71.0135 172.3303 82 S 4.7225 7.9674 114.5132 57.2215 65.9086 172.9180 83 F 4.7487 8.0691 118.4198 55.3523 42.9259 174.9517 84 T 4.5876 8.3536 113.3644 60.5247 71.6364 175.6253 85 K 2.8760 8.5224 122.9841 59.8659 32.0498 178.9111 86 E 3.9782 8.1039 117.8286 59.1424 29.3473 179.0637 87 A 4.0851 8.2216 121.1217 55.2609 18.4063 179.0596 88 Y 3.5866 8.3902 118.2518 60.4274 38.7272 177.7752 89 K 3.7361 8.1051 120.6378 59.7352 32.1534 178.5127 90 K 3.8934 8.0043 119.5256 59.4554 32.0642 178.1467 91 Y 3.9851 8.1201 120.1922 60.7367 38.7761 178.0686 92 I 3.0964 7.3058 114.1296 63.1314 37.5660 177.9575 93 K 3.8277 7.3978 121.7735 59.4808 31.8295 178.1961 94 D 4.2179 7.4030 116.4643 57.3563 40.9196 177.1678 95 Y 3.9680 8.0154 120.1910 61.1295 38.7694 178.0826 96 M 4.0375 8.5796 120.1227 58.3656 31.8695 178.9757 97 K 4.0900 7.8591 118.0155 59.1066 31.9857 179.6415 98 S 4.0361 7.8653 115.9577 61.5207 62.6667 176.6611 99 I 3.4036 7.1478 122.0378 63.8527 36.6704 178.1510 100 K 3.8209 7.9039 120.8224 59.3765 31.6477 178.9578 101 G 3.6849 7.7283 106.0428 47.6707 0.0000 175.8042 102 K 3.9539 7.5367 120.7255 59.2260 32.0999 179.4740 103 L 3.9253 7.8981 119.3282 57.6642 41.3393 179.3392 104 E 3.9330 8.3797 119.0347 59.3408 29.2913 178.9126 105 E 4.2015 7.7099 114.4699 57.7069 30.1180 177.5032 106 Q 4.5394 7.8459 117.6447 56.5471 32.3056 176.4814 107 R 4.7061 8.3550 117.9617 52.5534 31.7488 173.4941 108 P 4.2936 0.0000 0.0000 66.2054 31.2293 177.8750 109 E 4.1574 8.1049 114.3265 57.8336 29.7889 177.7450 110 R 4.2985 8.3126 120.0505 57.4921 30.3562 177.6794 111 V 3.6480 7.6546 118.5564 66.3708 31.4178 177.6840 112 K 3.9505 8.0204 118.5066 59.0850 32.1735 176.8467 113 P 4.3581 0.0000 0.0000 65.7345 31.0982 178.0392 114 F 4.1826 8.5869 120.5664 61.5896 39.4328 177.0930 115 M 3.8250 8.4062 118.4497 58.4202 31.5770 178.9978 116 T 3.9155 8.3996 116.4547 66.6505 68.6428 177.0146 117 G 3.5676 8.2965 107.5961 47.5781 0.0000 175.4551 118 A 3.9136 8.2200 123.3085 54.7986 18.1995 179.3400 119 A 3.8648 7.8103 119.1794 55.4158 18.5603 179.5427 120 E 3.8856 7.9138 117.3852 59.4993 29.7986 178.6599 121 Q 4.0569 8.4715 120.0272 59.3388 29.0172 178.2327 122 I 3.8905 8.3924 121.1245 64.5172 37.1765 178.4645 123 K 3.9937 7.8885 119.3103 59.6777 31.8786 178.9073 124 H 4.2306 8.1560 118.0386 59.3269 29.6346 177.1982 125 I 3.9000 8.1447 120.5987 64.6943 37.1870 178.0535 126 L 4.3036 8.4248 119.5807 57.9060 41.2395 179.5401 127 A 4.1439 8.1823 119.6580 54.0586 18.5047 177.6454 128 N 4.7250 7.7862 114.2902 53.2977 39.7524 175.8152 129 F 4.1518 8.1509 121.2122 61.4474 39.3004 177.7774 130 K 4.1943 8.1119 116.5412 58.3249 31.8894 177.3192 131 N 4.4484 7.7030 115.3476 53.7662 38.9063 174.3748 132 Y 4.9658 6.9514 115.7893 56.3661 40.2542 175.1000 133 Q 4.5750 8.5221 119.9847 54.0962 32.7068 174.5045 134 F 5.2401 8.4028 119.5848 55.7987 42.2256 174.4629 135 F 5.4016 9.2160 121.1695 55.6941 43.0916 173.9461 136 I 5.1694 8.9201 115.5889 58.4794 41.4830 175.1259 137 G 4.1519 8.7364 110.8471 45.2860 0.0000 173.9341 138 E 4.1113 8.9338 120.3226 58.5645 29.4335 177.9871 139 N 4.5768 8.6578 113.2551 53.5746 38.9373 174.6236 140 M 3.1852 8.1608 117.4509 55.8779 30.4409 176.8288 141 N 4.4510 8.1499 116.9677 52.8555 39.4609 173.4828 142 P 4.4478 0.0000 0.0000 65.5290 31.3573 176.7386 143 D 4.7592 8.8481 117.6640 54.7664 41.1389 176.5861 144 G 4.0415 8.1628 109.3755 44.8430 0.0000 173.0502 145 M 3.6938 9.5745 119.6643 55.1038 32.6759 175.5782 146 V 4.6526 8.0611 123.5211 61.0518 33.6766 174.8781 147 A 4.1933 9.1447 130.9714 51.5903 20.0034 175.6874 148 L 4.6893 7.9175 120.5795 52.7036 44.2135 175.2417 149 L 5.1047 8.5380 126.2916 53.2014 44.5104 174.7685 150 D 5.1269 8.8195 124.5390 51.9064 43.3401 173.6861 151 Y 4.7877 8.6568 118.1646 57.3238 39.3612 174.9162 152 R 4.6337 9.1202 123.1152 54.3782 34.7670 174.3033 153 E 3.7645 9.0111 114.6980 58.6637 26.2660 174.2618 154 D 4.0680 8.7461 110.9109 55.3653 40.1805 174.0742 155 G 3.9685 8.4404 102.6540 45.7459 0.0000 175.3209 156 V 3.8369 7.7877 120.3329 64.6639 32.0989 176.2060 157 T 4.6642 8.2678 117.7242 60.9135 70.7382 172.1245 158 P 4.3049 0.0000 0.0000 62.2828 33.0526 174.5905 159 Y 4.8176 8.7700 121.7790 56.1880 41.3244 174.4706 160 M 5.1173 8.8707 122.8802 53.2820 35.6090 174.5421 161 I 4.8388 8.1370 116.8071 59.0893 40.4599 174.6005 162 F 5.0688 8.9536 122.8737 55.5455 43.6847 174.3155 163 F 4.7352 9.0597 120.1361 56.5814 39.7109 176.4837 