NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6212 8.3344 116.7996 58.1197 65.9579 172.1177 3 N 4.6896 7.4197 124.4266 52.5939 42.8182 175.9192 4 T 4.4619 8.8360 111.6725 62.7865 73.5139 172.4007 5 L 4.6488 8.4438 125.1923 54.8337 43.0954 175.7019 6 F 4.8900 7.7262 118.6954 57.8420 42.6691 171.8155 7 D 4.4511 6.6008 121.0075 53.0100 44.0795 173.4933 8 D 4.2770 8.1751 121.9994 53.9850 46.1213 174.5112 9 I 4.8091 7.7428 123.0434 60.0498 38.9123 175.2243 10 F 5.1072 9.4336 126.6189 56.1220 42.1338 175.1964 11 Q 4.5033 9.5224 122.2983 54.1465 29.6223 174.4244 12 V 4.3416 8.6957 121.1933 61.5045 32.0439 177.0590 13 S 4.7751 8.9609 119.8748 58.7477 64.6362 173.9376 14 E 4.8594 7.9812 120.2559 54.9379 32.8496 173.7904 15 V 4.4271 8.4011 125.2965 60.1551 34.0051 175.0892 16 D 4.7798 8.5841 123.2636 51.1959 42.2723 173.7505 17 P 4.9182 0.0000 0.0000 61.4767 30.9109 179.1182 18 G 3.8692 7.6990 111.0939 45.8049 0.0000 172.2973 19 R 3.7840 7.9350 117.7817 57.0393 27.6429 176.6093 20 Y 4.8419 7.5491 112.4425 57.0092 42.4670 175.2722 21 N 4.6966 8.9394 120.5054 55.3175 40.0456 176.7002 22 K 4.2766 8.1554 116.8516 58.7861 33.5335 177.3083 23 V 4.2836 7.7429 118.5826 62.1807 32.4189 174.7527 24 C 5.1050 9.2428 125.1544 57.9447 31.9999 172.6837 25 R 4.8582 8.3339 122.2148 54.9782 31.6791 174.6662 26 I 4.7102 9.3772 128.3256 59.2661 40.3471 173.5634 27 E 4.9401 8.5303 130.0462 55.3915 31.5756 174.9362 28 A 5.4614 8.9731 127.2491 50.7467 23.3415 174.0051 29 A 4.9655 8.6844 116.4353 50.9490 23.3161 175.5005 30 S 4.5112 8.6680 114.5738 56.6921 63.8286 173.6335 31 T 4.0483 8.3117 118.2277 62.2828 68.6852 174.4668 32 T 4.4832 7.8498 131.3611 63.1078 65.6264 171.9973 33 Q 4.6038 7.0997 117.7403 54.1852 31.0545 176.3196 34 D 4.5218 8.8347 122.8210 57.0601 41.8051 177.3656 35 Q 4.4000 7.4974 116.5718 54.5212 27.0229 175.1174 36 C 5.7322 7.6512 114.7660 60.1261 35.2679 173.6622 37 K 4.9203 8.4066 123.5254 55.6578 36.5219 174.8786 38 L 5.4884 8.7264 121.6948 53.1771 45.5315 174.7121 39 T 4.9489 8.5690 117.0845 60.2515 70.7719 173.4222 40 L 5.1120 9.0676 127.5083 53.5209 46.3787 174.8758 41 D 5.1260 8.6792 124.6355 53.0919 41.4375 175.2175 42 I 4.2211 8.4306 125.0962 59.2930 39.6671 175.7654 43 N 5.1178 9.6330 127.2139 52.8665 36.5979 175.3475 44 V 4.3098 8.3679 120.8843 64.1189 31.8736 176.7624 45 E 4.0719 8.4683 120.5564 59.7111 29.5586 177.2960 46 L 4.5164 7.6567 115.4090 55.2868 40.9971 176.8706 47 F 4.6532 7.6184 118.7098 57.1008 40.2604 170.4520 48 P 4.5156 0.0000 0.0000 62.1989 31.8892 176.3805 49 V 4.4253 7.9787 120.4141 61.2714 35.4391 173.3855 50 A 4.3284 7.8929 131.7619 51.3435 20.8887 177.2522 51 A 3.9089 9.0306 121.8149 55.9315 19.4696 178.8448 52 Q 3.1861 7.6467 122.1567 56.5259 27.1101 173.8727 53 D 4.9809 7.5804 121.8225 52.5809 44.1820 175.5351 54 S 5.3317 8.6862 120.7491 57.2220 63.7535 172.8359 55 L 5.0154 8.8356 125.6892 54.9060 44.4634 174.5438 56 T 5.1623 8.8073 116.7227 62.0694 71.3680 173.8471 57 V 4.9073 9.1517 125.2365 61.6166 34.4149 174.4489 58 T 4.9962 8.9777 123.9557 62.3670 71.8423 173.5858 59 I 4.3218 8.5155 120.6665 61.7972 38.4603 178.1484 60 A 3.6663 7.9268 125.1588 54.1361 16.6652 177.7050 61 S 6.3000 7.8779 117.3212 59.0914 65.7803 177.9748 62 S 4.5777 7.8342 116.7235 59.6830 68.5900 176.0944 63 L 4.1666 8.4227 117.6452 52.5491 40.9313 174.4794 *76 T 4.0128 7.6222 112.8215 61.0384 68.4667 173.1771 77 R 3.6418 8.9144 124.6531 57.5038 29.2468 174.4946 78 S 3.4033 8.9238 116.9063 57.9165 61.9068 171.2479 79 W 4.3164 8.7398 135.0000 57.0744 30.8902 176.0055 80 R 3.9646 8.0058 124.9871 54.8105 30.3986 174.9826 81 P 3.8667 0.0000 0.0000 61.5432 34.1851 174.1991 82 P 4.1245 0.0000 0.0000 63.1127 29.9300 178.9648 83 Q 3.7646 9.5024 129.9135 