NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 R 4.2022 8.2549 117.2646 55.2630 31.5451 175.7827 20 P 3.8424 0.0000 0.0000 62.1332 31.5444 170.0197 21 V 4.0986 8.6790 124.3878 62.0065 33.5685 173.8580 22 E 4.9415 8.7355 128.2904 54.2939 32.8042 174.9064 23 L 4.3511 8.6115 128.7759 53.7973 42.1877 176.2186 24 R 4.5038 8.4411 125.5629 54.0123 31.5129 175.0748 25 P 4.3415 0.0000 0.0000 64.3758 32.1130 175.7683 26 D 3.9490 8.3957 118.3281 55.0871 38.8787 172.0305 27 F 4.7581 6.5622 115.6929 55.2850 40.6085 175.9871 28 S 4.7774 9.7991 116.5953 56.5671 65.0390 175.0402 29 L 3.9910 8.6343 121.3784 58.6054 40.9891 179.4756 30 D 4.4139 8.0425 116.2350 57.0406 41.3075 177.5809 31 D 4.4681 8.1317 119.0101 57.1951 41.0473 178.1886 32 A 3.8664 7.9131 120.7950 54.6957 18.5032 180.7136 33 K 4.1718 7.7446 116.3944 56.3679 32.0439 179.6313 *35 V 3.8891 7.7906 119.9725 63.1251 33.4090 176.9606 36 I 3.3931 7.6457 120.6607 64.6359 36.8644 178.1954 37 R 3.9217 7.8547 118.7761 59.5374 29.8509 178.3952 38 A 4.0826 7.8021 119.9964 54.6743 18.3127 179.7455 39 V 3.5512 8.1651 117.4621 66.4798 31.7576 177.7718 40 Y 4.2647 8.0855 116.6600 61.2490 37.3449 178.9642 41 R 4.1222 8.1252 120.8984 58.9924 30.0548 178.4191 42 Q 3.9616 7.8536 118.0409 58.9342 29.2364 177.4095 43 V 3.9068 8.5721 118.6325 64.1124 31.9705 176.3835 44 L 4.6555 8.0314 116.1739 53.8521 43.0213 176.7152 45 G 3.9596 7.8993 105.8297 46.4787 0.0000 172.8707 46 N 5.0073 8.1768 116.8662 51.2822 40.9807 175.3209 47 D 4.7278 8.7865 122.1420 55.4182 41.8348 175.9520 48 Y 5.0200 7.5643 118.6969 56.2423 42.5840 173.8434 49 I 3.9395 7.0906 128.2539 60.7579 38.7887 176.1321 *51 D 4.6863 8.7904 122.0062 55.6745 42.5932 177.5631 52 S 4.1054 8.2178 112.9291 61.4678 62.7624 175.3515 53 E 4.3717 7.7804 115.9605 56.3122 30.1298 176.5917 54 R 3.9555 7.5126 118.9547 56.0107 31.2388 178.3253 55 L 4.4668 8.2659 123.1576 54.2142 38.0040 178.6416 56 K 4.0596 8.0659 121.0529 59.4903 32.6566 179.4785 57 G 3.5608 8.1134 105.2672 47.7129 0.0000 175.2407 58 A 4.1254 8.1501 123.5661 54.9113 18.4984 179.0185 59 E 3.6025 8.6894 117.2292 59.9235 29.6082 179.9099 60 S 4.0927 8.0125 112.3202 61.4967 62.4926 176.2614 61 L 4.0874 7.8441 121.2239 57.4737 41.1075 179.2093 62 L 3.9643 7.8562 120.6212 58.0997 41.6920 179.1773 63 T 4.0191 7.6115 115.0853 66.7667 68.5825 176.3379 64 N 4.5154 7.9503 116.7050 54.3824 38.5404 176.4056 65 G 4.0962 7.6868 107.5872 45.5923 0.0000 174.4775 66 S 4.2877 8.3073 116.4064 60.8300 62.8684 174.3974 67 I 4.6168 7.3546 110.0701 58.5321 40.2533 175.2314 68 S 4.6484 8.1200 116.4044 56.8811 66.1448 175.2323 69 V 3.5874 8.1016 119.9718 66.3039 31.2540 177.5539 70 R 4.0916 7.9724 117.9581 59.6640 29.8395 178.2672 71 E 4.0236 8.0430 117.6932 58.8611 29.4363 178.6573 72 F 4.1593 8.5224 121.2306 61.5659 39.3977 176.8089 73 V 3.3533 8.3912 117.6720 66.4277 31.0964 177.6175 74 R 3.7246 8.0544 117.6936 60.0364 29.6450 178.6217 75 T 3.7998 7.9473 114.3154 66.6828 68.5959 176.5470 76 V 3.6093 7.7930 120.3139 65.6683 31.2975 177.8196 77 A 3.2534 8.0855 119.7846 53.4897 18.1982 178.5955 78 K 4.5888 7.3020 115.2159 55.5545 32.9135 177.2125 79 S 4.5498 7.1976 116.2490 57.6575 65.5208 174.9636 80 E 3.8774 8.6064 121.7474 59.1836 28.9997 179.4324 81 L 3.8084 7.8895 118.8689 58.0601 41.6658 178.8391 82 Y 3.9366 7.7243 119.0962 60.6671 38.8315 178.0363 83 K 3.7597 8.1563 119.5486 59.1397 31.8504 179.1882 84 K 3.0641 7.5089 118.9980 58.9759 32.0696 178.1894 85 K 3.7110 7.1033 118.4672 57.9889 32.2219 177.7525 86 F 4.7287 7.6355 116.1485 57.5245 41.0305 176.9554 87 L 4.3604 7.3766 118.9168 57.2754 42.4386 177.6597 88 Y 4.6152 7.9763 113.8829 60.1586 37.7922 177.0227 89 N 5.0171 8.0432 115.5920 53.1595 40.7846 173.6647 90 N 4.8824 7.8392 113.9847 50.4658 