NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0513 8.1633 120.7053 55.1654 33.8329 173.8765 2 R 4.9487 9.1025 122.0047 51.8144 34.0865 169.7174 3 V 4.9923 8.5583 121.9812 60.0202 35.7095 173.9695 4 V 4.7880 9.0775 124.6440 61.4987 33.5034 174.1503 5 I 4.9963 8.8210 129.5454 59.7472 39.5143 174.6731 6 Q 5.1707 8.9930 126.1192 53.7941 32.1630 174.9516 7 R 4.2867 8.7291 124.9357 56.4340 31.3229 175.6652 8 V 5.0081 9.0127 118.7056 59.8318 35.7062 176.4611 9 K 4.1560 9.1185 122.7178 58.4661 32.9529 176.9152 10 G 4.3827 7.7246 104.5710 45.2272 0.0000 172.2000 11 A 5.2399 8.6705 121.1813 50.3476 23.3219 175.5186 12 I 4.7376 8.8531 122.0261 59.4864 40.6405 174.2432 13 L 4.9676 8.9635 130.6664 53.8691 43.6709 175.5417 14 S 5.3662 9.4329 121.6262 56.9084 67.2326 173.2893 15 V 4.8739 8.7314 116.9644 59.8214 36.0883 176.0713 16 R 4.2385 8.5970 120.7032 56.1967 29.4780 176.6052 *27 L 4.5452 8.2001 122.8615 53.7604 43.1621 176.1485 28 E 4.7222 9.1251 122.6590 54.4721 33.3125 174.4915 29 I 4.5886 8.5029 127.7153 61.4904 37.6225 175.7177 30 I 4.6915 8.6780 117.2168 60.3823 39.2171 175.0552 31 S 4.7021 7.8604 116.5438 57.5305 65.7941 172.2883 32 E 5.3242 8.4470 125.0624 55.1317 32.4609 173.9326 33 I 4.8734 8.7699 119.1457 58.2723 41.6347 175.6606 34 K 4.6402 9.2240 126.3812 55.7372 30.7544 178.3089 35 N 4.5366 8.6280 125.4330 53.3095 39.0734 175.1860 36 G 4.2094 7.2204 108.2549 46.0474 0.0000 170.4056 37 L 5.2214 7.9898 120.0163 53.0264 44.8361 175.4946 38 I 4.5236 8.4932 123.2898 59.5573 40.1808 173.8947 39 C 5.0539 8.7391 127.6196 57.9844 30.7314 173.1492 40 F 4.9121 9.3927 124.8452 56.5899 40.0323 174.7478 41 L 5.0889 9.4330 127.4955 53.2828 44.3661 175.0574 42 G 4.4139 9.6022 115.4039 44.7815 0.0000 171.9481 43 I 5.0063 8.7417 126.4866 60.4188 39.2104 174.8320 44 H 4.0974 9.6616 129.7995 55.1746 31.1643 176.6753 45 K 3.8069 7.8642 124.8378 57.3007 31.4813 178.9238 46 N 5.0636 8.1663 114.5860 52.8105 39.1247 174.3398 47 D 4.7183 7.7346 118.7491 54.3405 41.6054 176.6059 48 T 4.7799 8.8214 114.0559 59.6835 71.1767 175.5063 49 W 4.5772 9.0668 133.0468 61.2677 30.6032 178.2026 50 E 4.0491 8.1305 117.4189 61.0657 28.9562 182.4648 51 D 4.5597 8.2270 119.2982 57.3304 40.9132 178.8079 52 A 3.9975 7.9303 120.7443 55.0507 18.3560 179.3693 53 L 3.4273 7.6851 117.8958 57.8236 41.5768 179.1375 54 Y 3.8263 7.7626 118.9816 60.6978 38.6924 178.0089 55 I 3.6689 7.4959 120.6800 64.6047 37.3028 178.1696 56 I 3.0942 7.4407 120.2750 64.2880 36.7161 178.2715 57 R 3.7793 8.0873 121.9616 60.1793 29.9202 179.4377 58 K 3.9038 7.8640 123.2945 59.6954 31.3964 180.7821 59 C 4.4287 8.2315 116.8763 62.9199 28.2165 175.8074 60 L 4.2462 7.9729 118.6982 56.3326 41.4221 177.3430 61 N 4.8931 7.5013 113.7614 52.6194 40.8881 174.9506 62 L 3.9075 7.9021 119.6942 55.1489 41.9003 176.8089 63 R 4.7672 8.4368 123.3721 55.3595 28.7959 175.8938 64 L 4.4557 8.3488 119.9834 53.7790 43.0001 176.5246 65 W 4.7461 8.4064 121.5635 55.5388 31.9680 175.3896 66 N 5.1289 8.6370 118.1441 50.8643 36.6777 174.9163 *73 D 4.7476 8.3910 123.5021 52.7521 43.3364 175.8731 74 K 4.7534 8.1135 118.1468 54.5553 34.2421 175.7405 75 N 5.5693 8.9118 122.8461 50.7316 40.5667 176.5942 76 V 3.4701 8.5034 119.8483 64.8131 31.1892 178.5976 77 K 3.5316 7.8106 118.4909 59.3331 31.7891 178.5093 78 D 4.3232 8.1905 118.0412 57.3303 40.8854 178.4564 79 L 3.9091 6.9787 115.6627 53.2653 41.8570 175.9730 80 N 4.3745 8.0561 116.0263 53.8929 37.8133 173.5847 81 Y 4.8708 7.7999 113.6308 57.3205 39.6182 174.7359 82 E 4.9068 8.8502 120.0676 55.1114 32.9408 175.2614 83 L 5.1562 8.6577 120.0508 53.0117 45.5349 175.7010 84 L 4.8324 8.7993 126.5898 53.7278 43.4192 175.1418 85 I 4.6204 8.7207 129.3081 59.9025 38.9332 175.1461 86 V 4.6724 8.6844 128.3625 60.5256 34.0899 174.9017 87 S 4.6871 8.7258 123.3025 58.8055 63.7631 174.7119 88 Q 4.4286 9.5176 125.2155 54.2746 29.1718 174.8349 89 F 4.5291 8.3001 119.3379 59.2073 38.7414 178.3606 90 T 3.9598 6.9268 111.0793 63.9174 68.3240 175.6117 91 L 3.9602 7.5714 120.9439 56.8677 41.6564 177.5809 92 F 4.7760 8.7026 116.4813 56.8262 