NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2644 8.2393 120.8552 55.7757 31.9136 175.9821 5 P 4.3121 0.0000 0.0000 61.7782 32.0233 173.8622 6 S 4.6150 9.0170 114.5096 56.7114 66.3303 174.4459 7 L 4.9923 8.1787 125.9807 52.1515 45.4312 176.4540 8 S 4.7828 8.9361 119.3123 56.5835 65.2115 173.7927 9 P 4.5233 0.0000 0.0000 65.8946 31.0254 179.0459 10 R 4.0406 8.1266 114.2051 59.5267 29.2618 178.4893 11 E 4.0113 8.2991 119.3166 59.0411 29.5103 179.2693 12 A 4.2317 8.6840 121.2370 55.0675 18.4297 179.7534 13 R 3.6656 8.8298 117.6762 59.7926 30.2513 178.4572 14 D 4.4120 8.4885 119.0004 57.3870 40.8140 178.8254 15 R 4.0038 8.5043 119.4224 59.5878 30.1140 177.9551 16 Y 3.9476 8.3988 119.3063 60.7441 38.9893 177.9638 17 L 3.7379 8.0061 119.6719 57.6890 41.4714 179.4319 18 A 3.9576 7.7638 119.7577 55.3827 18.3894 178.8496 19 H 4.1279 8.0234 115.8383 59.1398 30.1324 177.0919 20 R 4.0005 7.7153 118.5156 57.2021 29.8130 178.2173 21 Q 4.2046 7.2976 116.5925 56.8385 28.7832 176.0246 22 T 4.4615 8.1160 114.4589 61.5853 69.4072 174.0657 23 D 4.9061 7.9974 118.3376 52.3824 40.0867 174.8498 24 A 4.5881 7.7345 120.0945 49.9788 22.4325 177.3394 25 A 4.1933 8.1974 122.4562 51.6608 20.6182 178.6646 26 D 4.2067 8.5758 120.7210 57.6487 40.8340 179.4037 27 A 3.9257 7.7840 120.5766 55.1060 18.3549 179.7505 28 S 3.5658 7.6648 113.2504 61.4406 62.8487 176.7012 29 I 3.3726 7.1713 122.2977 64.1746 36.8393 178.6156 30 K 3.4278 7.6693 119.1577 59.2853 31.7158 179.5552 31 S 4.0553 7.6914 115.3199 61.5758 62.6700 176.7501 32 F 4.4795 7.9768 120.8128 60.5753 38.6465 177.6456 33 R 3.8009 8.0902 118.6075 59.7229 29.6694 178.1356 34 Y 4.4312 7.6142 115.3006 61.2389 38.0972 178.6545 35 R 4.2870 8.4292 119.1264 59.4470 30.2348 179.0516 36 L 4.2204 8.2378 118.0782 56.6729 41.5425 179.1837 37 K 3.9611 8.1480 120.4432 59.8874 32.0915 178.3657 38 H 4.7248 7.9754 116.4537 58.3282 28.6203 177.6378 39 F 3.8353 8.3275 122.1360 61.0708 39.2748 177.2159 40 V 3.7966 8.3587 118.4130 66.0544 31.1061 177.8244 41 E 3.9829 8.3211 117.4083 59.1279 29.4839 178.8709 42 W 3.9074 8.2797 129.1599 60.0037 30.7127 177.7681 43 A 3.3810 8.4436 120.9300 55.0671 17.8070 179.4389 44 E 3.8277 8.3250 117.2974 59.6623 29.3252 179.5420 45 E 3.9911 8.0136 117.3363 58.5629 29.4453 178.4593 46 R 4.0831 6.8945 116.2678 54.8789 30.2794 175.7751 47 D 4.2218 7.4593 116.9396 55.3531 38.7892 174.5217 48 I 4.2148 7.6702 121.7091 60.6001 36.3433 176.1514 49 T 4.3140 8.4503 116.3618 62.2756 70.3964 174.2822 50 A 4.8021 7.3997 126.9013 50.4338 19.4071 176.8112 *52 R 4.2274 8.5524 111.3956 56.9354 31.8560 177.9420 53 E 4.0881 8.0477 116.0509 58.3853 29.6873 177.4710 54 L 4.2651 7.0476 119.4245 55.1744 42.2555 176.6182 55 T 4.8826 8.2061 110.9698 59.2443 73.3728 175.0479 56 G 3.6890 8.7271 107.0319 47.6154 0.0000 175.5661 57 W 4.2694 8.2739 130.0536 60.4471 30.8844 178.1080 58 K 4.1113 8.2867 118.2461 59.5217 31.4371 179.3921 59 L 4.1034 8.3436 119.5383 57.8496 41.5302 179.0774 60 D 4.2434 8.2721 118.0746 57.1449 41.1055 178.1315 61 E 3.7229 7.9321 119.3097 59.3553 29.3766 178.6773 62 Y 2.9357 7.7702 119.4708 60.1906 38.6962 177.5029 63 E 3.6814 8.1908 120.3075 59.7412 29.4885 179.0058 64 T 3.7588 7.6231 114.3047 66.2973 68.7345 176.1418 65 F 4.2862 8.1134 122.5766 61.5602 39.4671 177.4946 66 R 3.3804 7.6435 117.6879 58.9269 29.5367 178.9813 67 R 3.9742 7.7989 117.6188 58.3435 30.1030 177.6968 68 G 3.8237 7.4112 103.7458 45.1974 0.0000 173.7204 69 S 4.4250 7.5015 116.0671 57.3434 65.1249 173.8113 70 D 4.6934 8.2921 119.8563 54.3069 40.6483 177.2925 71 V 3.7969 7.0847 119.5745 61.3813 32.2050 176.9778 72 S 4.4188 8.3068 