NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4049 8.3049 120.3298 55.3429 32.3152 174.8397 4 E 4.2738 8.3583 124.3440 53.5832 31.2114 174.0718 5 D 4.4533 9.3633 120.5096 53.7850 42.5298 174.7788 6 P 4.3105 0.0000 0.0000 65.3836 31.2048 178.0140 7 F 3.9415 8.6637 120.2229 61.6218 39.0604 177.3252 8 F 4.2445 7.2073 115.9317 60.3930 38.6470 177.7330 9 V 3.5613 7.7639 117.4273 66.2095 31.3925 178.1444 10 V 3.5831 7.8074 117.8058 65.6464 31.2043 177.9425 11 K 3.7852 8.0846 120.1216 59.2943 31.9246 178.9588 12 G 3.6091 8.2067 106.1762 47.8597 0.0000 175.4822 13 E 3.9891 8.0565 120.8814 59.0639 29.4911 179.6203 14 V 3.6051 8.0709 118.4021 66.2037 31.6774 177.9524 15 Q 4.0983 8.4524 118.1068 58.8633 28.5563 178.8797 16 K 3.8555 8.1028 120.2319 59.6686 32.2634 178.7396 17 A 4.2691 8.0061 122.2765 54.4268 18.2322 179.7438 18 V 3.4783 8.3047 117.1589 66.4443 31.7762 178.1691 19 N 4.7368 8.0743 117.4467 56.0086 38.3029 177.7108 20 T 3.9202 8.0604 117.1879 66.4490 68.4625 176.7117 21 A 4.0340 8.5797 123.0932 55.3212 17.9734 179.7121 22 Q 4.1091 8.6687 117.1925 59.0244 28.7348 179.3526 23 G 3.7052 8.1382 106.6503 47.8699 0.0000 175.8951 24 L 4.2006 8.2448 121.4170 57.2486 41.4941 179.3309 25 F 4.4959 8.6277 121.3007 60.9964 39.2534 177.3809 26 Q 3.9833 8.1611 117.9432 58.8802 28.5189 178.5364 27 R 3.8547 8.0101 119.6264 59.2007 29.9394 177.9715 28 W 4.1774 8.4238 127.0426 61.0267 31.0317 177.6211 29 T 3.6453 8.0893 115.5669 66.4507 67.9349 176.1735 30 E 3.8498 8.0076 121.0913 59.2836 29.7147 178.6261 31 L 4.1045 7.9749 117.8744 56.4411 41.3818 178.9564 32 L 3.6904 7.0425 118.3552 56.9832 41.5038 178.7153 33 Q 4.0311 7.5113 117.3776 59.0336 29.1974 177.0657 34 G 3.7699 8.4110 106.7169 43.4579 0.0000 171.8020 35 P 4.4339 0.0000 0.0000 64.8459 31.5227 178.6893 36 S 4.3241 8.1044 111.3856 60.2099 63.1152 174.6111 37 A 4.5358 8.0231 121.5229 51.8393 20.1308 176.0705 38 A 4.8870 7.3522 118.2839 49.7601 22.6677 175.7022 39 T 4.2955 8.5176 111.2300 60.4638 71.6317 176.2453 40 R 3.7714 8.2630 121.2294 59.7681 29.9693 178.3620 41 E 3.3179 7.8036 117.6377 59.2837 29.3276 179.1183 42 E 4.1896 7.9052 118.4830 59.3354 29.4751 179.4797 43 I 3.7330 7.5138 119.4511 64.5356 37.1230 178.2812 44 D 4.3850 7.7729 119.3026 56.9689 40.5780 178.8453 45 W 4.4474 8.2160 119.7036 60.1821 29.0749 178.5476 46 T 4.0195 8.2598 115.5066 67.1024 67.9070 176.6345 47 T 3.9899 8.1037 117.3554 66.8448 68.4778 176.3386 48 N 4.3711 8.4385 118.2065 56.6382 38.6534 177.4537 49 E 4.0218 8.5158 119.9594 59.2117 29.5027 179.2537 50 L 3.9949 8.2660 120.7174 58.2526 42.1193 179.3058 51 R 3.9535 8.3209 118.2610 59.0145 29.8842 178.7245 52 N 4.3522 8.4538 116.8167 56.5179 38.2412 177.2144 53 N 4.3580 8.1719 117.7710 56.1759 38.6236 177.5001 54 L 3.9439 7.8437 120.3769 57.7704 41.7428 179.5075 55 R 3.8613 8.1525 118.6692 59.4860 30.0419 178.3645 56 S 4.2219 8.3336 112.9936 61.4904 62.3883 176.2029 57 I 3.6985 7.8987 122.3222 64.5311 36.8359 178.0252 58 E 3.8293 8.1463 119.3086 59.4656 29.1854 179.7539 59 W 4.2250 8.1580 118.6534 59.8376 29.1429 178.4649 60 D 4.4640 8.4506 118.9554 57.4308 40.1971 178.8641 61 L 4.0684 8.5998 119.9070 57.5166 41.5410 179.1698 62 E 3.8993 8.3412 119.5549 59.5119 29.6446 178.6763 63 D 4.4721 8.6126 119.2648 57.3969 40.7832 178.8299 64 L 4.1634 8.2656 119.6494 57.4737 41.5753 178.9461 65 D 4.3066 8.5304 118.4973 57.5091 41.1561 177.9967 66 E 3.9395 8.3737 119.7277 59.4048 29.6138 179.0093 67 T 3.9214 7.7276 115.5132 66.7990 68.5058 176.8410 68 I 3.7561 8.0256 121.8243 64.0892 37.0996 178.2654 69 S 4.0831 8.3625 114.5588 61.5751 62.2743 176.4805 70 I 3.6851 7.5014 122.3244 64.4574 36.6679 178.4961 71 V 3.6047 7.3163 117.2518 66.1894 31.3157 