42.9159 174.8165 91 F 4.7709 7.9535 118.7116 57.2878 41.0748 176.5330 92 Q 3.9580 8.9404 122.9549 59.6948 28.8751 178.8191 93 T 3.9428 8.1365 116.2260 66.9808 68.5451 175.9811 94 R 3.9147 8.1610 119.6614 59.4921 29.9972 178.3368 95 V 3.6268 7.7908 117.7688 66.2347 31.5014 178.0876 96 I 3.7956 7.9822 119.4294 64.3898 36.9275 178.2644 97 E 4.0391 8.1407 119.3664 59.3623 29.2327 179.3736 98 L 3.6412 7.8537 118.8883 57.7633 41.5823 179.1582 99 N 4.0394 8.0806 117.9283 55.7237 38.2686 176.9765 100 Y 3.7597 7.6473 117.7787 60.8133 37.4569 178.6697 101 K 4.1199 7.9664 121.7049 59.3457 32.1136 178.6208 102 H 4.3675 8.4678 115.4301 58.7324 28.7770 177.1445 103 L 4.4399 7.9699 118.7162 55.3416 42.4960 177.9266 104 L 4.9678 8.0518 116.9311 53.1457 42.4998 176.7402 105 G 4.4682 8.2072 106.1445 44.8882 0.0000 173.5128 106 R 4.6220 7.2695 111.1673 54.9164 32.5292 173.5354 107 A 4.3848 8.0226 120.9990 50.0014 20.0261 175.4779 108 P 3.3984 0.0000 0.0000 62.7893 32.0228 177.0735 109 F 4.3761 8.8347 121.0593 60.1025 39.1090 175.6473 110 S 4.7314 7.5591 113.7449 56.4265 65.5999 173.3602 111 E 4.1873 8.6887 116.3400 58.6882 29.7390 177.9730 112 D 4.4822 7.7346 119.7694 57.3562 40.9734 178.2854 113 E 4.1051 8.1841 118.6986 59.3576 29.5779 179.3254 114 V 3.7932 7.4018 118.5391 66.3621 31.6801 178.1297 115 I 3.9568 8.2987 119.7770 64.2855 36.8156 178.3213 116 F 4.1300 8.3372 121.6978 61.7048 39.2201 177.0226 117 H 4.1690 8.7915 115.7861 58.2571 28.5529 177.5261 118 L 4.0935 8.6323 121.5324 58.0239 41.5683 179.0316 119 D 4.2482 8.0494 117.4430 57.2446 41.1481 177.6554 120 L 3.6876 7.5556 120.7911 58.7095 41.8654 177.9760 121 Y 4.1093 8.5012 119.4150 60.7274 38.4874 177.9779 122 E 3.7357 8.2908 119.5157 59.5438 29.8241 179.1422 123 N 4.5822 7.8142 114.3957 54.5597 39.0836 175.9234 124 Q 4.3174 8.1115 115.6216 54.4774 30.7916 176.2864 125 G 3.8441 8.7751 105.5448 45.1077 0.0000 174.3686 126 F 4.4780 8.9160 119.4304 61.8786 39.2457 176.7154 127 D 4.3209 8.4703 117.4945 57.4204 40.4047 178.7128 128 A 3.9786 7.8686 120.0586 54.8720 18.7017 178.8242 129 D 4.2503 7.8079 116.7826 57.5954 41.1627 178.2223 130 I 3.7589 7.4743 120.3321 64.8641 36.9707 178.0654 131 D 4.2870 8.0438 119.6404 57.1275 40.3456 178.9057 132 S 4.0289 7.5508 114.1208 61.5853 63.2248 175.9723 133 Y 4.1816 7.3201 119.7729 61.0039 37.5313 178.7172 134 I 3.0423 7.2764 118.6850 63.3087 37.1781 177.2138 135 D 4.7161 7.8829 117.9814 53.1468 41.3926 176.6866 136 S 4.4528 7.3308 115.2936 57.5372 64.2837 175.6280 137 V 3.5624 8.3870 120.1722 66.0079 31.3059 177.4156 138 E 3.8604 8.2435 118.6213 59.6557 29.4367 178.0083 139 Y 3.9335 8.2626 119.4307 60.6785 38.9015 177.8203 140 Q 4.0951 8.2611 120.4277 59.5042 29.0310 178.1921 141 E 4.0480 8.3708 118.0611 58.4524 29.5759 177.9991 142 N 4.4118 7.3495 114.4970 53.4806 39.5248 175.7777 143 F 4.7933 7.4655 117.1085 56.0300 42.1753 176.0711 144 G 3.9447 7.6135 108.9453 46.8367 0.0000 173.1829 145 E 4.4408 8.6789 116.8694 57.4822 30.2781 176.9465 146 N 5.0762 8.0476 113.7018 52.2469 40.9427 173.0875 147 I 4.8627 7.4584 119.8863 59.0558 38.9462 175.9557 148 V 3.6701 8.0952 127.6202 62.3106 31.8906 174.1203 149 P 2.9700 0.0000 0.0000 62.6312 32.2520 174.9762 150 Y 4.7918 6.9901 116.6439 55.6438 40.3908 173.3732 151 Y 4.7261 8.8102 123.1630 58.3377 39.7373 175.3439 152 R 4.5067 6.7130 124.2087 55.3414 32.9184 175.7126 153 F 4.3035 7.8505 117.9104 55.9996 38.5982 175.7772 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 19 R 8.25 4.20 0.00 1.88 2.08 0.00 3.13 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.46 0.00 20 P 0.00 3.84 0.00 2.15 2.23 0.00 3.54 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.38 0.00 21 V 8.68 4.10 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 0.93 0.00 0.00 0.95 