164 K 4.0606 9.2179 128.3003 59.8411 32.0478 178.4116 165 D 4.5658 8.5209 115.9932 56.3060 41.0146 176.7881 166 G 4.3913 8.3899 106.3590 45.1015 0.0000 173.1379 167 L 5.5986 8.0138 119.0196 52.6926 44.9721 175.8282 168 E 4.7924 9.1277 120.0852 54.9414 33.3397 174.7702 169 M 4.5977 8.5186 122.3450 53.5592 34.4798 175.0200 170 E 4.5136 8.6976 123.7519 54.0871 32.3483 175.2503 171 K 4.2398 8.6170 126.6882 57.2428 33.2572 176.9008 172 C 4.1080 8.8008 123.1366 59.9918 33.0217 172.7746 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 E 8.44 4.29 0.00 1.97 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 0.00 2.21 2.32 0.00 0 F 8.42 4.14 0.00 3.05 3.10 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 1 M 8.65 4.86 0.00 2.29 1.54 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 2 I 9.18 4.80 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.21 0.00 0.00 3 I 8.58 4.61 1.77 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 1.17 0.97 0.87 0.00 0.00 4 Y 8.82 4.71 0.00 1.47 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 0.00 0.00 0.00 0.00 5 R 8.74 5.07 0.00 1.72 1.94 0.00 3.24 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 1.51 1.48 0.00 6 D 9.21 4.72 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 7 L 9.00 4.31 0.00 1.74 1.84 0.96 1.34 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 8 I 8.57 4.04 2.14 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 1.34 0.69 0.97 0.00 0.00 9 S 8.22 4.32 0.00 4.04 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 10 H 8.65 4.33 0.00 3.35 3.53 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.83 4.67 0.00 2.75 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 12 E 8.90 4.28 0.00 2.04 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 2.40 2.38 0.00 13 M 8.83 4.78 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.97 0.00 14 F 6.99 4.29 0.00 2.97 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 15 S 8.58 5.19 0.00 3.95 4.03 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 0.00 0.00 0.00 16 D 8.68 5.08 0.00 3.02 3.16 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 0.00 0.00 0.00 0.00 17 I 7.10 3.79 1.19 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.17 0.59 0.00 0.00 18 Y 6.93 4.84 0.00 2.79 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 19 K 8.48 4.38 0.00 1.73 1.76 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.49 7.81 20 I 8.38 5.08 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.96 0.86 0.00 0.00 21 R 9.06 4.70 0.00 1.70 1.77 0.00 3.14 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 22 E 8.74 4.92 0.00 2.08 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 2.34 2.47 0.00 23 I 8.37 4.73 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 0.87 0.00 0.00 24 A 8.80 3.54 1.35 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 25 D 9.19 4.45 0.00 2.82 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 26 G 8.53 4.48 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 0.00 27 L 8.15 4.31 0.00 1.91 1.75 1.19 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.12 5.46 0.00 2.79 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 29 L 8.82 5.05 0.00 1.66 1.46 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.50 4.83 0.00 1.94 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 2.36 2.25 0.00 31 V 8.90 4.49 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 0.60 0.00 0.00 -0.14 0.00 0.00 32 E 8.82 3.66 0.00 1.89 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 1.85 1.47 0.00 33 G 7.86 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 0.00 0.00 0.00 34 K 8.56 4.66 0.00 1.76 1.58 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.39 7.81 35 M 8.59 4.74 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 36 V 9.21 4.61 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 1.08 0.00 0.00 0.99 0.00 0.00 37 S 8.64 5.05 0.00 4.00 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 *67 I 7.78 3.91 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 1.31 0.89 0.92 0.00 0.00 68 T 7.95 4.71 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 1.22 0.00 0.00 69 G 8.92 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 0.00 0.00 0.00 0.00 70 V 8.32 4.46 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 0.79 0.00 0.00 0.86 0.00 0.00 71 D 9.05 4.38 0.00 3.00 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 72 I 7.39 3.61 1.53 