NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9443 8.0544 114.0615 61.9180 32.6026 173.4989 8 D 4.1366 8.6177 127.0323 51.8885 38.3727 171.2733 9 P 4.4571 0.0000 0.0000 64.2426 32.7364 177.6187 10 R 4.4613 8.0466 116.8414 55.8505 30.2352 175.8833 11 A 4.5029 7.6137 121.2103 50.4240 19.9333 178.0144 12 K 4.0199 8.5005 120.9452 56.2187 32.7395 176.7410 13 W 4.5169 8.7803 135.0000 57.8890 31.2238 176.3511 14 Q 4.1743 7.0320 122.1044 53.8934 28.4460 172.3877 15 P 4.1100 0.0000 0.0000 62.9064 32.4349 175.9725 16 Q 4.7255 8.8015 117.3511 54.6472 31.8632 174.4128 17 D 5.4140 8.4183 115.3919 53.8482 41.2049 174.8885 18 N 4.9945 10.5410 113.5750 52.1752 39.3309 174.3537 19 D 4.3325 8.0840 119.7712 53.3169 42.2951 175.2314 20 I 2.8952 7.9929 120.7013 62.3758 37.8071 176.6301 21 Q 4.3708 8.1587 119.2993 55.5544 29.1542 174.9103 22 A 4.8386 7.4472 122.1526 50.4449 21.0132 177.6143 23 C 4.8075 8.9177 117.4647 58.6141 39.7122 173.9662 24 D 4.9535 7.9926 119.0645 53.0238 40.7320 175.1323 25 Y 4.7484 8.2855 122.1697 57.8176 39.1270 176.5675 26 W 4.6761 8.6278 124.9860 60.1430 27.8695 177.9228 27 R 3.4226 5.8400 117.3593 58.3697 29.9224 176.6471 28 H 5.0382 8.1397 114.9733 56.0799 28.6784 174.3445 29 C 3.0308 8.4209 117.7500 57.3859 42.1419 174.7065 30 S 4.9538 8.2198 112.8468 56.4733 63.2998 173.8990 31 I 3.2650 7.4770 118.7073 60.2976 39.0952 174.4323 32 D 4.7460 8.6561 127.3100 53.4876 43.8071 172.4399 33 G 4.2030 7.9705 115.3909 44.4085 0.0000 174.7906 34 N 5.4714 9.8353 122.4522 50.8993 42.4600 173.5062 35 I 4.1982 8.2097 122.9637 61.2920 37.9541 177.0447 36 C 4.3390 8.4630 121.6088 59.6460 40.2710 175.4531 37 D 4.1078 8.0645 117.9670 56.6791 40.8380 177.0876 38 C 4.7912 7.9392 115.1348 57.0094 40.2042 174.2310 39 S 4.5241 7.8550 113.8994 58.3748 62.5367 174.8404 40 G 4.0726 8.7948 109.0469 46.2155 0.0000 174.5331 41 G 4.4285 7.6067 111.9470 45.0069 0.0000 172.0559 42 S 4.6801 8.5366 116.8635 57.1199 66.2204 174.8082 43 L 4.2286 8.5727 120.9557 57.6876 41.8118 178.0137 44 T 4.6065 7.3854 104.9581 60.8045 70.0324 173.1475 45 N 5.0706 8.0677 119.7366 51.6651 41.8473 173.2785 46 C 4.8305 8.3365 117.5121 55.5103 37.5203 172.1053 47 P 4.7682 0.0000 0.0000 60.7050 31.7469 174.4543 48 P 4.1760 0.0000 0.0000 64.4130 31.6744 176.0563 49 G 4.1154 8.9754 110.0614 45.4371 0.0000 173.7163 50 T 4.4048 6.7353 109.0165 60.8041 70.7449 174.3336 51 K 4.6056 8.8807 121.1659 54.3379 35.1101 175.6353 52 L 4.5183 8.4694 127.0694 54.6615 43.1573 176.1262 53 A 4.8150 8.5447 128.5782 52.2069 19.1072 177.0382 54 T 4.3332 8.8979 108.9516 63.2248 70.8149 175.5799 55 A 4.6733 8.1429 124.7718 51.7586 20.3375 175.9797 56 S 4.8758 7.0672 114.9119 59.0971 66.2612 176.7390 *58 V 4.6352 8.6468 113.3670 61.6939 32.8163 174.0214 59 A 4.9594 8.1773 121.0700 51.1482 22.6691 175.3415 60 S 5.2267 8.8330 114.8980 57.0240 64.8669 174.0321 61 C 5.3255 9.2996 122.8301 54.9518 40.1953 172.7526 62 Y 4.8051 9.0182 124.4856 57.6618 39.9987 173.7059 63 N 3.6021 9.2684 126.9727 50.6846 38.6559 173.5460 64 P 3.9073 0.0000 0.0000 65.5221 31.6367 178.2732 65 T 3.9150 7.9016 116.1544 65.7420 68.3692 175.0724 66 D 4.5653 7.5712 116.9638 52.2798 39.9655 176.9489 67 G 4.4451 7.8825 107.5659 46.1782 0.0000 173.2995 68 Q 4.6554 8.0874 119.1345 54.1794 32.2430 174.4024 69 S 5.1187 8.1168 114.9882 57.2369 66.2968 173.2547 70 Y 5.1459 9.2246 120.9870 56.0364 42.4093 174.4345 71 L 4.8638 9.9214 124.5068 54.3121 43.5805 175.3291 72 I 4.4554 9.0934 128.4476 60.0654 38.8532 174.8439 73 A 4.5509 7.8416 129.7332 50.3986 20.0399 176.3787 74 Y 4.6450 8.1014 120.3519 57.8990 37.9811 174.4764 75 R 4.8354 8.2544 122.8463 54.3875 32.5229 175.2738 76 D 5.4020 8.4760 122.4664 53.5218 43.5090 174.6228 77 C 5.2228 9.0561 119.3490 55.8853 38.1227 172.5183 78 C 5.0419 9.7183 121.2438 54.9276 44.8765 174.6031 79 G 4.3239 10.1841 105.8116 45.7159 0.0000 172.8180 80 Y 4.7113 7.3989 114.4300 56.1047 42.0146 174.2544 81 N 4.6734 8.4540 120.0124 52.4865 39.9146 174.9805 82 V 3.7768 8.6583 121.0506 61.3119 31.5962 176.5451 83 S 4.1140 8.1236 118.1680 59.8542 62.8576 175.8530 84 G 3.9724 7.9313 107.1440 44.8823 0.0000 173.0712 85 R 4.5293 7.5286 118.2009 55.6611 32.6943 175.4131 86 C 4.2631 8.5045 116.6566 57.4408 37.2806 