NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 A 4.2581 8.2601 123.5785 51.8451 19.9305 176.7227 26 A 3.6290 8.6200 126.7999 53.6629 18.5640 176.6195 27 F 4.9447 7.1195 114.1380 56.0634 41.8227 172.8427 28 H 4.6113 8.2403 119.0681 54.7893 30.4428 173.4756 29 G 3.9205 8.5212 109.8806 44.2070 0.0000 173.0520 30 E 3.9949 8.5715 120.0234 56.4013 29.9450 176.2571 31 V 4.4286 8.2437 123.9599 61.1909 34.2501 174.8344 32 V 4.5121 8.0969 119.2139 58.9507 35.1000 175.2574 33 R 3.9972 8.4167 122.6195 55.7908 30.2578 174.9338 34 P 4.4316 0.0000 0.0000 61.8656 32.2408 175.8631 35 A 4.0038 7.9671 121.7148 51.8003 19.1847 178.1510 36 C 4.7593 9.3849 118.0183 57.3739 41.8254 173.3802 37 T 4.6035 8.9398 118.2084 60.7217 68.9296 173.0647 38 L 4.8982 8.5164 130.2003 54.1804 43.3856 175.3711 39 A 4.8207 8.8976 127.1792 50.4404 22.2617 174.7217 40 M 5.0374 8.6255 122.4141 53.7337 35.5103 176.4590 41 E 4.0574 9.0065 116.0366 58.8625 30.1945 177.3203 42 D 4.7850 7.9485 119.1293 52.6020 42.2225 176.8920 43 A 3.9277 8.7982 129.2559 54.8839 18.4681 178.1246 44 W 4.2636 8.8424 113.5601 56.5958 29.5298 176.1229 45 Q 3.5561 7.9829 116.6475 57.3045 26.1708 173.4596 46 I 4.4878 7.9980 116.0673 59.4308 40.0542 175.4276 47 I 4.3199 7.8357 123.8855 59.1868 39.0206 174.9814 48 D 4.3797 8.6090 125.6684 54.3941 41.3556 175.7410 49 M 4.1260 8.5879 126.1335 55.7239 32.6777 177.2337 50 G 3.9532 8.2400 106.4959 45.0463 0.0000 173.5280 51 E 4.0971 8.3601 114.2910 55.6250 30.1259 175.3116 52 T 3.9767 8.7663 117.6826 63.9371 69.4085 174.1017 53 P 4.6439 0.0000 0.0000 61.7055 28.2195 176.8591 54 V 3.6229 7.6313 124.6398 67.4718 32.1532 177.7947 55 R 3.9590 7.9029 119.7869 61.4519 29.3696 180.0021 56 D 4.7244 8.1357 119.4758 57.4436 41.0154 178.9093 57 L 4.4463 8.0515 120.7119 57.4471 41.3624 179.5850 58 Q 4.0603 8.1211 117.2036 58.5429 28.8099 177.7694 59 N 4.4355 7.7938 115.7843 54.3354 38.6079 175.9984 60 G 3.6851 7.6169 108.3089 44.7419 0.0000 172.9134 61 F 5.1270 7.6540 118.8418 55.3356 42.1143 175.2601 62 S 4.6871 8.7067 115.1929 57.9559 64.2823 173.9221 63 G 4.1236 8.7407 109.4117 44.6261 0.0000 171.6086 64 P 4.5934 0.0000 0.0000 62.7961 31.8057 176.3431 65 E 4.4671 8.7146 121.3170 56.5840 30.6140 176.4330 66 R 4.6587 9.1816 124.6990 54.9147 33.3769 175.6683 67 K 4.9291 8.8349 128.1383 54.8811 32.8582 172.7015 68 F 5.1215 9.1104 118.2666 54.7239 41.7966 173.2471 69 S 4.9106 8.8708 114.6826 56.4845 65.0550 172.9831 70 L 4.7048 8.7289 127.0689 52.9735 44.0220 175.3303 71 R 4.4249 8.7905 125.9788 55.3665 31.6329 175.1402 72 L 4.9728 7.8282 126.5411 53.5068 42.6999 176.0217 73 R 4.5628 8.7677 123.2703 55.2405 33.3957 177.1365 74 N 4.4603 9.1432 117.3033 54.1340 37.6361 173.1992 75 C 5.0007 8.0846 109.1513 54.9458 42.6372 173.7154 76 E 3.7578 8.3785 117.3550 57.6166 26.7074 174.7945 77 F 4.3418 8.2384 122.3521 61.0207 40.2176 174.3941 78 N 5.0269 8.1280 116.2749 51.9584 39.7495 173.9721 79 S 4.7691 8.8796 117.9918 56.5529 66.4770 175.5853 80 Q 4.0142 8.9288 118.8123 57.9924 27.4136 177.3293 81 G 4.1327 7.6526 103.5647 44.8018 0.0000 173.9880 82 G 3.9249 7.5571 111.0154 45.5408 0.0000 172.5413 83 N 4.7750 8.0322 119.8109 51.5122 40.4429 175.6754 84 L 3.7858 7.8227 120.0479 58.3460 42.2269 180.0298 85 F 4.1250 7.8571 119.3515 61.5973 39.4294 177.2991 86 S 4.0358 8.1064 114.2231 61.3203 62.4615 175.3993 87 D 4.5840 7.7148 118.5898 53.5508 40.8855 176.4648 88 S 3.7793 7.4539 114.4875 59.7442 61.0102 173.0972 89 R 4.3739 8.1641 121.6699 57.5169 31.0528 176.5576 90 I 4.9352 7.6322 110.4743 58.8757 41.0657 175.0989 91 R 4.7059 8.6992 121.3545 54.5246 33.8885 174.8524 92 V 4.6809 8.4841 115.6849 59.8375 35.0310 174.7556 93 T 4.8135 7.9906 119.7306 61.8421 72.9850 172.9066 94 F 4.7565 8.9740 124.5592 56.8909 40.5524 174.2123 95 D 5.1995 9.2097 124.6863 52.8496 43.0535 176.5066 96 G 4.2404 8.1954 107.4879 46.5116 0.0000 171.6382 97 V 4.2222 7.9224 119.9772 61.5569 32.6731 176.0401 98 R 4.0543 8.7116 128.8426 55.8763 30.4766 176.0881 99 G 4.1995 8.5836 116.8308 46.1820 0.0000 175.9193 100 E 4.1957 9.0470 124.5056 58.3637 30.1825 176.2126 101 T 4.7914 7.3362 106.7391 58.7585 72.1698 172.4738 102 P 4.1241 