NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0324 8.1633 120.6999 55.1610 33.8558 173.8890 2 R 4.9626 9.0092 121.7911 51.8448 34.0886 169.7162 3 V 4.9496 8.4775 121.7301 60.0424 35.7502 173.9057 4 V 4.8049 8.9201 124.1107 61.4865 33.5491 174.1212 5 I 5.0168 8.9443 129.5434 59.7625 39.6399 174.7154 6 Q 5.1673 9.0557 125.6840 53.8057 32.3913 174.8599 7 R 4.2892 8.8391 125.0565 56.4912 31.4280 175.6877 8 V 5.0137 8.9829 118.6616 59.7857 35.6419 176.4769 9 K 4.1519 9.2277 122.3319 58.4847 32.9672 176.9527 10 G 4.3600 7.7534 104.5466 45.2554 0.0000 172.1815 11 A 5.2576 8.6676 121.0823 50.4168 23.3868 175.6190 12 I 4.7482 8.8109 121.5965 59.5121 40.7560 174.2146 13 L 4.9890 8.8990 130.5980 53.9124 43.6616 175.5714 14 S 5.0141 9.2684 124.0805 57.2877 67.3064 173.9356 *29 I 4.3405 8.3251 121.2025 60.7967 36.5682 177.1076 30 I 4.8303 8.4469 121.6991 59.1811 37.9715 172.9617 31 S 4.6910 7.8668 113.8038 58.3761 65.7410 172.5797 32 E 5.2983 8.4419 124.9176 55.1589 32.4431 173.9472 33 I 4.8603 8.7925 119.1449 58.4244 41.5554 175.4186 34 K 4.6842 8.9563 126.2516 55.7485 30.8478 177.8429 35 N 4.4751 8.5962 124.6695 53.6193 39.0649 175.4035 36 G 4.1851 7.0649 107.6289 45.7464 0.0000 170.5803 37 L 5.2247 8.0889 119.9528 53.0290 44.8247 175.5054 38 I 4.5579 8.4880 123.2641 59.6149 40.1466 173.8953 39 C 5.0913 8.6244 127.3986 57.9950 30.7594 173.1273 40 F 4.9298 9.2924 124.8203 56.5503 40.0705 174.7204 41 L 5.0469 9.7185 127.6342 53.2272 44.4749 175.0536 42 G 4.4905 9.5395 114.6662 44.7068 0.0000 171.9358 43 I 4.9605 8.7358 126.5819 60.4246 39.2820 174.8256 44 H 4.0919 9.7347 129.7470 55.1857 31.1582 176.6799 45 K 3.7995 7.8113 124.9002 57.3052 31.4815 178.9543 46 N 5.0627 8.1609 114.7530 52.7890 39.1535 174.3631 47 D 4.7116 7.7358 118.6227 54.3154 41.6886 176.6570 48 T 4.7713 8.7768 114.0603 59.7011 71.1612 175.5069 49 W 4.5506 9.0896 133.1043 61.2895 30.5471 178.2223 50 E 4.0585 8.1261 117.4154 61.0665 28.9580 182.5114 51 D 4.5480 8.1380 119.1509 57.3340 40.9098 178.8170 52 A 3.9842 7.9171 120.7682 54.9515 18.3389 179.2771 53 L 3.4249 7.7018 117.8198 57.9434 41.6254 179.1425 54 Y 3.8436 7.7497 118.9562 60.6910 38.6723 178.0428 55 I 3.6737 7.4694 120.6609 64.6397 37.3122 178.2889 56 I 3.1127 7.4385 120.2893 64.1713 36.6637 178.3677 57 R 3.7294 7.9159 119.5643 59.5247 29.9292 178.8134 58 K 3.8631 7.8340 118.1615 59.4444 31.7209 179.2598 59 C 4.2387 8.2264 116.7453 62.8591 28.2173 175.8276 60 L 4.2287 8.0432 118.8565 56.4830 41.3698 177.4253 61 N 4.9104 7.5538 113.6995 52.6531 40.9424 174.9854 62 L 3.8863 7.8798 119.3130 55.3396 42.0577 176.7899 63 R 4.7656 8.6105 122.9270 55.4074 29.0082 176.4574 64 L 5.0945 8.5949 120.6726 53.9841 43.1257 176.7114 65 W 4.6972 8.1972 119.3873 54.6242 31.8525 175.2049 66 N 4.8597 8.3690 118.1760 53.0050 39.2268 174.1303 67 N 4.8988 8.9022 121.8854 52.9795 39.4603 174.8886 68 D 4.6452 9.0746 129.2874 54.2802 38.5644 174.3961 69 N 5.0196 7.9743 113.3675 51.4656 40.9555 176.7810 70 K 4.6628 7.8748 118.5049 53.2183 33.6994 181.4265 71 T 4.8295 8.2965 113.4532 60.0627 70.2619 174.2463 72 W 4.0373 7.4658 119.6390 57.3503 26.5768 173.3957 73 D 4.9218 8.9859 120.4343 55.5275 43.6682 177.7331 74 K 5.0213 8.1815 120.8519 53.3847 35.1576 177.3902 75 N 5.8155 9.3055 121.4115 50.0809 39.9030 176.3330 76 V 3.4230 8.7287 118.4031 64.7990 31.0945 178.6286 77 K 3.5529 7.8608 118.4895 59.3375 31.8278 178.5212 78 D 4.3192 8.1670 118.0861 57.3737 40.8888 178.5609 79 L 3.8924 6.9888 115.6019 53.2014 41.8688 175.9252 80 N 4.3619 8.0707 116.0520 53.7426 37.8275 173.5424 81 Y 4.9040 7.7621 113.8170 57.2716 39.8377 174.5452 82 E 4.9674 8.8854 119.6706 54.9585 33.2121 175.3506 83 L 5.1278 8.6744 119.7278 53.0550 45.7276 175.7193 84 L 4.8532 8.8901 126.6135 53.6498 43.6543 175.0181 85 I 4.5542 8.7143 129.1551 59.9144 38.8872 175.1641 86 V 4.6647 8.7896 