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.86 0.75 0.00 0.00 73 V 7.44 3.44 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 1.12 0.00 0.00 0.01 0.00 0.00 74 M 8.19 4.10 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 75 N 8.71 4.40 0.00 2.75 2.72 0.00 0.00 6.92 8.25 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 76 H 7.75 4.78 0.00 3.23 3.40 0.00 6.00 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.61 4.16 0.00 3.45 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.97 4.73 0.00 1.67 1.84 1.06 0.82 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 79 Q 9.09 4.83 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 80 E 8.85 3.69 0.00 1.55 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 0.00 81 T 8.55 4.77 4.12 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 1.27 0.00 0.00 82 S 7.97 4.72 0.00 3.93 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 83 F 8.07 4.75 0.00 2.69 2.98 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 84 T 8.35 4.59 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 1.25 0.00 0.00 85 K 8.52 2.88 0.00 1.58 1.63 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.93 0.21 7.81 86 E 8.10 3.98 0.00 2.02 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 2.37 2.31 0.00 87 A 8.22 4.09 1.53 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 0.00 0.00 88 Y 8.39 3.59 0.00 2.95 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 89 K 8.11 3.74 0.00 2.07 1.85 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 90 K 8.00 3.89 0.00 1.89 1.99 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.45 7.81 91 Y 8.12 3.99 0.00 3.26 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 92 I 7.31 3.10 1.57 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.32 0.60 0.00 0.00 93 K 7.40 3.83 0.00 1.89 1.89 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.38 7.81 94 D 7.40 4.22 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 95 Y 8.02 3.97 0.00 2.31 2.48 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 96 M 8.58 4.04 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 97 K 7.86 4.09 0.00 2.00 1.80 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 98 S 7.87 4.04 0.00 3.74 3.75 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 99 I 7.15 3.40 1.53 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.34 0.08 0.00 0.00 100 K 7.90 3.82 0.00 2.04 1.94 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.70 7.81 101 G 7.73 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 0.00 0.00 0.00 102 K 7.54 3.95 0.00 1.80 1.77 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.53 7.81 103 L 7.90 3.93 0.00 1.82 1.63 0.73 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.38 3.93 0.00 2.12 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 2.57 0.00 105 E 7.71 4.20 0.00 2.10 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 2.50 2.46 0.00 106 Q 7.85 4.54 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.29 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 107 R 8.35 4.71 0.00 1.73 1.94 0.00 3.16 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 108 P 0.00 4.29 0.00 2.25 2.47 0.00 3.69 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 2.08 2.05 0.00 109 E 8.10 4.16 0.00 2.16 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 2.29 2.32 0.00 110 R 8.31 4.30 0.00 1.90 2.12 0.00 3.24 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 111 V 7.65 3.65 2.17 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 1.06 0.00 0.00 0.96 0.00 0.00 112 K 8.02 3.95 0.00 1.89 1.82 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 113 P 0.00 4.36 0.00 2.37 2.34 0.00 3.72 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 2.30 2.15 0.00 114 F 8.59 4.18 0.00 3.21 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 0.00 115 M 8.41 3.83 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.06 0.00 116 T 8.40 3.92 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 1.21 0.00 0.00 117 G 8.30 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.22 3.91 0.83 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 0.00 0.00 119 A 7.81 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.91 3.89 0.00 2.01 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 0.00 2.32 2.33 0.00 121 Q 8.47 4.06 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 122 I 8.39 3.89 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.71 0.97 0.00 0.00 123 K 7.89 