0.0000 0.0000 66.2200 31.2842 177.5397 103 D 4.6899 7.5230 113.4277 54.7655 40.6244 175.9502 104 K 4.9960 7.8418 118.3342 54.6907 36.7397 175.1463 105 F 5.1300 9.3518 121.5788 55.4941 41.8728 174.9135 106 N 5.0336 9.4323 121.8341 53.7466 39.6338 174.0376 107 L 4.9748 8.3646 122.4720 53.1927 45.1982 176.4259 108 S 4.5232 8.8665 118.8745 57.4809 65.6169 172.8210 109 G 3.8370 8.7833 108.2254 45.0163 0.0000 173.7594 110 Q 4.3098 8.4855 117.3405 57.9538 28.6590 172.8008 111 A 4.4687 8.2844 121.3322 53.1636 19.2610 177.8917 112 K 4.5404 9.2842 122.6916 54.3884 36.4602 178.3297 113 G 3.9601 9.4033 109.8772 44.9275 0.0000 172.7168 114 I 5.0376 7.1407 111.5561 59.1451 40.7334 174.0739 115 N 5.1923 9.2776 120.2424 51.8466 43.7701 172.5755 116 L 5.2382 9.0229 120.9144 53.5926 45.6245 174.9285 117 Q 5.0231 8.9344 124.3950 54.4287 32.9237 173.8022 118 I 5.1577 8.4576 124.6240 59.4926 41.0796 174.1755 119 A 5.3572 9.0764 127.3026 50.2481 22.9872 175.8965 120 D 5.1258 9.0233 120.7554 52.1808 41.2196 177.5919 121 V 3.7528 8.0913 110.9815 63.2011 31.3892 177.1949 122 R 4.4169 8.4809 118.1116 55.7024 30.4021 176.8558 123 G 3.9500 8.4113 106.2615 45.2017 0.0000 173.6408 124 N 4.5287 8.2344 118.0393 53.4138 39.5757 173.8450 125 I 4.8345 8.3622 124.5927 59.7652 38.5778 175.6747 126 A 4.4234 9.3338 129.6611 52.0153 19.2843 176.9533 127 R 4.4605 8.5717 118.7509 53.6132 32.9560 175.1867 128 A 4.2611 7.9600 124.6977 54.4658 18.2533 177.8167 129 G 4.0770 9.3875 111.7697 45.3510 0.0000 172.8052 130 K 4.5828 7.8994 119.6606 53.8846 33.8291 176.6348 131 V 4.0818 8.2077 123.3835 61.6644 31.7960 175.9536 132 M 4.6125 9.3068 124.5212 54.5818 32.6535 174.5999 133 P 4.5511 0.0000 0.0000 62.4717 32.6391 175.8498 134 A 3.4188 8.3951 125.8180 51.7170 18.8435 176.9391 135 I 4.7598 7.8181 115.4981 58.0763 40.9612 173.5105 136 P 4.6308 0.0000 0.0000 61.9252 31.8569 176.5854 137 L 4.4511 8.3320 121.4506 54.7366 42.5446 177.0367 138 T 4.2130 8.3497 111.9692 62.5317 69.4552 174.9054 *141 E 4.0640 7.8750 117.9753 56.0639 31.0524 180.2272 142 E 4.3652 8.7668 123.2370 55.4974 29.4405 174.9362 143 A 4.8917 7.6535 117.9011 49.6182 21.5985 176.5865 144 L 4.2871 8.4783 121.4892 53.1372 43.7796 175.2785 145 D 4.9327 7.9532 123.3051 52.5312 43.1371 175.0736 146 Y 4.7566 8.0325 120.0498 56.2383 42.5705 174.5809 147 T 5.1068 8.8384 117.1029 61.8142 72.2524 173.3931 148 L 5.4797 9.1374 126.8249 54.3551 43.9745 175.4422 149 R 4.9587 8.5782 115.0217 55.2745 33.2383 173.8256 150 I 4.7741 8.3440 121.4071 60.6936 39.2624 175.1426 151 V 4.8530 8.6409 118.3174 59.2191 36.2235 175.3273 152 R 4.5733 8.6122 120.8116 56.4092 30.6160 176.4501 153 N 4.9892 8.3668 117.4641 51.6989 37.7340 174.9316 154 G 3.9303 8.8368 111.1331 46.1451 0.0000 174.8896 155 K 4.3455 8.1157 122.9355 53.5134 32.9294 181.7748 156 K 4.2376 8.2495 121.2087 56.2995 32.1783 176.1841 157 L 4.3605 8.4635 127.5852 54.2609 43.0376 175.9379 158 E 4.6724 9.2754 125.3837 54.4943 33.1943 175.0963 159 A 4.4245 8.9603 126.7541 51.5805 19.6129 176.7537 160 G 3.9479 7.9327 105.0616 46.7428 0.0000 171.7218 161 N 5.1194 8.0696 116.6998 52.5828 40.7948 175.7484 162 Y 4.8004 7.5897 117.0448 57.6163 39.3096 175.6629 *163 F 4.5881 8.3055 118.5985 56.2564 40.0526 174.3972 164 A 4.9045 7.9695 123.0694 50.8078 22.0682 175.6066 165 V 4.2960 8.2896 119.8435 61.0624 33.0280 174.9795 166 L 4.9306 8.3278 126.9272 52.7432 44.1609 176.4621 167 G 3.7802 9.1569 111.3301 46.1522 0.0000 172.3722 168 F 4.9433 8.8549 127.0331 56.3574 40.7728 173.9126 169 R 4.3149 8.3700 128.0332 54.6345 31.7237 174.9227 170 V 4.4120 8.2570 126.4657 61.3134 33.1995 174.1974 171 D 4.8240 8.8462 129.5555 53.3335 42.4299 175.3379 172 Y 4.4353 8.6309 121.7137 56.6382 39.2321 175.5248 173 E 4.2478 8.7702 123.1982 56.6513 29.2046 176.8738 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 25 A 8.26 4.26 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 26 A 8.62 3.63 0.57 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 27 F 7.12 4.94 0.00 3.07 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 28 H 8.24 4.61 0.00 3.18 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.52 