127.9682 60.6481 34.2638 174.7946 87 S 4.6918 8.7215 123.1530 58.6544 63.9809 174.8431 88 Q 4.5627 9.3239 125.0147 54.8715 29.5625 174.6960 89 F 4.5673 8.3220 119.0791 59.0325 38.7329 178.4294 90 T 3.8837 6.9563 110.6021 63.9398 68.3164 175.0476 91 L 4.0781 7.5231 120.9816 56.5628 42.5609 178.1685 92 F 4.8634 7.8848 119.9369 57.3173 38.4292 177.1247 *105 L 4.2074 8.4045 123.0243 55.3199 44.3157 176.7831 106 A 4.0775 8.0340 123.4411 51.8696 18.7953 178.2694 107 K 3.8595 8.3723 129.2763 55.9125 32.4061 174.4626 108 E 4.0511 8.8736 119.9029 54.9095 30.6128 174.4619 109 P 4.5328 0.0000 0.0000 66.2438 30.9493 179.6579 110 N 4.4017 8.1808 119.9308 58.1720 37.7765 180.4624 111 E 4.2419 8.1680 120.4974 60.7036 29.8919 180.4755 112 A 4.3502 8.3592 122.1946 55.1605 18.3948 179.4917 113 L 3.0021 7.6251 118.0921 57.9871 41.9870 179.1794 114 I 3.6800 7.3949 119.3296 64.3505 37.0378 177.9155 115 F 3.9876 8.5136 121.4967 61.5942 39.1448 176.3305 116 Y 4.3933 8.9769 119.1965 61.1421 38.6544 177.8376 117 N 4.4157 8.9621 120.0942 57.0323 38.6793 178.1450 118 K 3.9673 8.5232 125.3611 59.7704 31.6344 181.0575 119 I 4.0241 8.2734 121.3995 64.4953 37.0581 178.6252 120 I 3.8455 8.0782 120.9689 64.3849 36.7777 178.1678 121 D 4.3821 8.3157 119.8063 57.4644 40.6557 178.4691 122 E 3.9972 8.4521 119.6689 59.2480 29.6440 178.7026 123 F 4.1719 8.3876 117.9467 60.8163 38.8637 177.9072 124 K 4.1864 8.4262 120.3964 59.9126 31.5643 180.3280 125 K 4.0817 8.1836 123.6892 59.8123 31.8164 181.2694 126 Q 4.5230 8.4441 117.4063 55.7656 29.1415 175.7541 127 Y 4.8380 8.3595 117.1547 57.1652 39.7709 175.3441 128 N 4.6663 5.7700 111.9200 52.9868 43.1497 174.7020 129 D 4.3644 8.9654 127.1053 57.0877 40.0199 175.9011 130 D 4.2995 8.9455 116.8412 54.4496 40.2085 179.2446 131 K 4.1642 7.8179 116.3128 57.2463 32.5846 175.7112 132 I 4.7032 6.9758 120.1824 59.6329 38.2605 175.4594 133 K 4.6646 8.9778 127.8411 55.1718 34.3695 175.8394 134 I 5.3012 7.5626 114.5033 58.5531 41.3905 173.9806 135 G 4.0632 8.3613 111.5902 45.0871 0.0000 174.6091 136 K 4.4505 8.4215 121.1024 52.8073 30.7994 172.6695 137 F 3.9828 8.7143 127.2659 59.0386 39.4739 176.1105 138 G 4.0130 8.1451 114.7251 45.7746 0.0000 172.9321 139 N 4.9516 7.7507 116.6299 51.2948 40.4076 174.3176 140 Y 4.1011 8.4992 122.0323 58.0594 39.4644 175.3579 141 M 4.8034 7.2098 125.1692 53.3374 36.1086 173.9664 142 N 4.7870 9.1695 121.1184 52.0022 41.2220 173.4004 143 I 4.9486 8.2764 127.1689 59.6044 39.8475 175.0556 144 D 4.6654 8.9134 128.7455 53.5884 41.8403 175.8290 145 V 4.6218 8.3848 123.7614 61.4546 34.1360 175.5347 146 T 4.4111 8.7521 125.4927 62.1295 68.5503 173.0942 147 N 4.7769 8.5726 123.7226 53.3125 39.4381 174.7887 148 D 4.3349 10.3115 125.1408 53.7233 40.5360 173.5791 149 G 3.5609 8.6378 116.3967 44.1840 0.0000 171.2604 150 P 4.5147 0.0000 0.0000 61.0440 33.1601 175.6730 151 V 4.3553 8.0136 116.6058 61.7707 34.1794 173.7500 152 T 5.0983 8.6393 124.8057 61.8418 70.6598 173.9187 153 I 4.6433 8.9718 127.4555 59.5565 40.5397 174.0120 154 Y 5.2471 8.5510 125.6446 55.9541 41.8987 174.6166 155 I 4.4412 7.4994 125.4972 59.4712 41.8000 173.4876 156 D 5.2218 8.3780 126.4408 52.4068 42.8591 176.5038 157 T 3.6741 8.8280 117.9051 64.1734 69.2078 175.0672 158 H 4.6685 8.0719 117.9114 56.1265 28.5389 175.0384 159 D 4.5419 7.8300 125.9410 54.4596 40.8394 176.2389 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 M 8.16 5.03 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.01 4.96 0.00 1.34 1.62 0.00 2.22 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 3 V 8.48 4.95 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 0.65 0.00 0.00 1.02 0.00 0.00 4 V 8.92 4.80 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 1.10 0.00 0.00 1.10 0.00 0.00 5 I 8.94 5.02 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 1.26 0.55 0.92 0.00 0.00 6 Q 9.06 5.17 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 7 R 8.84 4.29 0.00 1.62 1.64 0.00 2.21 0.00 0.00 2.