NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3550 8.2549 119.0677 55.0214 31.1737 175.1352 8 P 2.9700 0.0000 0.0000 61.5692 31.8247 174.1604 9 N 5.0319 8.3760 119.1698 51.8690 43.5235 173.4815 10 H 4.3632 9.0583 119.8793 59.0934 30.0494 175.3301 11 T 4.9401 9.1235 115.6560 62.1730 70.6136 174.0728 12 I 4.8079 8.3556 119.5204 59.4371 40.0934 173.8712 13 Y 4.4352 9.1303 129.0184 56.5946 40.2442 173.9498 14 I 4.8104 7.6523 127.4569 59.4098 40.9247 174.3792 15 N 5.1662 8.1010 122.3531 51.2974 41.5712 173.5522 16 N 4.2873 8.7380 113.4521 54.6929 37.0798 174.0139 17 L 4.3530 7.6248 115.2299 53.3335 42.7505 176.6000 18 N 4.3702 8.5843 119.6229 53.8474 38.9311 175.6997 19 E 4.2050 8.6576 125.4755 58.3662 29.9095 178.0969 20 K 4.1025 7.7096 117.4518 57.7254 32.4323 177.0063 21 I 4.0145 6.7792 119.5131 59.5659 38.1680 176.5986 22 K 4.1807 8.2176 124.4686 56.2358 34.6125 177.8004 23 K 3.8094 8.5596 121.0466 60.2102 32.1591 178.5338 24 D 4.3766 8.0167 117.4903 57.0308 41.1826 177.6273 25 E 3.9698 8.1115 119.6048 59.1943 29.8119 178.3836 26 L 4.1431 8.0639 120.4331 58.0993 41.7346 178.7870 27 K 4.0250 8.2733 119.6333 59.3525 32.1086 178.8625 28 K 4.0444 8.1550 118.4959 59.3255 31.5187 179.5060 29 S 4.4138 8.5644 115.4513 61.5424 62.7196 176.7209 30 L 4.2317 8.1778 121.5298 57.8128 41.2418 178.8155 31 H 4.2575 8.0047 117.9555 58.8802 29.5399 176.9023 32 A 4.0634 7.9403 122.1579 54.9135 18.2377 178.9534 33 I 3.9558 7.1626 113.9769 63.6584 37.6513 178.0731 34 F 4.8936 8.1476 117.2320 59.1531 38.3569 177.6902 35 S 4.3585 8.0653 115.2069 61.1123 62.5601 176.5738 36 R 3.8480 7.3944 117.9962 59.1360 29.1748 178.5023 37 F 4.4078 7.8736 115.7443 59.0031 39.3227 175.7416 38 G 4.2172 7.2206 103.1975 45.3122 0.0000 171.0887 39 Q 4.4438 8.1731 117.4780 55.2266 29.8977 174.4481 40 I 4.4957 8.1550 122.0869 59.5733 38.9347 175.7626 41 L 4.1470 9.2096 126.8753 57.4468 41.9729 176.8409 42 D 4.4089 7.1426 114.0349 53.6547 44.5200 175.2232 43 I 4.6808 8.4551 124.9173 59.5106 39.0283 175.0764 44 L 4.3782 8.9375 129.2736 54.1706 42.6949 176.6091 45 V 4.7180 8.3886 123.4213 61.1574 34.3924 174.4776 46 S 4.6822 8.8258 121.3132 56.7326 65.1079 173.1297 47 R 4.5228 8.5012 126.4303 55.9855 30.2344 175.8898 48 S 4.4308 7.4621 110.8982 56.9628 63.9534 174.8397 49 L 3.9005 8.5736 122.1079 58.3804 41.5891 178.3810 50 K 4.2576 8.0210 114.6478 58.1614 32.3379 177.3052 51 M 4.7357 7.3903 117.8657 54.7496 33.9241 176.2076 52 R 4.2081 7.7858 115.6062 57.2502 30.2088 176.8387 53 G 3.9289 8.8921 106.6057 46.1714 0.0000 172.7329 54 Q 4.9033 7.4819 116.0273 54.0425 32.8022 174.3736 55 A 4.8073 8.0847 121.1552 50.8006 23.4765 175.1838 56 F 5.0287 9.1792 118.2065 55.6582 42.5661 174.4116 57 V 4.2452 8.3128 123.9840 61.1349 33.6551 174.5095 58 I 4.2183 7.9128 129.0400 59.8657 38.1165 174.5072 59 F 5.2609 8.1476 124.6447 55.4724 39.5993 176.7326 60 K 4.1730 9.1032 123.7485 58.5510 32.7372 176.8994 61 E 4.8008 7.9768 117.6041 54.1016 31.9662 176.9854 62 V 3.5572 8.3317 122.0800 66.0652 31.6546 177.9594 63 S 3.9826 8.1980 112.4879 61.7952 61.8442 176.4976 64 S 4.0486 8.0151 117.1511 61.4577 62.6552 176.5380 65 A 3.6058 7.5961 122.9381 55.1372 18.0456 179.5846 66 T 4.2490 8.5179 116.1380 66.5533 68.6966 176.6467 67 N 4.3127 7.9670 117.6271 55.9817 38.5445 177.4984 68 A 2.5800 7.3730 122.3032 54.0837 17.7726 179.4613 69 L 3.7301 7.4643 118.6911 58.4879 41.9733 179.5726 70 R 3.9680 7.3420 116.4794 58.8069 30.0118 178.7165 71 S 4.4223 7.6375 113.8262 60.9422 63.7525 175.6475 72 M 4.2100 7.8212 118.9835 54.0290 32.0715 175.9347 73 Q 4.0726 7.1524 120.5035 57.7093 29.5116 176.4978 74 G 4.0813 8.9727 111.6257 46.9127 0.0000 172.9624 75 F 4.2515 8.0884 123.0174 56.9434 39.5719 172.6418 76 P 4.4024 0.0000 0.0000 62.6360 31.3188 175.6364 77 F 4.5790 8.7490 126.3949 57.2493 41.9110 174.3778 78 Y 3.6136 8.5422 127.1912 59.4612 34.7684 170.8295 79 D 4.3836 8.0277 114.5060 54.6037 39.7699 174.3356 80 K 4.6889 7.6123 119.1163 53.4131 35.1899 173.9269 81 P 4.7066 0.0000 0.0000 63.2418 31.8026 176.4703 82 M 4.4787 8.9198 124.2648 55.3752 34.2204 175.6049 83 R 4.7740 8.3997 119.2241 55.9892 32.5867 173.1504 84 I 4.8740 8.3349 