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 30 E 8.57 3.99 0.00 1.95 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 2.31 2.33 0.00 31 V 8.24 4.43 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 0.90 0.00 0.00 0.97 0.00 0.00 32 V 8.10 4.51 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 0.79 0.00 0.00 0.92 0.00 0.00 33 R 8.42 4.00 0.00 1.79 1.86 0.00 3.31 0.00 0.00 3.45 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 34 P 0.00 4.43 0.00 2.25 1.94 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 35 A 7.97 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 9.38 4.76 0.00 3.07 3.15 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 37 T 8.94 4.60 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 38 L 8.52 4.90 0.00 1.76 1.58 0.93 0.94 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 39 A 8.90 4.82 1.18 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 0.00 0.00 40 M 8.63 5.04 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 41 E 9.01 4.06 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 42 D 7.95 4.78 0.00 2.72 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 43 A 8.80 3.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.84 4.26 0.00 3.63 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 45 Q 7.98 3.56 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 46 I 8.00 4.49 2.09 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 1.37 0.62 0.84 0.00 0.00 47 I 7.84 4.32 1.63 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.28 0.89 0.00 0.00 48 D 8.61 4.38 0.00 2.57 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 49 M 8.59 4.13 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 50 G 8.24 3.95 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 0.00 0.00 0.00 51 E 8.36 4.10 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 52 T 8.77 3.98 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 1.19 0.00 0.00 53 P 0.00 4.64 0.00 2.29 2.25 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 54 V 7.63 3.62 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 1.13 0.00 0.00 0.94 0.00 0.00 55 R 7.90 3.96 0.00 1.86 1.92 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 56 D 8.14 4.72 0.00 2.90 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 57 L 8.05 4.45 0.00 2.01 1.70 0.99 0.51 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 58 Q 8.12 4.06 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 59 N 7.79 4.44 0.00 2.91 2.73 0.00 0.00 7.31 8.23 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 60 G 7.62 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 0.00 0.00 0.00 61 F 7.65 5.13 0.00 3.10 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 62 S 8.71 4.69 0.00 4.04 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 63 G 8.74 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 64 P 0.00 4.59 0.00 2.10 2.08 0.00 3.80 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 2.02 2.03 0.00 65 E 8.71 4.47 0.00 1.89 1.94 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 2.33 2.35 0.00 66 R 9.18 4.66 0.00 1.74 1.86 0.00 3.30 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 67 K 8.83 4.93 0.00 1.54 1.59 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.00 7.81 68 F 9.11 5.12 0.00 3.08 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 69 S 8.87 4.91 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.73 4.70 0.00 1.37 1.31 -0.25 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.79 4.42 0.00 1.81 1.71 0.00 3.00 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 72 L 7.83 4.97 0.00 0.89 1.55 1.