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.00 8 V 8.98 5.01 2.34 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 0.90 0.00 0.00 0.99 0.00 0.00 9 K 9.23 4.15 0.00 1.58 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.41 7.81 10 G 7.75 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 0.00 0.00 0.00 11 A 8.67 5.26 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 12 I 8.81 4.75 1.87 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 1.00 0.91 0.00 0.00 13 L 8.90 4.99 0.00 1.69 1.52 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.27 5.01 0.00 3.76 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 *29 I 8.33 4.34 1.87 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 1.27 0.63 0.91 0.00 0.00 30 I 8.45 4.83 1.87 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 1.23 0.91 0.00 0.00 31 S 7.87 4.69 0.00 3.86 3.66 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 32 E 8.44 5.30 0.00 1.97 1.74 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 2.18 2.47 0.00 33 I 8.79 4.86 1.84 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 1.20 0.60 0.88 0.00 0.00 34 K 8.96 4.68 0.00 1.70 1.31 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.51 7.81 35 N 8.60 4.48 0.00 1.44 1.47 0.00 0.00 6.68 7.58 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 36 G 7.06 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 0.00 0.00 0.00 0.00 37 L 8.09 5.22 0.00 1.65 1.59 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.49 4.56 1.77 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 0.21 1.44 0.99 0.00 0.00 39 C 8.62 5.09 0.00 2.78 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 40 F 9.29 4.93 0.00 2.95 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 41 L 9.72 5.05 0.00 1.82 1.74 1.19 1.06 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 42 G 9.54 4.49 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 0.00 43 I 8.74 4.96 2.03 0.00 0.00 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 1.44 1.06 0.61 0.00 0.00 44 H 9.73 4.09 0.00 3.12 3.41 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.81 3.80 0.00 1.81 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.31 7.81 46 N 8.16 5.06 0.00 2.65 2.82 0.00 0.00 6.93 8.06 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 47 D 7.74 4.71 0.00 2.46 2.37 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 48 T 8.78 4.77 4.40 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 1.30 0.00 0.00 49 W 9.09 4.55 0.00 3.38 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 50 E 8.13 4.06 0.00 2.06 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 2.24 2.23 0.00 51 D 8.14 4.55 0.00 3.10 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 52 A 7.92 3.98 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 53 L 7.70 3.42 0.00 1.58 1.56 0.57 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.75 3.84 0.00 3.16 3.06 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 55 I 7.47 3.67 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.90 1.01 0.00 0.00 56 I 7.44 3.11 1.49 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.39 0.17 0.00 0.00 57 R 7.92 3.73 0.00 1.73 1.84 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 58 K 7.83 3.86 0.00 1.72 1.71 0.00 1.59 0.00 0.00 1.42 0.00 0.00 2.57 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.76 1.20 7.81 59 C 8.23 4.24 0.00 3.43 3.18 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 60 L 8.04 4.23 0.00 1.61 1.64 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.55 4.91 0.00 2.64 2.78 0.00 0.00 6.98 7.91 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 62 L 7.88 3.89 0.00 1.81 1.64 0.89 0.63 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 63 R 8.61 4.77 