57.4398 28.7273 175.0816 84 A 4.0775 7.5468 119.6449 53.8960 18.4198 179.3799 85 G 3.8949 7.5974 101.8192 46.2855 0.0000 174.3996 86 D 4.6167 7.9440 118.0221 53.3574 41.7315 174.6487 87 R 4.7148 7.7084 115.2487 54.1505 34.4726 174.1923 88 S 4.7588 8.3567 113.1751 57.4011 64.3095 174.0795 89 L 4.5364 8.2058 119.5380 53.2517 44.2598 176.1000 90 A 3.8371 7.8384 121.1327 53.5803 15.8905 176.2733 91 D 4.9937 7.5785 117.8859 53.0095 40.4690 178.0769 92 D 4.5504 8.3520 117.9755 56.2898 40.7965 175.5369 93 Y 4.7402 7.9125 116.9749 56.3094 40.5512 175.7487 94 D 4.6225 8.8536 121.6857 57.1129 41.5216 176.1732 95 Y 4.3205 7.8131 120.2945 55.5233 41.3689 174.4656 96 V 5.2932 8.1741 126.5034 61.2914 34.0506 173.7435 97 M 4.4673 8.2195 125.2678 53.5769 34.4365 173.7630 98 Y 4.6471 8.2292 119.8103 55.8253 41.8122 174.4922 99 G 4.0792 8.1098 112.1785 45.1489 0.0000 171.1842 100 T 4.9979 8.5217 114.9571 61.5560 71.9687 173.5042 101 A 4.1306 8.1563 126.0149 50.0086 19.8660 175.3236 102 Y 4.2941 8.2231 121.0621 56.5266 38.8856 174.9318 103 K 4.2534 6.6783 119.2081 53.3677 35.6305 174.3470 104 F 4.6707 8.3853 125.3946 55.7444 40.7396 174.5348 105 E 4.6110 9.1206 125.9516 53.9982 32.4693 174.9816 106 E 4.0519 8.7678 126.2020 56.0236 29.3545 176.8265 107 V 3.7482 7.9603 124.8632 64.1699 32.5639 176.3751 108 S 4.6283 8.1376 111.2278 59.6030 66.9724 175.6975 109 K 3.9358 8.9949 119.6785 58.1023 30.3919 175.0388 110 D 4.4622 8.9755 120.5026 54.8088 37.1101 172.9878 111 L 5.0022 7.7090 118.1760 53.4965 46.3690 175.0943 112 I 5.0146 10.5759 120.8722 59.6311 42.5492 173.7121 113 A 5.3596 8.3480 125.1757 51.6233 22.7975 175.9603 114 V 4.1449 8.1938 115.5886 59.9518 34.3964 174.5940 115 Y 5.2797 7.1285 120.3258 56.6193 41.2295 174.4761 116 Y 4.7520 8.7200 118.2413 56.5386 43.1855 174.3941 117 S 4.6368 9.1522 118.3300 56.4413 64.3676 172.8372 118 F 5.2391 8.8492 130.0444 55.9755 37.2643 176.3071 119 G 4.0689 9.2570 111.6060 46.3726 0.0000 171.6987 120 G 3.9310 7.9789 107.2239 44.7379 0.0000 174.3228 121 L 4.2651 7.9557 120.7832 54.5895 42.7220 176.5593 122 L 5.7881 9.6137 124.2882 52.8336 45.1690 175.3991 123 M 5.2782 8.3662 119.6445 54.2802 36.0607 173.2262 124 R 5.1941 9.5055 126.9502 54.5507 32.7626 173.9414 125 L 5.0547 8.6805 128.3286 53.2234 45.5517 174.9320 126 E 4.8157 8.4603 124.6794 54.5365 32.3438 172.6466 127 G 4.0762 9.3531 120.7031 46.2031 0.0000 172.4979 128 N 5.0774 8.9164 119.8070 54.4275 45.4064 175.4517 129 Y 4.2591 8.2400 117.4814 59.0871 38.7123 177.0671 130 R 4.2665 7.5072 121.9753 55.7099 28.6555 174.9539 131 N 4.5419 7.0075 115.0467 54.4913 40.9064 177.0768 132 L 4.0992 7.9221 125.5229 57.2702 42.4808 178.4435 133 N 4.4161 7.5141 115.6788 55.5212 38.9380 175.3376 134 N 4.6686 7.8105 122.7156 52.6875 39.3159 174.5497 135 L 4.5208 8.1844 135.0000 55.2995 41.5024 177.7277 136 K 4.6424 8.6337 112.1142 55.7815 34.7485 176.0725 137 Q 4.6623 7.7455 118.0056 55.4024 30.7480 175.6967 138 E 3.8427 9.0290 115.6889 60.0601 29.8790 177.1104 139 N 4.2171 8.0394 113.4289 52.8066 39.1257 174.2471 140 A 5.3662 8.0525 134.2327 52.7910 21.9571 175.5036 141 Y 5.0298 8.1257 120.3819 57.9372 41.4841 174.5507 142 L 4.6124 8.3757 121.2654 54.3462 45.8699 174.3414 143 L 4.9623 8.9337 127.1774 53.1426 44.0938 175.9721 144 I 5.4007 9.5775 126.1967 59.8226 39.8023 175.0148 145 R 4.8518 8.7394 118.8659 56.1994 32.6004 175.0975 146 R 4.2147 8.9238 117.3974 56.9158 30.2726 176.4886 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 2 S 8.33 4.62 0.00 3.90 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 3 N 7.42 4.69 0.00 2.70 1.74 0.00 0.00 6.93 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.84 4.46 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 5 L 8.44 