177.5729 72 E 4.1238 8.3963 117.5091 58.8359 29.4052 178.6562 73 A 4.2142 7.7868 122.7741 53.7540 18.7553 179.6475 74 N 4.4207 8.2643 112.7694 53.1706 36.7752 178.9975 *79 N 4.5077 9.0355 109.9337 53.2293 38.4368 173.9752 80 L 4.4142 7.4329 120.7596 53.9584 43.7683 176.1797 81 D 4.4394 8.6046 126.0294 54.4768 42.7290 177.2676 82 A 4.0102 8.7060 125.2519 55.6398 18.3556 180.2883 83 T 3.8665 7.7860 107.8249 64.9380 69.0254 176.4707 84 E 3.9199 8.0661 121.7650 58.7286 29.7432 178.3367 85 L 3.8471 8.0089 120.6040 58.1287 42.1312 179.2041 86 S 4.1515 7.9805 114.8029 61.5578 62.7473 176.6942 87 I 3.7866 7.7367 122.5559 64.3847 36.8502 178.7856 88 R 4.0065 8.0728 118.9463 59.2301 29.7867 179.1886 89 K 4.0055 8.1530 118.0793 59.5168 32.0416 179.2821 90 A 4.0247 8.2062 121.0534 54.9126 18.2091 179.4638 91 F 4.1659 8.3265 119.3296 61.4763 39.4290 177.4509 92 I 3.5339 8.0454 119.2888 64.7493 37.1065 178.5383 93 T 3.8202 8.1850 117.0772 66.5794 68.2910 176.9513 94 S 4.0607 8.4776 116.4909 61.8732 63.1738 176.6893 95 T 3.6896 7.7403 119.7684 65.9178 67.9337 176.8968 96 R 3.7592 8.0460 120.3431 59.3213 30.0617 178.8431 97 Q 3.8777 7.8479 118.9285 59.1726 28.8455 178.3313 98 I 3.5713 7.7416 120.8667 64.2907 37.0183 178.6392 99 V 3.4186 7.6128 119.0263 65.8439 31.3089 177.9988 100 R 3.7692 8.1310 118.8153 59.5260 29.8576 178.2151 101 D 4.2725 8.1707 118.7248 57.6503 40.7960 178.7277 102 M 3.4284 7.5072 119.0981 57.9347 31.8118 178.9828 103 K 3.8232 8.0911 118.8877 59.6195 32.1842 179.1670 104 D 4.3734 8.3609 119.4719 57.3985 40.6674 178.8628 105 Q 4.1151 8.1678 118.6701 59.2590 28.5175 178.7857 106 M 3.9452 7.8546 118.7344 58.4828 32.1110 178.7170 107 S 4.3061 8.1819 115.1008 61.5426 62.7851 176.4977 108 A 4.1061 8.1856 122.6026 54.3950 18.4499 178.9192 109 S 4.9073 8.1764 112.9140 58.3665 64.2515 174.3902 110 S 4.2833 7.9522 121.4142 58.6265 62.5668 172.9969 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 3 M 8.30 4.40 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 4 E 8.36 4.27 0.00 2.14 2.04 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 2.31 2.40 0.00 5 D 9.36 4.45 0.00 2.70 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.31 0.00 2.20 2.10 0.00 3.67 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 2.12 2.16 0.00 7 F 8.66 3.94 0.00 2.89 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 8 F 7.21 4.24 0.00 3.21 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 9 V 7.76 3.56 2.22 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 1.03 0.00 0.00 0.97 0.00 0.00 10 V 7.81 3.58 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 1.03 0.00 0.00 0.98 0.00 0.00 11 K 8.08 3.79 0.00 0.79 1.56 0.00 1.18 0.00 0.00 1.47 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.21 7.81 12 G 8.21 3.61 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 0.00 0.00 0.00 13 E 8.06 3.99 0.00 2.19 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 2.57 2.46 0.00 14 V 8.07 3.61 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 0.99 0.00 0.00 1.07 0.00 0.00 15 Q 8.45 4.10 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 16 K 8.10 3.86 0.00 1.91 2.04 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 17 A 8.01 4.27 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.30 3.48 2.22 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 1.06 0.00 0.00 0.91 0.00 0.00 19 N 8.07 4.74 0.00 2.90 2.87 0.00 0.00 6.58 7.20 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 20 T 8.06 3.92 4.51 0.00 0.00 0.00 0.00 0.00 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 21 A 8.58 4.03 1.36 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 22 Q 8.67 4.11 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 23 G 8.14 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 0.00 0.00 0.00 24 L 8.24 4.20 0.00 1.95 1.84 0.99 0.93 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 25 F 8.63 4.50 0.00 3.20 3.29 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 26 Q 8.16 3.98 0.00 2.