169.9924 87 P 5.3409 0.0000 0.0000 62.1641 33.0904 177.2570 88 C 5.0473 9.4379 118.7378 55.8497 45.5330 173.4541 89 L 4.7313 8.3592 122.7937 54.6719 42.8663 174.0343 90 N 5.1290 9.5368 124.6958 50.7733 42.2491 174.9497 91 T 4.3830 7.6432 110.9587 61.1485 68.9171 174.6758 92 E 3.9028 8.2324 122.2434 58.8597 28.4909 177.1839 93 G 3.7630 8.6199 112.3395 45.7055 0.0000 171.0012 94 E 4.4604 7.7766 120.1994 55.5124 30.1916 176.0313 95 L 4.6969 8.1638 126.0015 52.1484 44.6377 174.2379 96 P 4.4405 0.0000 0.0000 62.2923 32.0217 178.1899 97 V 3.6476 8.3886 120.5235 64.8072 31.1633 176.7088 98 Y 4.5326 7.3166 116.0818 57.6884 38.7763 175.6900 99 R 4.7943 7.6780 119.1970 53.9883 31.1101 174.0073 100 P 4.4682 0.0000 0.0000 66.0562 31.7047 178.6019 101 E 3.7430 8.2273 118.1777 58.3034 29.6213 177.1862 102 F 4.8842 8.5369 115.1112 56.7599 40.1671 173.5489 103 A 5.0677 8.6833 125.1673 50.9527 19.8230 177.5426 104 N 4.9772 8.9884 119.6909 52.8257 37.6066 175.3367 105 D 4.6898 7.8348 117.6114 54.9394 41.8011 176.8293 106 I 3.4877 7.1016 120.2694 60.6526 37.5857 175.9335 107 I 3.7814 7.5280 125.4190 60.3199 36.7291 176.9417 108 W 5.0443 8.3502 131.6783 56.3830 28.3564 178.3783 109 C 4.6090 7.4106 114.6821 56.5097 42.4800 174.5606 110 F 4.4730 7.7841 119.4927 59.6156 38.8211 175.9431 111 G 4.5397 9.4984 112.7317 46.5327 0.0000 173.8297 112 A 4.7506 7.9270 122.0888 51.4314 19.1072 176.9933 113 E 4.0619 8.5926 120.0476 56.8177 30.1992 177.0053 114 D 4.2060 9.5286 116.1027 55.0586 38.7062 174.0204 115 D 4.5098 7.8957 114.8132 54.8799 38.5892 173.9289 116 A 4.0977 7.9404 122.8007 53.0504 18.4420 178.2793 117 M 4.6967 8.5048 120.3226 54.7032 34.2991 175.4007 118 T 4.4075 7.6388 110.2822 61.0462 71.0722 173.0018 119 Y 4.4683 8.5588 125.4628 57.5980 39.9498 173.5574 120 H 4.6969 7.9094 125.4878 56.9985 32.2422 171.3021 121 C 4.9433 6.8451 109.6639 54.9642 43.4291 171.7005 122 T 5.3812 8.6544 115.2576 61.8255 71.9632 174.3081 123 I 4.3953 8.6172 119.3553 59.2227 40.3514 175.4425 124 S 4.7992 8.6082 116.6208 56.6400 63.1663 172.7956 125 P 4.4615 0.0000 0.0000 62.2638 32.7415 176.0914 126 I 4.1719 8.0236 121.0612 60.6460 37.9730 176.2977 127 V 4.2106 10.1012 123.5634 60.6912 32.1208 175.6764 128 G 4.3495 7.5138 111.0603 44.3403 0.0000 171.8188 129 K 3.9301 7.9529 121.1099 55.7338 33.0628 176.6390 130 A 5.1722 8.0806 123.7803 51.3975 19.2617 176.0801 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 7 V 8.05 3.94 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 0.87 0.00 0.00 0.94 0.00 0.00 8 D 8.62 4.14 0.00 3.01 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 9 P 0.00 4.46 0.00 2.24 2.19 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 10 R 8.05 4.46 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 11 A 7.61 4.50 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 12 K 8.50 4.02 0.00 1.76 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.67 7.81 13 W 8.78 4.52 0.00 3.47 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 14 Q 7.03 4.17 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 15 P 0.00 4.11 0.00 2.30 2.21 0.00 3.56 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 16 Q 8.80 4.73 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 17 D 8.42 5.41 0.00 2.62 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 18 N 10.54 4.99 0.00 2.83 2.89 0.00 0.00 6.51 7.94 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 19 D 8.08 4.33 0.00 2.66 2.57 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 20 I 7.99 2.90 1.35 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.25 0.00 0.00 21 Q 8.16 4.37 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 22 A 7.45 4.84 1.39 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 23 C 8.92 4.81 0.00 3.11 3.32 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 24 D 7.99 4.95 0.00 2.61 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 25 Y 8.29 4.75 0.00 3.34 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 26 W 8.63 4.68 0.00 3.66 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 27 R 5.84 3.42 0.00 1.35 1.64 0.00 3.01 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.14 5.04 0.00 3.56 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.42 3.03 0.00 2.28 