117.9548 57.3512 64.8767 173.6638 73 P 4.1762 0.0000 0.0000 66.3056 30.7353 178.5487 74 A 3.9661 7.9302 119.9176 55.2156 18.4636 179.6331 75 T 3.8860 7.8077 113.7986 66.5394 68.3961 176.6758 76 L 3.9537 7.9586 121.6908 58.1094 42.1694 178.4217 77 N 4.5719 8.2708 115.8843 56.4284 38.9051 177.4438 78 G 3.8214 7.9837 106.6790 47.3285 0.0000 174.8360 79 E 4.1088 7.8260 119.2512 56.9922 29.4100 177.9103 *81 Q 4.2514 8.0106 120.4602 55.9907 31.0045 177.3721 82 T 3.7948 7.8892 114.4058 66.2620 68.3610 176.4848 83 L 3.9767 8.0585 122.3986 57.9507 42.1023 178.9275 84 K 3.8509 7.8839 118.9546 59.7767 32.2801 178.3799 85 N 4.5190 8.3952 116.9617 55.8160 38.3678 177.3032 86 W 3.2860 8.0992 130.0536 60.3310 30.7116 178.1583 87 L 3.6139 7.8285 118.7861 57.5195 40.9182 179.4147 88 E 3.9092 8.1207 118.8283 59.3467 29.4338 178.6769 89 Y 4.1812 7.9562 119.4438 60.8988 38.9563 178.1863 90 L 3.5724 7.8843 119.5737 57.4683 41.5888 179.4554 91 A 4.0731 8.1580 121.2695 55.0410 18.0724 179.6136 92 R 3.8612 7.7713 116.6222 58.8977 30.1263 177.6842 93 I 4.1585 7.0208 110.5044 60.2806 38.0546 175.3143 94 D 4.3773 7.4620 117.2139 55.9429 38.6739 175.1603 95 V 3.7855 7.9778 121.3987 64.3333 31.8493 175.9625 96 V 4.4463 7.0882 116.6735 60.2821 34.9581 174.0986 97 D 4.4351 8.5301 122.7544 54.5219 41.0554 178.1127 98 E 3.9646 8.8023 121.1560 58.8344 29.6767 177.2743 99 D 4.7344 7.8744 117.0840 53.0232 40.0797 176.9837 100 L 4.1069 8.0230 124.3235 57.7242 42.6188 177.0301 101 P 4.2078 0.0000 0.0000 65.7123 30.9808 177.9360 102 E 4.0386 8.0406 115.3316 58.5152 29.6533 177.5407 103 K 4.1806 8.0680 117.7802 56.7729 32.3565 176.7932 104 V 3.8033 7.4740 120.4680 62.1538 31.5727 174.7686 105 H 4.3906 8.7923 127.9816 55.3096 29.8626 174.6894 106 V 4.0786 7.9326 128.1221 60.2906 31.0992 173.5619 107 P 4.3530 0.0000 0.0000 62.8412 31.2439 176.5021 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 4 R 8.24 4.26 0.00 1.75 2.00 0.00 3.24 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 5 P 0.00 4.31 0.00 2.26 2.01 0.00 3.74 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 2.07 1.97 0.00 6 S 9.02 4.62 0.00 3.77 3.70 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 7 L 8.18 4.99 0.00 1.69 1.53 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.94 4.78 0.00 4.10 4.04 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 9 P 0.00 4.52 0.00 2.34 2.50 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 10 R 8.13 4.04 0.00 2.11 2.41 0.00 3.01 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 11 E 8.30 4.01 0.00 2.28 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 0.00 2.39 2.39 0.00 12 A 8.68 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.83 3.67 0.00 2.01 2.20 0.00 3.23 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.67 0.00 14 D 8.49 4.41 0.00 2.93 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 15 R 8.50 4.00 0.00 2.23 2.38 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 16 Y 8.40 3.95 0.00 3.57 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 17 L 8.01 3.74 0.00 1.71 1.63 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.76 3.96 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 19 H 8.02 4.13 0.00 3.02 3.12 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.72 4.00 0.00 1.55 1.85 0.00 3.10 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.75 0.00 21 Q 7.30 4.20 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 22 T 8.12 4.46 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 1.15 0.00 0.00 23 D 8.00 4.91 0.00 2.72 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 24 A 7.73 4.59 