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 27 R 8.01 3.85 0.00 2.00 2.20 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 28 W 8.42 4.18 0.00 3.35 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.09 3.65 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 1.11 0.00 0.00 30 E 8.01 3.85 0.00 2.01 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 2.26 2.31 0.00 31 L 7.97 4.10 0.00 1.63 1.57 0.94 0.71 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 32 L 7.04 3.69 0.00 1.46 1.44 0.48 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.51 4.03 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.31 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 34 G 8.41 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 0.00 0.00 0.00 35 P 0.00 4.43 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 36 S 8.10 4.32 0.00 3.95 3.97 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 37 A 8.02 4.54 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 38 A 7.35 4.89 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 39 T 8.52 4.30 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 1.21 0.00 0.00 40 R 8.26 3.77 0.00 1.81 1.85 0.00 3.11 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 41 E 7.80 3.32 0.00 1.40 1.12 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 2.07 2.03 0.00 42 E 7.91 4.19 0.00 2.18 2.10 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 0.00 2.63 2.41 0.00 43 I 7.51 3.73 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 0.91 0.00 0.00 44 D 7.77 4.39 0.00 2.55 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 45 W 8.22 4.45 0.00 3.49 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 46 T 8.26 4.02 4.44 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 0.00 0.00 0.00 1.46 0.00 0.00 47 T 8.10 3.99 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 1.31 0.00 0.00 48 N 8.44 4.37 0.00 2.92 2.95 0.00 0.00 7.12 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 49 E 8.52 4.02 0.00 2.13 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 2.53 2.50 0.00 50 L 8.27 3.99 0.00 1.89 1.93 0.98 0.82 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 51 R 8.32 3.95 0.00 2.06 1.97 0.00 3.20 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 52 N 8.45 4.35 0.00 2.92 2.90 0.00 0.00 6.98 6.87 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 53 N 8.17 4.36 0.00 2.76 2.99 0.00 0.00 7.09 6.86 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 54 L 7.84 3.94 0.00 1.80 1.64 0.79 0.71 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 55 R 8.15 3.86 0.00 2.05 2.20 0.00 3.21 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 56 S 8.33 4.22 0.00 4.06 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 57 I 7.90 3.70 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.84 0.00 0.00 58 E 8.15 3.83 0.00 1.95 1.65 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 2.18 2.44 0.00 59 W 8.16 4.23 0.00 3.44 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 60 D 8.45 4.46 0.00 2.87 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 61 L 8.60 4.07 0.00 1.76 1.68 0.78 0.66 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 62 E 8.34 3.90 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 63 D 8.61 4.47 0.00 2.96 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 64 L 8.27 4.16 0.00 1.84 1.92 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.53 