0.00 0.00 22 E 8.74 4.94 0.00 2.02 1.78 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 2.20 2.48 0.00 23 L 8.61 4.35 0.00 1.46 1.45 0.15 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.44 4.50 0.00 1.91 1.90 0.00 3.30 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 25 P 0.00 4.34 0.00 2.20 2.11 0.00 3.97 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 26 D 8.40 3.95 0.00 2.68 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 27 F 6.56 4.76 0.00 3.27 3.25 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 0.00 28 S 9.80 4.78 0.00 3.97 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 29 L 8.63 3.99 0.00 1.78 1.82 0.95 0.91 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 30 D 8.04 4.41 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 31 D 8.13 4.47 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 32 A 7.91 3.87 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 33 K 7.74 4.17 0.00 1.97 1.82 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 *35 V 7.79 3.89 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 0.91 0.00 0.00 0.82 0.00 0.00 36 I 7.65 3.39 1.65 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 0.42 -0.00 0.50 0.00 0.00 37 R 7.85 3.92 0.00 1.94 2.03 0.00 3.15 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 38 A 7.80 4.08 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 39 V 8.17 3.55 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 0.98 0.00 0.00 1.12 0.00 0.00 40 Y 8.09 4.26 0.00 3.03 2.92 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 0.00 0.00 0.00 0.00 41 R 8.13 4.12 0.00 2.04 2.24 0.00 3.21 0.00 0.00 3.49 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 42 Q 7.85 3.96 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 43 V 8.57 3.91 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 0.98 0.00 0.00 0.95 0.00 0.00 44 L 8.03 4.66 0.00 1.97 1.69 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.90 3.96 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 0.00 0.00 0.00 46 N 8.18 5.01 0.00 2.76 2.63 0.00 0.00 7.02 8.24 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 47 D 8.79 4.73 0.00 2.73 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 48 Y 7.56 5.02 0.00 2.84 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 49 I 7.09 3.94 1.46 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 0.59 0.00 0.00 *51 D 8.79 4.69 0.00 2.82 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 52 S 8.22 4.11 0.00 3.82 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.78 4.37 0.00 1.79 1.87 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 0.00 2.16 2.16 0.00 54 R 7.51 3.96 0.00 1.96 2.17 0.00 3.62 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 55 L 8.27 4.47 0.00 1.91 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.07 4.06 0.00 1.83 1.92 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.73 7.81 57 G 8.11 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 58 A 8.15 4.13 1.60 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 0.00 0.00 59 E 8.69 3.60 0.00 2.22 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 2.29 2.74 0.00 60 S 8.01 4.09 0.00 4.20 3.96 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 61 L 7.84 4.09 0.00 1.98 1.74 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.86 3.96 0.00 1.39 1.32 0.88 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.61 4.02 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 1.28 0.00 0.00 64 N 7.95 4.52 0.00 2.74 2.91 0.00 0.00 7.17 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 65 G 7.69 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.31 4.29 0.00 4.02 3.99 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 67 I 7.35 4.62 1.92 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 