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 30 S 8.22 4.95 0.00 3.86 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 31 I 7.48 3.26 1.72 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 1.01 0.98 0.86 0.00 0.00 32 D 8.66 4.75 0.00 2.50 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 33 G 7.97 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.84 5.47 0.00 2.71 2.76 0.00 0.00 7.41 6.97 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 35 I 8.21 4.20 1.84 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 1.10 0.72 0.96 0.00 0.00 36 C 8.46 4.34 0.00 3.17 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 37 D 8.06 4.11 0.00 2.57 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 38 C 7.94 4.79 0.00 3.00 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 39 S 7.86 4.52 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.79 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 41 G 7.61 4.43 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 42 S 8.54 4.68 0.00 3.94 3.94 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 43 L 8.57 4.23 0.00 1.67 1.67 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.39 4.61 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 1.19 0.00 0.00 45 N 8.07 5.07 0.00 2.72 2.68 0.00 0.00 6.93 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 46 C 8.34 4.83 0.00 2.90 2.92 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 47 P 0.00 4.77 0.00 1.95 1.95 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 48 P 0.00 4.18 0.00 2.03 1.96 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 49 G 8.98 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 0.00 0.00 0.00 0.00 50 T 6.74 4.40 4.16 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 0.40 0.00 0.00 51 K 8.88 4.61 0.00 1.74 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.68 7.81 52 L 8.47 4.52 0.00 1.73 1.54 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.54 4.82 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 54 T 8.90 4.33 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 1.24 0.00 0.00 55 A 8.14 4.67 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.07 4.88 0.00 3.92 3.46 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 *58 V 8.65 4.64 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 0.61 0.00 0.00 0.71 0.00 0.00 59 A 8.18 4.96 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 60 S 8.83 5.23 0.00 4.21 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 61 C 9.30 5.33 0.00 3.25 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.02 4.81 0.00 3.24 3.11 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 0.00 63 N 9.27 3.60 0.00 1.44 2.35 0.00 0.00 6.53 7.59 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 64 P 0.00 3.91 0.00 2.11 2.15 0.00 2.84 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 65 T 7.90 3.91 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 1.10 0.00 0.00 66 D 7.57 4.57 0.00 2.69 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 67 G 7.88 4.45 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 0.00 0.00 0.00 68 Q 8.09 4.66 0.00 1.76 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.56 0.00 69 S 8.12 5.12 0.00 3.74 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 70 Y 9.22 5.15 0.00 3.13 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 71 L 9.92 4.86 0.00 1.87 1.67 0.90 1.17 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 72 I 9.09 4.46 1.35 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 1.32 0.91 0.45 0.00 0.00 73 A 7.84 4.55 1.08 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 0.00 0.00 74 Y 8.10 4.65 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.25 4.84 0.00 1.80 1.88 0.00 3.58 0.00 0.00 3.44 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 76 D 8.48 5.40 0.00 3.02 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 77 C 9.06 5.22 0.00 2.74 2.90 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 78 C 9.72 5.04 0.00 2.78 3.26 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 79 G 10.18 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 0.00 0.00 0.00 0.00 80 Y 7.40 4.71 0.00 2.62 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 81 N 8.45 4.67 0.00 2.67 2.72 0.00 0.00 6.98 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 82 V 8.66 3.78 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 0.87 0.00 0.00 1.09 0.00 0.00 83 S 8.12 4.11 0.00 3.