39.1736 175.8065 93 G 3.4326 8.3715 111.3651 45.8328 0.0000 172.9370 94 N 4.6095 9.2213 126.3335 52.8377 39.5380 175.2314 95 T 4.4831 8.2260 113.4668 61.0931 69.8664 174.7907 96 K 3.9778 8.2850 125.4933 59.8470 32.6358 178.5669 97 K 4.5018 7.7882 117.7760 51.9755 31.7087 175.7303 98 G 4.1668 7.6170 107.2620 44.1608 0.0000 172.3118 99 N 4.5378 8.5411 115.7064 52.8145 38.7145 175.3686 100 K 4.3543 7.5861 120.5845 53.4033 32.4877 173.7730 101 P 4.3675 0.0000 0.0000 62.8285 31.7449 175.4910 102 D 4.5008 8.1353 119.7616 51.4896 42.2711 175.9777 103 F 5.4528 8.1534 118.4141 57.4922 39.6407 177.0075 104 H 4.3929 8.1604 118.6925 58.6176 29.1831 177.7195 105 L 3.9260 7.9672 118.4062 56.4232 41.9415 176.3895 106 A 4.1426 7.4824 121.6286 51.1746 18.6793 177.5500 107 K 3.7611 8.2588 124.7655 56.6330 32.9005 176.2155 108 E 3.9637 8.8977 127.3057 56.1748 30.4592 175.7544 109 P 4.3990 0.0000 0.0000 65.9698 30.8855 178.8073 110 N 4.3312 8.3953 115.0523 56.2964 38.5999 177.3810 111 E 4.0120 8.2435 118.9989 59.3086 29.5647 179.1552 112 A 4.1356 8.3569 121.1138 55.1872 18.3780 179.3277 113 L 2.9351 7.6217 118.2296 58.0542 41.9918 179.2411 114 I 3.6758 7.3719 119.0092 64.3223 37.0415 177.9428 115 F 3.9977 8.5567 121.6094 61.5933 39.1433 176.2957 116 Y 4.3798 8.9128 119.2628 61.1368 38.6220 177.8963 117 N 4.3846 8.8599 119.9381 56.9490 38.6588 178.0811 118 K 3.9246 8.4847 125.3764 59.9248 31.7289 180.9759 119 I 4.0301 8.2884 121.6042 64.3905 37.0283 178.6485 120 I 3.8711 8.0769 120.9984 64.3857 36.7754 178.1948 121 D 4.3770 8.3406 119.8563 57.4111 40.6922 178.4593 122 E 3.9981 8.3682 119.7602 59.2385 29.6254 178.7099 123 F 4.1457 8.2806 117.8076 60.7915 38.8248 177.9037 124 K 4.1807 8.1732 119.0578 59.9188 31.8705 179.9923 125 K 4.2130 8.2083 123.7022 59.7635 31.8066 181.1888 126 Q 4.5295 8.5248 117.3463 55.5918 29.1733 175.7556 127 Y 4.8281 8.5424 119.5532 57.9156 39.5743 176.3260 128 N 4.8073 8.7497 110.8222 50.8989 42.5867 177.2089 129 D 4.3483 8.8493 122.9352 56.6879 41.3903 177.4752 130 D 4.3357 7.8647 115.3927 55.4378 41.6282 176.2142 131 K 4.1250 7.7221 117.2492 56.8741 32.6151 175.4897 132 I 4.6639 6.9882 120.1436 59.6394 38.1925 175.4356 133 K 4.6554 9.0821 127.7749 55.1722 34.3236 175.8705 134 I 5.1813 7.5598 114.4829 58.5383 41.3815 174.0456 135 G 4.0453 8.1423 109.6107 44.4051 0.0000 173.4126 136 K 4.3662 8.4033 120.9038 54.7083 31.4205 175.6459 137 F 3.9268 8.6906 129.0113 59.7064 39.5025 175.7083 138 G 3.9837 8.2043 115.4588 45.5666 0.0000 172.8977 139 N 4.9157 7.5545 116.5349 51.3814 40.3291 174.3109 140 Y 4.1033 8.4636 122.0439 58.0646 39.4887 175.1250 141 M 4.9168 7.2649 125.1830 53.4033 36.3355 174.0525 142 N 4.7392 9.1981 121.2023 51.9835 41.2413 173.4318 143 I 4.9343 8.2664 127.0327 59.5918 39.7601 174.9366 144 D 4.6549 8.8103 128.8091 53.6273 41.8985 175.8964 145 V 4.6226 8.3766 123.5926 61.4527 34.1530 175.4285 146 T 4.3981 8.7856 125.5715 62.2149 68.5908 173.1250 147 N 4.7813 8.5706 123.8729 53.2122 39.7821 174.5959 148 D 4.2974 10.0987 125.0154 55.5972 41.3898 174.3035 149 G 3.6741 8.8055 116.3890 44.4000 0.0000 171.6000 150 P 4.5661 0.0000 0.0000 60.2709 33.2129 175.5791 151 V 4.2633 7.9697 116.7561 61.6158 34.1936 173.8235 152 T 5.0735 8.5874 124.7702 61.8345 70.6354 173.8793 153 I 4.6672 8.9773 127.3617 59.5454 40.6316 173.9600 154 Y 5.1991 8.6067 125.7996 55.9338 41.7379 174.6196 155 I 4.4765 7.4806 125.4868 59.4358 41.8698 173.5387 156 D 5.1916 8.3987 126.1557 52.4416 43.0667 176.4285 157 T 3.6912 8.8297 117.6118 64.1030 69.2895 175.1079 158 H 4.6781 8.0471 117.9570 56.1099 28.5482 175.0364 159 D 4.5513 7.7615 125.6823 54.4668 40.8435 176.2420 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 5.05 0.00 1.73 2.02 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 9.10 4.95 0.00 1.37 1.64 0.00 2.21 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 3 V 8.56 4.99 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 0.66 0.00 0.00 1.07 0.00 0.00 4 V 9.08 4.79 2.25 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 0.95 0.00 0.00 1.09 0.00 0.00 5 I 8.82 5.00 1.88 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 1.25 0.53 0.89 0.00 0.00 6 Q 8.99 5.17 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 7 R 8.73 4.29 0.00 1.57 1.77 0.00 2.21 0.00 0.00 2.