1.47 0.73 0.96 0.00 0.00 68 S 8.12 4.65 0.00 4.29 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 69 V 8.10 3.59 2.29 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 1.07 0.00 0.00 0.91 0.00 0.00 70 R 7.97 4.09 0.00 2.28 2.00 0.00 3.48 0.00 0.00 3.54 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 71 E 8.04 4.02 0.00 2.20 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 2.33 2.47 0.00 72 F 8.52 4.16 0.00 3.03 3.22 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 73 V 8.39 3.35 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 1.00 0.00 0.00 74 R 8.05 3.72 0.00 1.83 2.08 0.00 3.36 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 1.56 1.59 0.00 75 T 7.95 3.80 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 1.19 0.00 0.00 76 V 7.79 3.61 1.90 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 1.08 0.00 0.00 0.39 0.00 0.00 77 A 8.09 3.25 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 78 K 7.30 4.59 0.00 1.67 1.89 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.34 7.81 79 S 7.20 4.55 0.00 4.00 4.11 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 0.00 0.00 0.00 0.00 80 E 8.61 3.88 0.00 1.98 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 2.42 2.37 0.00 81 L 7.89 3.81 0.00 1.69 1.66 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.72 3.94 0.00 3.20 3.10 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 0.00 0.00 0.00 83 K 8.16 3.76 0.00 1.37 1.24 0.00 1.45 0.00 0.00 1.05 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.88 1.55 7.81 84 K 7.51 3.06 0.00 1.48 1.63 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.48 7.81 85 K 7.10 3.71 0.00 1.25 0.84 0.00 1.38 0.00 0.00 1.02 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.84 7.81 86 F 7.64 4.73 0.00 2.60 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 87 L 7.38 4.36 0.00 1.62 1.56 0.95 0.63 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 88 Y 7.98 4.62 0.00 2.96 2.86 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 89 N 8.04 5.02 0.00 2.63 2.67 0.00 0.00 6.70 7.29 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 90 N 7.84 4.88 0.00 2.84 2.64 0.00 0.00 7.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.95 4.77 0.00 3.10 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 92 Q 8.94 3.96 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 93 T 8.14 3.94 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 1.30 0.00 0.00 94 R 8.16 3.91 0.00 2.00 2.17 0.00 3.24 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 95 V 7.79 3.63 2.30 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 1.24 0.00 0.00 1.11 0.00 0.00 96 I 7.98 3.80 2.16 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 1.72 0.53 1.23 0.00 0.00 97 E 8.14 4.04 0.00 2.19 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 2.59 0.00 98 L 7.85 3.64 0.00 1.66 1.04 0.93 0.24 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 99 N 8.08 4.04 0.00 2.16 1.42 0.00 0.00 6.56 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 0.00 100 Y 7.65 3.76 0.00 3.11 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 0.00 101 K 7.97 4.12 0.00 1.78 1.77 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 102 H 8.47 4.37 0.00 3.08 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.97 4.44 0.00 1.47 1.73 0.56 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.05 4.97 0.00 1.92 1.78 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.21 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 0.00 0.00 0.00 0.00 106 R 7.27 4.62 0.00 1.80 1.83 0.00 2.21 0.00 0.00 2.92 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 107 A 8.02 4.38 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 0.00 108 P 0.00 3.40 0.00 1.85 1.69 