127.6457 59.7141 38.8950 175.4947 85 Q 4.6671 9.2135 125.0856 53.8738 33.2128 174.5409 86 Y 4.7500 8.3039 117.6827 57.6908 39.3995 175.2651 87 A 4.3828 9.0736 127.4722 52.6844 18.6215 178.8354 88 K 4.0842 9.0256 123.8724 57.1244 32.0079 175.3524 89 T 4.8402 7.4074 106.5354 59.0634 72.0159 172.9787 90 D 4.5227 8.3785 121.1709 54.2110 41.4582 177.4624 91 S 4.3898 8.3361 118.1624 57.8896 65.0212 175.4857 92 D 4.3079 8.4263 122.6136 57.8187 40.3665 179.0128 93 I 3.7039 7.6389 117.0591 64.1558 38.0306 177.5072 94 I 3.8404 7.5803 119.1810 64.1833 37.1836 177.7563 95 A 4.2348 8.2852 123.5509 55.4591 18.2972 178.1609 96 K 4.0784 8.4068 122.9501 55.1654 33.0446 177.7355 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 R 8.25 4.35 0.00 1.85 1.79 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.71 1.12 0.00 3.39 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 9 N 8.38 5.03 0.00 2.69 2.90 0.00 0.00 7.04 7.89 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 10 H 9.06 4.36 0.00 3.24 3.60 0.00 5.85 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 9.12 4.94 4.41 0.00 0.00 0.00 0.00 0.00 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 12 I 8.36 4.81 1.78 0.00 0.00 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 1.30 0.58 0.93 0.00 0.00 13 Y 9.13 4.44 0.00 3.02 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 14 I 7.65 4.81 1.55 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.29 0.82 0.00 0.00 15 N 8.10 5.17 0.00 2.69 2.66 0.00 0.00 6.45 7.10 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 16 N 8.74 4.29 0.00 2.87 2.96 0.00 0.00 6.95 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 17 L 7.62 4.35 0.00 1.72 1.65 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.58 4.37 0.00 2.84 2.51 0.00 0.00 6.97 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 19 E 8.66 4.21 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 20 K 7.71 4.10 0.00 2.00 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.78 4.01 1.32 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 -0.08 0.56 0.00 0.00 22 K 8.22 4.18 0.00 1.96 1.91 0.00 1.52 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.48 7.81 23 K 8.56 3.81 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.47 7.81 24 D 8.02 4.38 0.00 2.84 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 25 E 8.11 3.97 0.00 2.10 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 0.00 2.52 2.45 0.00 26 L 8.06 4.14 0.00 1.86 1.85 1.18 0.15 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 27 K 8.27 4.02 0.00 2.08 2.00 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.63 7.81 28 K 8.15 4.04 0.00 1.96 1.90 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.68 7.81 29 S 8.56 4.41 0.00 4.39 4.36 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 30 L 8.18 4.23 0.00 1.81 1.81 1.00 1.05 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 31 H 8.00 4.26 0.00 3.08 3.45 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.16 3.96 1.39 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.39 0.00 0.00 34 F 8.15 4.89 0.00 3.26 3.38 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 35 S 8.07 4.36 0.00 4.04 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 36 R 7.39 3.85 0.00 1.71 1.90 0.00 2.21 0.00 0.00 2.74 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.00 37 F 7.87 4.41 0.00 3.00 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 38 G 7.22 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 0.00 0.00 0.00 0.00 39 Q 8.17 4.44 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 40 I 8.16 4.50 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.59 0.71 0.00 0.00 41 L 9.21 4.15 0.00 1.58 1.71 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.14 4.41 0.00 2.64 2.42 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 43 I 8.46 4.68 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.92 0.00 0.00 44 L 8.94 4.38 0.00 1.74 1.70 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.39 4.72 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 0.80 0.00 0.00 0.96 0.00 0.00 46 S 8.83 4.68 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.50 4.52 0.00 