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.93 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 85 R 7.53 4.53 0.00 1.80 1.83 0.00 3.32 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 86 C 8.50 4.26 0.00 3.09 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 87 P 0.00 5.34 0.00 2.08 2.05 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 88 C 9.44 5.05 0.00 2.77 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 89 L 8.36 4.73 0.00 1.57 1.51 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.54 5.13 0.00 2.43 2.22 0.00 0.00 6.24 7.37 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 91 T 7.64 4.38 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 1.14 0.00 0.00 92 E 8.23 3.90 0.00 1.77 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 1.71 1.47 0.00 93 G 8.62 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 94 E 7.78 4.46 0.00 1.97 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 2.60 2.42 0.00 95 L 8.16 4.70 0.00 1.61 1.46 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.44 0.00 1.19 1.87 0.00 3.33 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 2.00 2.02 0.00 97 V 8.39 3.65 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 0.81 0.00 0.00 0.93 0.00 0.00 98 Y 7.32 4.53 0.00 3.18 3.25 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 99 R 7.68 4.79 0.00 1.86 1.98 0.00 3.46 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 100 P 0.00 4.47 0.00 2.62 2.63 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 101 E 8.23 3.74 0.00 1.65 1.16 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 1.69 1.98 0.00 102 F 8.54 4.88 0.00 3.12 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 0.00 103 A 8.68 5.07 1.45 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 0.00 0.00 104 N 8.99 4.98 0.00 2.79 2.92 0.00 0.00 6.99 8.21 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 0.00 105 D 7.83 4.69 0.00 2.59 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 0.00 106 I 7.10 3.49 0.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.27 -0.27 0.00 0.00 107 I 7.53 3.78 1.62 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 1.22 0.64 0.91 0.00 0.00 108 W 8.35 5.04 0.00 3.43 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 0.00 109 C 7.41 4.61 0.00 2.82 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 0.00 110 F 7.78 4.47 0.00 3.25 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 0.00 111 G 9.50 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.93 4.75 1.44 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 0.00 0.00 113 E 8.59 4.06 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 114 D 9.53 4.21 0.00 2.82 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 0.00 115 D 7.90 4.51 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.94 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.50 4.70 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 118 T 7.64 4.41 4.43 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 1.22 0.00 0.00 119 Y 8.56 4.47 0.00 3.15 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 0.00 120 H 7.91 4.70 0.00 3.12 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.85 4.94 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.65 5.38 4.37 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 1.47 0.00 0.00 123 I 8.62 4.40 1.98 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 1.33 0.96 0.93 0.00 0.00 124 S 8.61 4.80 0.00 3.84 3.79 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 0.00 0.00 0.00 125 P 0.00 4.46 0.00 2.17 2.13 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 126 I 8.02 4.17 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.46 1.08 0.00 0.00 127 V 10.10 4.21 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 0.70 0.00 0.00 0.88 0.00 0.00 128 G 7.51 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 0.00 129 K 7.95 3.93 0.00 1.65 1.61 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 0.73 7.81 130 A 8.08 5.17 1.13 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.