4.31 0.00 2.92 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 66 E 8.37 3.94 0.00 2.24 1.98 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 2.33 2.38 0.00 67 T 7.73 3.92 4.47 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 1.23 0.00 0.00 68 I 8.03 3.76 1.99 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 1.34 0.90 0.94 0.00 0.00 69 S 8.36 4.08 0.00 3.96 4.09 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 70 I 7.50 3.69 2.01 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 1.19 0.91 0.00 0.00 71 V 7.32 3.60 2.21 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 0.79 0.00 0.00 0.95 0.00 0.00 72 E 8.40 4.12 0.00 2.10 1.98 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 2.32 2.46 0.00 73 A 7.79 4.21 1.38 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 74 N 8.26 4.42 0.00 2.80 2.22 0.00 0.00 7.08 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 *79 N 9.04 4.51 0.00 2.84 2.93 0.00 0.00 5.79 7.79 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 80 L 7.43 4.41 0.00 1.54 1.56 0.80 1.15 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 81 D 8.60 4.44 0.00 2.71 2.57 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 82 A 8.71 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.79 3.87 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 84 E 8.07 3.92 0.00 2.08 2.10 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 0.00 2.30 2.25 0.00 85 L 8.01 3.85 0.00 1.74 1.80 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.98 4.15 0.00 4.10 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 87 I 7.74 3.79 2.02 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 1.55 0.72 0.98 0.00 0.00 88 R 8.07 4.01 0.00 1.63 1.67 0.00 2.53 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.48 0.00 89 K 8.15 4.01 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 90 A 8.21 4.02 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.33 4.17 0.00 3.29 3.49 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 92 I 8.05 3.53 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.01 0.91 0.00 0.00 93 T 8.19 3.82 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 1.18 0.00 0.00 94 S 8.48 4.06 0.00 3.95 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 95 T 7.74 3.69 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 0.96 0.00 0.00 96 R 8.05 3.76 0.00 1.99 1.89 0.00 3.07 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 97 Q 7.85 3.88 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 98 I 7.74 3.57 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.80 0.00 0.00 99 V 7.61 3.42 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 0.96 0.00 0.00 0.86 0.00 0.00 100 R 8.13 3.77 0.00 1.94 1.95 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 101 D 8.17 4.27 0.00 2.73 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 0.00 102 M 7.51 3.43 0.00 1.40 1.85 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.22 0.00 103 K 8.09 3.82 0.00 1.85 1.77 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.51 7.81 104 D 8.36 4.37 0.00 2.77 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 0.00 105 Q 8.17 4.12 0.00 2.45 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.73 0.00 106 M 7.85 3.95 0.00 1.69 2.08 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.86 0.00 107 S 8.18 4.31 0.00 4.02 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 0.00 108 A 8.19 4.11 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.18 4.91 0.00 4.28 3.90 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 0.00 110 S 7.95 4.28 0.00 4.14 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 * Residues marked with a * may have inaccurate shift predictions.