1.79 1.86 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 48 S 7.46 4.43 0.00 4.16 4.02 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 49 L 8.57 3.90 0.00 1.61 1.76 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.02 4.26 0.00 1.80 1.89 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.55 7.81 51 M 7.39 4.74 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 52 R 7.79 4.21 0.00 1.93 2.03 0.00 3.17 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.00 53 G 8.89 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 54 Q 7.48 4.90 0.00 2.11 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 55 A 8.08 4.81 1.07 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 56 F 9.18 5.03 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 57 V 8.31 4.25 1.59 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 0.10 0.00 0.00 0.41 0.00 0.00 58 I 7.91 4.22 1.89 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 1.24 0.83 0.91 0.00 0.00 59 F 8.15 5.26 0.00 3.19 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 60 K 9.10 4.17 0.00 1.79 1.93 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.51 7.81 61 E 7.98 4.80 0.00 2.05 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 2.35 2.24 0.00 62 V 8.33 3.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.65 0.00 0.00 63 S 8.20 3.98 0.00 3.91 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 64 S 8.02 4.05 0.00 3.92 3.37 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 65 A 7.60 3.61 1.54 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 66 T 8.52 4.25 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 1.28 0.00 0.00 67 N 7.97 4.31 0.00 2.83 3.01 0.00 0.00 6.96 7.41 0.00 0.00 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 A 7.37 2.58 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 69 L 7.46 3.73 0.00 1.62 1.57 -0.18 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.34 3.97 0.00 1.75 1.95 0.00 3.35 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 71 S 7.64 4.42 0.00 4.03 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 72 M 7.82 4.21 0.00 1.75 2.08 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.38 0.00 73 Q 7.15 4.07 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 74 G 8.97 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 75 F 8.09 4.25 0.00 3.10 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 76 P 0.00 4.40 0.00 1.73 1.85 0.00 3.10 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 77 F 8.75 4.58 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 3.61 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.03 4.38 0.00 2.81 2.78 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 80 K 7.61 4.69 0.00 1.88 1.89 0.00 1.68 0.00 0.00 2.03 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 81 P 0.00 4.71 0.00 2.09 2.06 0.00 3.77 0.00 0.00 3.64 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 82 M 8.92 4.48 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.63 0.00 83 R 8.40 4.77 0.00 1.97 1.98 0.00 3.20 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 84 I 8.33 4.87 1.80 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.84 0.00 0.00 85 Q 9.21 4.67 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 86 Y 8.30 4.75 0.00 2.95 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 87 A 9.07 4.38 1.49 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 0.00 0.00 88 K 9.03 4.08 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.41 4.84 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 1.21 0.00 0.00 90 D 8.38 4.52 0.00 2.69 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 91 S 8.34 4.39 0.00 3.84 3.74 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 92 D 8.43 4.31 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 93 I 7.64 3.70 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.73 0.89 0.00 0.00 94 I 7.58 3.84 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.90 0.76 0.00 0.00 95 A 8.29 4.23 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.41 4.08 0.00 1.71 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.30 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.