4.65 0.00 1.71 1.88 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.73 4.89 0.00 3.15 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 7 D 6.60 4.45 0.00 2.52 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 0.00 0.00 0.00 0.00 8 D 8.18 4.28 0.00 2.63 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.74 4.81 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 1.39 0.77 0.94 0.00 0.00 10 F 9.43 5.11 0.00 3.06 3.02 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 0.00 0.00 0.00 11 Q 9.52 4.50 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 12 V 8.70 4.34 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 0.78 0.00 0.00 1.10 0.00 0.00 13 S 8.96 4.78 0.00 3.87 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 14 E 7.98 4.86 0.00 2.05 1.78 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 2.30 2.31 0.00 15 V 8.40 4.43 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 0.98 0.00 0.00 16 D 8.58 4.78 0.00 2.93 2.58 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 17 P 0.00 4.92 0.00 2.23 2.11 0.00 3.58 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 1.99 2.09 0.00 18 G 7.70 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.93 3.78 0.00 1.79 1.77 0.00 3.28 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 20 Y 7.55 4.84 0.00 2.98 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 21 N 8.94 4.70 0.00 2.76 2.90 0.00 0.00 6.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.16 4.28 0.00 1.77 1.88 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.83 1.48 7.81 23 V 7.74 4.28 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 0.55 0.00 0.00 0.88 0.00 0.00 24 C 9.24 5.10 0.00 2.98 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 25 R 8.33 4.86 0.00 1.91 1.79 0.00 3.04 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 26 I 9.38 4.71 1.85 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 1.11 1.08 0.91 0.00 0.00 27 E 8.53 4.94 0.00 2.15 1.81 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 2.29 2.28 0.00 28 A 8.97 5.46 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 29 A 8.68 4.97 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 30 S 8.67 4.51 0.00 3.65 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 31 T 8.31 4.05 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 1.21 0.00 0.00 32 T 7.85 4.48 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 1.11 0.00 0.00 33 Q 7.10 4.60 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 34 D 8.83 4.52 0.00 2.70 2.79 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 35 Q 7.50 4.40 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 36 C 7.65 5.73 0.00 3.08 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 37 K 8.41 4.92 0.00 2.08 1.90 0.00 1.35 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.43 7.81 38 L 8.73 5.49 0.00 1.68 1.36 0.75 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.57 4.95 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 1.25 0.00 0.00 40 L 9.07 5.11 0.00 1.63 1.41 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.68 5.13 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.43 4.22 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.85 0.00 0.00 43 N 9.63 5.12 0.00 2.88 3.00 0.00 0.00 6.49 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.37 4.31 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 1.14 0.00 0.00 1.00 0.00 0.00 45 E 8.47 4.07 0.00 2.04 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 2.36 2.28 0.00 46 L 7.66 4.52 0.00 1.86 1.80 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.62 4.65 0.00 3.40 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 48 P 0.00 4.52 0.00 1.89 1.88 0.00 3.41 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 49 V 7.98 4.43 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 0.82 0.00 0.00 1.05 0.00 0.00 50 A 7.89 4.33 1.02 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 0.00 0.00 0.00 0.00 0.00 51 A 9.03 3.