0.00 2.01 2.17 0.00 3.12 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 64 L 8.59 5.09 0.00 0.91 1.37 0.80 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.20 4.70 0.00 3.61 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 66 N 8.37 4.86 0.00 2.70 2.65 0.00 0.00 6.36 6.92 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 67 N 8.90 4.90 0.00 2.66 2.76 0.00 0.00 7.56 8.50 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 68 D 9.07 4.65 0.00 2.90 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 69 N 7.97 5.02 0.00 2.66 2.66 0.00 0.00 6.39 7.44 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 70 K 7.87 4.66 0.00 1.69 1.69 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.21 7.81 71 T 8.30 4.83 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 1.12 0.00 0.00 72 W 7.47 4.04 0.00 3.44 3.33 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 73 D 8.99 4.92 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.18 5.02 0.00 1.46 1.62 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 0.97 7.81 75 N 9.31 5.82 0.00 2.98 3.24 0.00 0.00 6.61 7.30 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 76 V 8.73 3.42 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 1.04 0.00 0.00 1.12 0.00 0.00 77 K 7.86 3.55 0.00 1.73 1.59 0.00 1.36 0.00 0.00 1.44 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.09 7.81 78 D 8.17 4.32 0.00 2.68 2.68 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 79 L 6.99 3.89 0.00 0.27 0.13 0.22 0.68 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 80 N 8.07 4.36 0.00 2.65 2.82 0.00 0.00 7.17 7.92 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 81 Y 7.76 4.90 0.00 2.68 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 82 E 8.89 4.97 0.00 1.92 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 2.22 2.29 0.00 83 L 8.67 5.13 0.00 1.42 1.28 1.11 0.37 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 84 L 8.89 4.85 0.00 1.67 1.44 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.71 4.55 1.78 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.72 0.94 0.00 0.00 86 V 8.79 4.66 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 1.00 0.00 0.00 0.74 0.00 0.00 87 S 8.72 4.69 0.00 3.41 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 88 Q 9.32 4.56 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 89 F 8.32 4.57 0.00 3.40 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 90 T 6.96 3.88 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 0.51 0.00 0.00 91 L 7.52 4.08 0.00 1.49 1.44 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.88 4.86 0.00 3.27 2.85 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 *105 L 8.40 4.21 0.00 1.53 1.39 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.03 4.08 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 0.00 107 K 8.37 3.86 0.00 1.57 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.29 7.81 108 E 8.87 4.05 0.00 1.88 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 2.32 1.92 0.00 109 P 0.00 4.53 0.00 2.19 2.26 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 110 N 8.18 4.40 0.00 2.73 2.81 0.00 0.00 7.03 7.66 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 0.00 111 E 8.17 4.24 0.00 1.97 1.99 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 2.31 1.95 0.00 112 A 8.36 4.35 1.64 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 0.00 0.00 113 L 7.63 3.00 0.00 0.78 1.50 0.28 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.39 3.68 2.08 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 1.40 0.56 0.91 0.00 0.00 115 F 8.51 3.99 0.00 3.46 3.40 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 0.00 116 Y 8.98 4.39 0.00 3.48 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 0.00 117 N 8.96 4.42 0.00 2.94 2.90 0.00 0.00 7.22 7.25 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 