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.00 8 V 9.01 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 0.71 0.00 0.00 1.02 0.00 0.00 9 K 9.12 4.16 0.00 1.61 1.85 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.42 7.81 10 G 7.72 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 0.00 0.00 0.00 0.00 11 A 8.67 5.24 1.17 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 0.00 0.00 12 I 8.85 4.74 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 1.10 0.68 0.91 0.00 0.00 13 L 8.96 4.97 0.00 1.67 1.51 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.43 5.37 0.00 3.75 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 15 V 8.73 4.87 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 0.74 0.00 0.00 1.02 0.00 0.00 16 R 8.60 4.24 0.00 1.83 1.74 0.00 3.30 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 *27 L 8.20 4.55 0.00 1.58 1.71 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.13 4.72 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 2.21 2.29 0.00 29 I 8.50 4.59 1.88 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 1.41 0.66 1.00 0.00 0.00 30 I 8.68 4.69 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.93 0.00 0.00 31 S 7.86 4.70 0.00 3.89 3.67 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 32 E 8.45 5.32 0.00 1.96 1.73 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 2.18 2.47 0.00 33 I 8.77 4.87 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 1.19 0.58 0.92 0.00 0.00 34 K 9.22 4.64 0.00 1.67 1.22 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.51 7.81 35 N 8.63 4.54 0.00 1.44 1.45 0.00 0.00 6.65 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 7.22 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.99 5.22 0.00 1.65 1.58 1.05 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.49 4.52 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 0.23 1.45 1.01 0.00 0.00 39 C 8.74 5.05 0.00 2.75 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 40 F 9.39 4.91 0.00 2.92 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 9.43 5.09 0.00 1.81 1.75 1.21 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.60 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 0.00 0.00 0.00 0.00 43 I 8.74 5.01 2.03 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.67 0.00 0.00 44 H 9.66 4.10 0.00 3.13 3.40 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 7.86 3.81 0.00 1.80 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.31 7.81 46 N 8.17 5.06 0.00 2.66 2.83 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 7.73 4.72 0.00 2.46 2.38 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 48 T 8.82 4.78 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 1.30 0.00 0.00 49 W 9.07 4.58 0.00 3.37 3.16 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 50 E 8.13 4.05 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 8.23 4.56 0.00 3.09 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 52 A 7.93 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.69 3.43 0.00 1.59 1.55 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.76 3.83 0.00 3.19 3.08 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 55 I 7.50 3.67 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.90 1.01 0.00 0.00 56 I 7.44 3.09 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 0.31 0.11 0.00 0.00 57 R 8.09 3.78 0.00 1.84 1.81 0.00 3.00 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 58 K 7.86 3.90 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 59 C 8.23 4.43 0.00 3.39 3.20 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 60 L 7.97 4.25 0.00 1.67 1.64 1.00 0.94 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 61 N 7.50 4.89 0.00 2.64 2.76 0.00 0.00 6.99 7.82 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 62 L 7.90 3.91 0.00 1.76 1.58 0.91 0.59 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 