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.65 3.19 0.00 2.12 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 53 D 7.58 4.98 0.00 2.95 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.69 5.33 0.00 3.95 3.77 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 55 L 8.84 5.02 0.00 1.96 1.83 0.99 0.78 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 56 T 8.81 5.16 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 1.36 0.00 0.00 57 V 9.15 4.91 2.59 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 1.18 0.00 0.00 0.95 0.00 0.00 58 T 8.98 5.00 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 1.16 0.00 0.00 59 I 8.52 4.32 2.04 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 1.25 1.63 0.95 0.00 0.00 60 A 7.93 3.67 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.88 6.30 0.00 4.34 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 0.00 62 S 7.83 4.58 0.00 3.91 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 63 L 8.42 4.17 0.00 1.59 1.63 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.62 4.01 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 1.26 0.00 0.00 77 R 8.91 3.64 0.00 1.95 2.02 0.00 3.30 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 78 S 8.92 3.40 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.74 4.32 0.00 3.16 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.01 3.96 0.00 1.48 1.59 0.00 3.33 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 81 P 0.00 3.87 0.00 1.97 1.90 0.00 3.54 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 82 P 0.00 4.12 0.00 2.14 1.81 0.00 3.56 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 2.09 2.08 0.00 83 Q 9.50 3.76 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 84 A 7.55 4.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.60 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 86 D 7.94 4.62 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.71 0.00 1.76 1.77 0.00 3.20 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 88 S 8.36 4.76 0.00 3.97 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 89 L 8.21 4.54 0.00 1.83 1.71 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.84 3.84 1.23 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 0.00 0.00 91 D 7.58 4.99 0.00 2.87 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 92 D 8.35 4.55 0.00 2.52 2.63 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 0.00 0.00 0.00 93 Y 7.91 4.74 0.00 2.87 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.85 4.62 0.00 2.57 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 95 Y 7.81 4.32 0.00 1.79 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 0.00 0.00 0.00 96 V 8.17 5.29 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 0.91 0.00 0.00 0.88 0.00 0.00 97 M 8.22 4.47 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.30 0.00 98 Y 8.23 4.65 0.00 2.55 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 99 G 8.11 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 0.00 0.00 0.00 100 T 8.52 5.00 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 1.29 0.00 0.00 101 A 8.16 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.22 4.29 0.00 2.82 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 0.00 103 K 6.68 4.25 0.00 1.77 1.67 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 104 F 8.39 4.67 0.00 2.79 2.80 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 0.00 0.00 0.00 105 E 9.12 4.61 0.00 1.78 1.57 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 