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.77 4.56 0.00 1.73 1.81 0.00 3.17 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 74 N 9.14 4.46 0.00 2.88 3.00 0.00 0.00 6.81 7.65 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 75 C 8.08 5.00 0.00 3.29 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 76 E 8.38 3.76 0.00 2.14 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 2.27 2.31 0.00 77 F 8.24 4.34 0.00 3.13 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 78 N 8.13 5.03 0.00 2.83 2.76 0.00 0.00 6.66 7.57 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 79 S 8.88 4.77 0.00 3.87 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 80 Q 8.93 4.01 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.29 1.97 0.00 81 G 7.65 4.13 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 0.00 82 G 7.56 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 83 N 8.03 4.77 0.00 2.13 2.65 0.00 0.00 7.37 6.55 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 84 L 7.82 3.79 0.00 1.58 1.77 1.13 1.05 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 85 F 7.86 4.13 0.00 3.41 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 86 S 8.11 4.04 0.00 3.94 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 87 D 7.71 4.58 0.00 2.61 2.62 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 88 S 7.45 3.78 0.00 3.95 3.86 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 89 R 8.16 4.37 0.00 1.84 1.96 0.00 3.05 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 90 I 7.63 4.94 1.52 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.40 0.00 0.00 91 R 8.70 4.71 0.00 1.65 1.76 0.00 3.03 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 92 V 8.48 4.68 1.26 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 0.87 0.00 0.00 1.16 0.00 0.00 93 T 7.99 4.81 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 1.35 0.00 0.00 94 F 8.97 4.76 0.00 3.21 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 95 D 9.21 5.20 0.00 2.61 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 96 G 8.20 4.24 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 0.00 0.00 0.00 97 V 7.92 4.22 2.15 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 0.96 0.00 0.00 0.98 0.00 0.00 98 R 8.71 4.05 0.00 1.72 1.74 0.00 3.28 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 99 G 8.58 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 0.00 100 E 9.05 4.20 0.00 2.07 1.94 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 2.36 2.33 0.00 101 T 7.34 4.79 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 1.20 0.00 0.00 102 P 0.00 4.12 0.00 2.03 2.15 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 103 D 7.52 4.69 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 0.00 104 K 7.84 5.00 0.00 1.78 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 105 F 9.35 5.13 0.00 2.94 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 0.00 106 N 9.43 5.03 0.00 2.92 2.77 0.00 0.00 6.96 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 0.00 107 L 8.36 4.97 0.00 1.52 1.60 0.72 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.87 4.52 0.00 3.80 3.82 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 0.00 0.00 0.00 0.00 109 G 8.78 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 0.00 0.00 0.00 110 Q 8.49 4.31 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.95 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 111 A 8.28 4.47 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 0.00 112 K 9.28 4.54 0.00 1.38 1.61 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.23 7.81 113 G 9.40 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.14 5.04 1.65 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 0.78 0.00 0.00 115 N 9.28 5.19 0.00 2.55 2.82 0.00 0.00 6.56 6.76 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 0.00 116 L 9.02 5.24 0.00 1.72 1.58 0.73 0.73 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 0.00 117 Q 8.93 5.02 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 118 I 8.46 5.16 1.51 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.49 0.28 0.00 0.00 119 A 9.08 5.36 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 0.00 120 D 9.02 5.13 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.09 3.75 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 0.59 0.00 0.00 0.89 0.00 0.00 122 R 8.48 4.42 0.00 1.82 1.94 0.00 3.22 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 123 G 8.41 3.95 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 0.00 0.00 0.00 124 N 8.23 4.53 0.00 3.09 2.87 0.00 0.00 7.00 7.22 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 0.00 125 I 8.36 4.83 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 1.00 0.00 