8.44 4.77 0.00 1.81 2.07 0.00 3.17 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 64 L 8.35 4.46 0.00 0.73 1.11 0.69 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.41 4.75 0.00 3.62 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 66 N 8.64 5.13 0.00 2.72 2.63 0.00 0.00 6.61 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 *73 D 8.39 4.75 0.00 2.67 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 74 K 8.11 4.75 0.00 1.95 1.67 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.49 7.81 75 N 8.91 5.57 0.00 3.13 3.16 0.00 0.00 6.61 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 76 V 8.50 3.47 2.49 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 1.00 0.00 0.00 1.18 0.00 0.00 77 K 7.81 3.53 0.00 1.74 1.60 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.07 7.81 78 D 8.19 4.32 0.00 2.69 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 79 L 6.98 3.91 0.00 0.27 0.13 0.26 0.67 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 80 N 8.06 4.37 0.00 2.67 2.83 0.00 0.00 7.18 7.67 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 81 Y 7.80 4.87 0.00 2.67 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 82 E 8.85 4.91 0.00 1.92 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 2.22 2.29 0.00 83 L 8.66 5.16 0.00 1.40 1.28 1.10 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.80 4.83 0.00 1.68 1.44 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.72 4.62 1.79 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.36 0.97 0.00 0.00 86 V 8.68 4.67 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 0.93 0.00 0.00 0.73 0.00 0.00 87 S 8.73 4.69 0.00 3.43 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 88 Q 9.52 4.43 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 89 F 8.30 4.53 0.00 3.34 3.31 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 0.00 90 T 6.93 3.96 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 0.36 0.00 0.00 91 L 7.57 3.96 0.00 1.52 1.46 0.98 0.85 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 92 F 8.70 4.78 0.00 3.40 3.20 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 93 G 8.37 3.43 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 94 N 9.22 4.61 0.00 2.68 2.91 0.00 0.00 6.30 6.75 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 95 T 8.23 4.48 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 1.15 0.00 0.00 96 K 8.28 3.98 0.00 1.83 1.90 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.38 7.81 97 K 7.79 4.50 0.00 1.73 1.59 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.96 7.81 98 G 7.62 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 0.00 0.00 0.00 0.00 99 N 8.54 4.54 0.00 2.71 2.84 0.00 0.00 6.71 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 0.00 100 K 7.59 4.35 0.00 1.67 1.69 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 101 P 0.00 4.37 0.00 1.76 1.93 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 102 D 8.14 4.50 0.00 2.67 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 0.00 103 F 8.15 5.45 0.00 3.14 3.28 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 0.00 104 H 8.16 4.39 0.00 3.11 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.97 3.93 0.00 1.68 1.38 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.48 4.14 1.47 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 0.00 0.00 107 K 8.26 3.76 0.00 1.87 1.81 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.50 7.81 108 E 8.90 3.96 0.00 2.03 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 0.00 2.38 2.30 0.00 109 P 0.00 4.40 0.00 2.23 2.20 0.00 3.62 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 2.07 2.10 0.00 110 N 8.40 4.33 0.00 3.24 2.85 0.00 0.00 6.95 7.82 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 0.00 111 E 8.24 4.01 0.00 2.08 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 0.00 2.36 2.57 0.00 112 A 8.36 4.14 1.67 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 0.00 0.00 113 L 7.62 2.94 0.00 0.87 1.53 0.37 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.37 3.68 2.07 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 0.46 0.90 0.00 0.00 115 F 8.56 4.00 0.00 3.43 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 0.00 116 Y 8.91 4.38 0.00 3.47 3.35 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 0.00 117 N 8.86 4.38 0.00 2.94 2.89 0.00 0.00 7.21 8.40 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 0.00 118 K 8.48 3.92 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 119 I 8.29 4.03 2.16 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 1.45 0.98 1.00 0.00 0.00 120 I 8.08 3.87 1.