0.00 118 K 8.52 3.97 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 119 I 8.27 4.02 2.19 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.01 0.00 0.00 120 I 8.08 3.85 1.94 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 1.14 0.40 0.91 0.00 0.00 121 D 8.32 4.38 0.00 2.92 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 0.00 122 E 8.45 4.00 0.00 2.50 2.03 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 2.19 2.27 0.00 123 F 8.39 4.17 0.00 3.29 3.05 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 0.00 0.00 0.00 124 K 8.43 4.19 0.00 2.01 1.89 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.72 7.81 125 K 8.18 4.08 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 126 Q 8.44 4.52 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 127 Y 8.36 4.84 0.00 3.01 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 0.00 128 N 5.77 4.67 0.00 2.52 1.74 0.00 0.00 7.59 8.37 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 0.00 129 D 8.97 4.36 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.95 4.30 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 0.00 131 K 7.82 4.16 0.00 1.12 1.50 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.94 0.70 7.81 132 I 6.98 4.70 1.85 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 1.40 1.02 0.82 0.00 0.00 133 K 8.98 4.66 0.00 1.79 1.68 0.00 1.46 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.40 7.81 134 I 7.56 5.30 2.12 0.00 0.00 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 1.30 1.77 0.92 0.00 0.00 135 G 8.36 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 0.00 0.00 0.00 136 K 8.42 4.45 0.00 1.69 1.75 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 1.42 0.99 7.81 137 F 8.71 3.98 0.00 2.74 2.89 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 0.00 138 G 8.15 4.01 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 0.00 139 N 7.75 4.95 0.00 2.92 2.82 0.00 0.00 6.88 6.98 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 0.00 140 Y 8.50 4.10 0.00 2.99 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 0.00 141 M 7.21 4.80 0.00 1.87 1.71 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 142 N 9.17 4.79 0.00 2.83 2.71 0.00 0.00 7.00 8.35 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 0.00 143 I 8.28 4.95 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.91 0.00 0.00 144 D 8.91 4.67 0.00 2.62 2.61 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 0.00 0.00 0.00 0.00 145 V 8.38 4.62 2.14 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 0.87 0.00 0.00 1.00 0.00 0.00 146 T 8.75 4.41 4.33 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 1.22 0.00 0.00 147 N 8.57 4.78 0.00 2.62 2.77 0.00 0.00 6.97 8.06 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 0.00 148 D 10.31 4.33 0.00 2.74 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 0.00 149 G 8.64 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 0.00 0.00 0.00 150 P 0.00 4.51 0.00 2.18 2.10 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 151 V 8.01 4.36 2.01 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 1.23 0.00 0.00 0.99 0.00 0.00 152 T 8.64 5.10 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 1.24 0.00 0.00 153 I 8.97 4.64 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.97 0.89 0.00 0.00 154 Y 8.55 5.25 0.00 2.89 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 0.00 155 I 7.50 4.44 1.74 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 1.10 0.61 0.99 0.00 0.00 156 D 8.38 5.22 0.00 2.78 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 0.00 157 T 8.83 3.67 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 1.26 0.00 0.00 158 H 8.07 4.67 0.00 3.23 3.31 0.00 5.63 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 0.00 159 D 7.83 4.54 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.