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 25 A 8.20 4.19 1.20 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 26 D 8.58 4.21 0.00 2.66 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 27 A 7.78 3.93 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 28 S 7.66 3.57 0.00 3.66 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 29 I 7.17 3.37 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.79 0.00 0.00 30 K 7.67 3.43 0.00 1.71 1.26 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.46 7.81 31 S 7.69 4.06 0.00 3.73 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 32 F 7.98 4.48 0.00 3.08 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 33 R 8.09 3.80 0.00 1.75 1.71 0.00 3.01 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 34 Y 7.61 4.43 0.00 3.09 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 35 R 8.43 4.29 0.00 2.09 2.10 0.00 3.38 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 36 L 8.24 4.22 0.00 1.50 1.19 -0.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.15 3.96 0.00 2.05 1.99 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.54 7.81 38 H 7.98 4.72 0.00 3.79 3.70 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.33 3.84 0.00 2.90 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 40 V 8.36 3.80 2.20 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 1.21 0.00 0.00 1.16 0.00 0.00 41 E 8.32 3.98 0.00 2.34 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 2.73 2.66 0.00 42 W 8.28 3.91 0.00 3.43 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 43 A 8.44 3.38 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 0.00 0.00 0.00 0.00 0.00 44 E 8.32 3.83 0.00 2.11 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 2.34 2.63 0.00 45 E 8.01 3.99 0.00 1.92 1.85 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 2.41 2.45 0.00 46 R 6.89 4.08 0.00 1.12 1.39 0.00 3.10 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 47 D 7.46 4.22 0.00 2.76 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 48 I 7.67 4.21 1.88 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.28 0.98 0.00 0.00 49 T 8.45 4.31 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 1.19 0.00 0.00 50 A 7.40 4.80 1.19 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 *52 R 8.55 4.23 0.00 1.98 1.95 0.00 3.16 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 53 E 8.05 4.09 0.00 2.16 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 0.00 2.34 2.33 0.00 54 L 7.05 4.27 0.00 1.79 1.65 0.86 1.09 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 55 T 8.21 4.88 4.35 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 1.34 0.00 0.00 56 G 8.73 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 57 W 8.27 4.27 0.00 3.47 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 58 K 8.29 4.11 0.00 2.20 2.19 0.00 1.95 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.76 7.81 59 L 8.34 4.10 0.00 1.88 1.76 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.27 4.24 0.00 2.82 2.59 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 0.00 0.00 0.00 0.00 61 E 7.93 3.72 0.00 2.31 2.16 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 1.47 1.97 0.00 62 Y 7.77 2.94 0.00 1.54 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 63 E 8.19 3.68 0.00 2.05 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 0.00 2.24 2.32 0.00 64 T 7.62 3.76 4.30 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 1.17 0.00 0.00 65 F 8.11 4.29 0.00 3.01 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 66 R 7.64 3.38 0.00 1.58 1.66 0.00 2.89 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.26 0.00 67 