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.49 0.90 0.00 0.00 121 D 8.34 4.38 0.00 2.91 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 0.00 122 E 8.37 4.00 0.00 2.38 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 0.00 2.17 2.26 0.00 123 F 8.28 4.15 0.00 3.31 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 0.00 124 K 8.17 4.18 0.00 1.94 1.90 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.72 7.81 125 K 8.21 4.21 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 8.52 4.53 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 127 Y 8.54 4.83 0.00 2.99 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 8.75 4.81 0.00 2.65 2.60 0.00 0.00 6.20 8.07 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 0.00 129 D 8.85 4.35 0.00 2.73 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 0.00 130 D 7.86 4.34 0.00 2.60 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 0.00 131 K 7.72 4.13 0.00 1.14 1.43 0.00 1.61 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 0.93 0.72 7.81 132 I 6.99 4.66 1.85 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 1.39 1.02 0.80 0.00 0.00 133 K 9.08 4.66 0.00 1.77 1.68 0.00 1.45 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.40 7.81 134 I 7.56 5.18 2.12 0.00 0.00 1.00 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 1.55 0.91 0.00 0.00 135 G 8.14 4.05 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 0.00 0.00 0.00 136 K 8.40 4.37 0.00 1.84 1.76 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.48 7.81 137 F 8.69 3.93 0.00 2.77 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 0.00 138 G 8.20 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 0.00 0.00 0.00 139 N 7.55 4.92 0.00 2.91 2.81 0.00 0.00 6.89 7.62 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 0.00 140 Y 8.46 4.10 0.00 2.97 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 0.00 141 M 7.26 4.92 0.00 1.76 1.70 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 142 N 9.20 4.74 0.00 2.82 2.70 0.00 0.00 6.98 7.85 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 0.00 143 I 8.27 4.93 1.91 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 1.30 0.76 0.91 0.00 0.00 144 D 8.81 4.65 0.00 2.63 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 2.13 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 0.87 0.00 0.00 1.06 0.00 0.00 146 T 8.79 4.40 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 2.61 2.76 0.00 0.00 6.98 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 10.10 4.30 0.00 2.89 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 0.00 149 G 8.81 3.67 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 0.00 0.00 0.00 150 P 0.00 4.57 0.00 2.15 2.07 0.00 3.04 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 151 V 7.97 4.26 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 0.87 0.00 0.00 0.84 0.00 0.00 152 T 8.59 5.07 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 1.24 0.00 0.00 153 I 8.98 4.67 1.87 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 1.07 1.07 0.92 0.00 0.00 154 Y 8.61 5.20 0.00 2.91 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 0.00 155 I 7.48 4.48 1.76 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 1.12 0.49 1.00 0.00 0.00 156 D 8.40 5.19 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 3.69 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 1.34 0.00 0.00 158 H 8.05 4.68 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 7.76 4.55 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.