2.16 2.25 0.00 106 E 8.77 4.05 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 107 V 7.96 3.75 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 0.77 0.00 0.00 0.89 0.00 0.00 108 S 8.14 4.63 0.00 4.08 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 0.00 109 K 8.99 3.94 0.00 2.01 1.91 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 110 D 8.98 4.46 0.00 2.94 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 0.00 111 L 7.71 5.00 0.00 1.73 1.51 0.93 0.44 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 0.00 112 I 10.58 5.01 1.81 0.00 0.00 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 1.09 1.28 0.81 0.00 0.00 113 A 8.35 5.36 0.96 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 0.00 114 V 8.19 4.14 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 0.93 0.00 0.00 0.92 0.00 0.00 115 Y 7.13 5.28 0.00 1.70 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 0.00 116 Y 8.72 4.75 0.00 2.64 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 0.00 0.00 0.00 117 S 9.15 4.64 0.00 3.52 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 5.24 0.00 3.19 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 0.00 119 G 9.26 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 0.00 120 G 7.98 3.93 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 0.00 0.00 0.00 121 L 7.96 4.27 0.00 1.92 1.87 1.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.61 5.79 0.00 1.70 1.59 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.37 5.28 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 124 R 9.51 5.19 0.00 2.04 1.82 0.00 3.26 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 125 L 8.68 5.05 0.00 1.69 1.32 0.87 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.46 4.82 0.00 2.12 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 2.18 2.21 0.00 127 G 9.35 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 0.00 0.00 0.00 128 N 8.92 5.08 0.00 2.94 2.78 0.00 0.00 6.63 7.56 0.00 0.00 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 8.24 4.26 0.00 3.16 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 0.00 130 R 7.51 4.27 0.00 1.47 1.73 0.00 2.72 0.00 0.00 2.54 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.00 131 N 7.01 4.54 0.00 2.71 2.59 0.00 0.00 6.99 6.74 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 0.00 132 L 7.92 4.10 0.00 1.64 1.72 0.90 1.01 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 0.00 133 N 7.51 4.42 0.00 2.79 3.18 0.00 0.00 6.90 7.88 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 0.00 134 N 7.81 4.67 0.00 2.66 2.76 0.00 0.00 6.91 7.78 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 0.00 135 L 8.18 4.52 0.00 1.69 1.44 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.63 4.64 0.00 1.72 1.78 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.86 1.15 7.81 137 Q 7.75 4.66 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 138 E 9.03 3.84 0.00 2.08 2.18 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 2.37 2.34 0.00 139 N 8.04 4.22 0.00 2.83 2.97 0.00 0.00 6.74 7.35 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 0.00 140 A 8.05 5.37 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 0.00 141 Y 8.13 5.03 0.00 3.04 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 0.00 142 L 8.38 4.61 0.00 1.66 0.85 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.93 4.96 0.00 0.46 0.46 0.66 0.23 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 0.00 144 I 9.58 5.40 1.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.19 0.95 0.00 0.00 145 R 8.74 4.85 0.00 1.97 2.10 0.00 2.77 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 146 R 8.92 4.21 0.00 2.01 1.97 0.00 3.40 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.