R 7.80 3.97 0.00 1.85 2.00 0.00 3.19 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 68 G 7.41 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 0.00 0.00 0.00 69 S 7.50 4.42 0.00 3.80 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 70 D 8.29 4.69 0.00 2.63 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 71 V 7.08 3.80 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 0.62 0.00 0.00 0.89 0.00 0.00 72 S 8.31 4.42 0.00 3.87 3.80 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 73 P 0.00 4.18 0.00 2.24 2.30 0.00 3.68 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 2.06 2.03 0.00 74 A 7.93 3.97 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 75 T 7.81 3.89 4.35 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 1.22 0.00 0.00 76 L 7.96 3.95 0.00 1.55 1.84 0.82 1.21 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 77 N 8.27 4.57 0.00 2.89 2.87 0.00 0.00 7.03 8.41 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 78 G 7.98 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 0.00 0.00 0.00 79 E 7.83 4.11 0.00 2.32 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 0.00 2.48 2.45 0.00 *81 Q 8.01 4.25 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 82 T 7.89 3.79 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 1.10 0.00 0.00 83 L 8.06 3.98 0.00 1.90 1.69 0.47 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.88 3.85 0.00 1.88 1.98 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.57 7.81 85 N 8.40 4.52 0.00 2.79 2.87 0.00 0.00 6.73 8.15 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 86 W 8.10 3.29 0.00 2.65 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 87 L 7.83 3.61 0.00 1.69 1.49 0.72 0.13 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 88 E 8.12 3.91 0.00 2.21 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 0.00 2.30 2.62 0.00 89 Y 7.96 4.18 0.00 3.20 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 90 L 7.88 3.57 0.00 1.54 1.41 0.12 0.68 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 91 A 8.16 4.07 1.28 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 0.00 0.00 92 R 7.77 3.86 0.00 1.82 2.10 0.00 3.29 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 93 I 7.02 4.16 1.69 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.61 0.00 0.00 94 D 7.46 4.38 0.00 2.82 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 95 V 7.98 3.79 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 0.61 0.00 0.00 0.87 0.00 0.00 96 V 7.09 4.45 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 0.79 0.00 0.00 0.70 0.00 0.00 97 D 8.53 4.44 0.00 2.74 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 98 E 8.80 3.96 0.00 2.04 2.06 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 2.25 2.23 0.00 99 D 7.87 4.73 0.00 2.79 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 0.00 100 L 8.02 4.11 0.00 1.72 1.68 0.97 0.82 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 0.00 101 P 0.00 4.21 0.00 2.20 2.23 0.00 3.70 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 2.04 1.92 0.00 102 E 8.04 4.04 0.00 2.09 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 0.00 2.27 2.40 0.00 103 K 8.07 4.18 0.00 1.90 1.92 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.51 7.81 104 V 7.47 3.80 2.16 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 0.72 0.00 0.00 0.93 0.00 0.00 105 H 8.79 4.39 0.00 3.15 3.43 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.93 4.08 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 0.93 0.00 0.00 0.91 0.00 0.00 107 P 0.00 4.35 0.00 2.22 2.06 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.