3.99 0.00 1.95 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.75 7.81 124 H 8.16 4.23 0.00 3.33 3.57 0.00 5.80 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 0.00 125 I 8.14 3.90 2.25 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.12 0.95 0.00 0.00 126 L 8.42 4.30 0.00 1.90 1.75 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.18 4.14 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 0.00 128 N 7.79 4.72 0.00 2.67 2.61 0.00 0.00 6.66 7.74 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 0.00 129 F 8.15 4.15 0.00 3.35 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 0.00 130 K 8.11 4.19 0.00 1.79 1.86 0.00 2.02 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.48 7.81 131 N 7.70 4.45 0.00 2.38 2.46 0.00 0.00 6.85 7.05 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 0.00 132 Y 6.95 4.97 0.00 2.03 1.89 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 0.00 133 Q 8.52 4.57 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 134 F 8.40 5.24 0.00 3.17 3.03 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 0.00 0.00 0.00 135 F 9.22 5.40 0.00 2.96 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 0.00 136 I 8.92 5.17 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.13 1.03 0.00 0.00 137 G 8.74 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 0.00 138 E 8.93 4.11 0.00 2.17 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 2.35 2.38 0.00 139 N 8.66 4.58 0.00 3.12 2.89 0.00 0.00 7.17 7.19 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 0.00 140 M 8.16 3.19 0.00 2.12 2.14 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 2.79 2.49 0.00 141 N 8.15 4.45 0.00 2.78 2.79 0.00 0.00 6.80 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 0.00 142 P 0.00 4.45 0.00 2.28 2.20 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 143 D 8.85 4.76 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.16 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 0.00 145 M 9.57 3.69 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.65 0.00 146 V 8.06 4.65 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 1.16 0.00 0.00 0.71 0.00 0.00 147 A 9.14 4.19 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.69 0.00 1.02 0.65 0.42 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.54 5.10 0.00 1.60 1.57 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.82 5.13 0.00 2.60 2.77 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 0.00 151 Y 8.66 4.79 0.00 2.85 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 0.00 152 R 9.12 4.63 0.00 1.80 1.79 0.00 2.40 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 153 E 9.01 3.76 0.00 2.26 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 2.39 2.50 0.00 154 D 8.75 4.07 0.00 2.76 2.72 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 0.00 155 G 8.44 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 0.00 156 V 7.79 3.84 2.25 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 0.83 0.00 0.00 1.04 0.00 0.00 157 T 8.27 4.66 4.38 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 0.00 0.00 0.00 0.83 0.00 0.00 158 P 0.00 4.30 0.00 1.63 1.45 0.00 3.58 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 1.69 1.82 0.00 159 Y 8.77 4.82 0.00 2.97 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 0.00 160 M 8.87 5.12 0.00 1.36 1.70 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 161 I 8.14 4.84 1.61 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.34 0.78 0.00 0.00 162 F 8.95 5.07 0.00 3.00 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 0.00 163 F 9.06 4.74 0.00 3.51 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 0.00 164 K 9.22 4.06 0.00 1.92 2.05 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.57 7.81 165 D 8.52 4.57 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 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 0.00 167 L 8.01 5.60 0.00 1.94 1.72 1.22 0.98 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 0.00 168 E 9.13 4.79 0.00 1.85 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 2.23 2.28 0.00 169 M 8.52 4.60 0.00 1.54 1.79 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 2.38 1.78 0.00 170 E 8.70 4.51 0.00 1.88 1.75 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 2.13 2.20 0.00 171 K 8.62 4.24 0.00 1.65 1.70 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.37 7.81 172 C 8.80 4.11 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.