0.00 126 A 9.33 4.42 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 0.00 127 R 8.57 4.46 0.00 1.87 1.76 0.00 3.29 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 128 A 7.96 4.26 0.99 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 0.00 0.00 129 G 9.39 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 0.00 130 K 7.90 4.58 0.00 1.95 1.78 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.41 7.81 131 V 8.21 4.08 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 0.99 0.00 0.00 0.98 0.00 0.00 132 M 9.31 4.61 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.92 0.00 133 P 0.00 4.55 0.00 2.13 2.09 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 134 A 8.40 3.42 0.99 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 0.00 0.00 135 I 7.82 4.76 1.96 0.00 0.00 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 1.77 1.08 1.00 0.00 0.00 136 P 0.00 4.63 0.00 2.09 2.03 0.00 3.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 137 L 8.33 4.45 0.00 1.72 1.66 1.24 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.35 4.21 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *141 E 7.88 4.06 0.00 2.04 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 2.13 1.88 0.00 142 E 8.77 4.37 0.00 2.01 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 2.40 2.14 0.00 143 A 7.65 4.89 1.09 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 0.00 144 L 8.48 4.29 0.00 1.45 1.32 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 145 D 7.95 4.93 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.03 4.76 0.00 1.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.84 5.11 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 1.29 0.00 0.00 148 L 9.14 5.48 0.00 1.84 1.86 0.79 0.82 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 0.00 149 R 8.58 4.96 0.00 2.06 2.05 0.00 2.79 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 150 I 8.34 4.77 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 0.96 0.80 0.00 0.00 151 V 8.64 4.85 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 0.73 0.00 0.00 0.98 0.00 0.00 152 R 8.61 4.57 0.00 1.68 1.84 0.00 3.11 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 153 N 8.37 4.99 0.00 2.68 2.91 0.00 0.00 7.17 7.09 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 0.00 154 G 8.84 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 0.00 155 K 8.12 4.35 0.00 1.77 1.62 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.25 7.81 156 K 8.25 4.24 0.00 1.53 1.64 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.01 7.81 157 L 8.46 4.36 0.00 1.61 1.59 0.94 0.86 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 0.00 158 E 9.28 4.67 0.00 1.87 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 2.21 2.42 0.00 159 A 8.96 4.42 1.24 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 0.00 0.00 160 G 7.93 3.95 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 0.00 0.00 0.00 161 N 8.07 5.12 0.00 2.65 2.67 0.00 0.00 6.35 7.48 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 0.00 162 Y 7.59 4.80 0.00 3.11 2.82 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 0.00 0.00 0.00 0.00 *163 F 8.31 4.59 0.00 2.21 2.23 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 0.00 164 A 7.97 4.90 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 0.00 165 V 8.29 4.30 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 0.89 0.00 0.00 0.95 0.00 0.00 166 L 8.33 4.93 0.00 1.57 1.62 0.38 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 167 G 9.16 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 F 8.85 4.94 0.00 2.87 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 0.00 169 R 8.37 4.31 0.00 1.92 1.59 0.00 3.24 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 170 V 8.26 4.41 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 0.37 0.00 0.00 0.87 0.00 0.00 171 D 8.85 4.82 0.00 2.52 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 0.00 172 Y 8.63 4.44 0.00 2.89 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 0.00 173 E 8.77 4.25 0.00 2.01 1.87 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 2.31 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.