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 109 F 8.83 4.38 0.00 3.01 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 0.00 110 S 7.56 4.73 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.19 0.00 2.25 2.26 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 2.37 2.42 0.00 112 D 7.73 4.48 0.00 2.85 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 0.00 113 E 8.18 4.11 0.00 2.03 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 0.00 2.48 2.47 0.00 114 V 7.40 3.79 2.29 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 1.12 0.00 0.00 0.98 0.00 0.00 115 I 8.30 3.96 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.97 0.00 0.00 116 F 8.34 4.13 0.00 3.20 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 0.00 117 H 8.79 4.17 0.00 3.48 3.48 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.63 4.09 0.00 1.97 1.81 0.99 0.96 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 0.00 119 D 8.05 4.25 0.00 2.75 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 0.00 120 L 7.56 3.69 0.00 1.28 1.57 0.76 0.56 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 0.00 121 Y 8.50 4.11 0.00 3.05 3.23 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 0.00 122 E 8.29 3.74 0.00 2.16 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 2.74 2.61 0.00 123 N 7.81 4.58 0.00 2.76 2.80 0.00 0.00 6.88 7.69 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 0.00 124 Q 8.11 4.32 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 125 G 8.78 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 0.00 0.00 0.00 126 F 8.92 4.48 0.00 3.49 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 0.00 127 D 8.47 4.32 0.00 2.77 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 0.00 128 A 7.87 3.98 1.35 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 0.00 0.00 129 D 7.81 4.25 0.00 2.83 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 0.00 130 I 7.47 3.76 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.12 0.70 0.00 0.00 131 D 8.04 4.29 0.00 2.83 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 0.00 132 S 7.55 4.03 0.00 3.98 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 0.00 133 Y 7.32 4.18 0.00 2.94 2.88 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 0.00 0.00 0.00 134 I 7.28 3.04 1.62 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 1.17 0.48 0.30 0.00 0.00 135 D 7.88 4.72 0.00 2.65 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 0.00 136 S 7.33 4.45 0.00 4.07 4.20 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 0.00 137 V 8.39 3.56 2.09 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 1.11 0.00 0.00 0.93 0.00 0.00 138 E 8.24 3.86 0.00 2.12 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 2.33 2.35 0.00 139 Y 8.26 3.93 0.00 3.34 3.07 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 0.00 140 Q 8.26 4.10 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 141 E 8.37 4.05 0.00 1.98 1.92 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 0.00 2.32 2.33 0.00 142 N 7.35 4.41 0.00 1.44 1.78 0.00 0.00 6.77 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 7.47 4.79 0.00 2.32 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 0.00 144 G 7.61 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.68 4.44 0.00 2.07 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 2.43 2.32 0.00 146 N 8.05 5.08 0.00 2.73 2.98 0.00 0.00 6.99 7.31 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 0.00 147 I 7.46 4.86 2.14 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 1.20 0.65 1.16 0.00 0.00 148 V 8.10 3.67 2.09 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 0.75 0.00 0.00 0.93 0.00 0.00 149 P 0.00 2.97 0.00 1.68 0.99 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.45 0.00 150 Y 6.99 4.79 0.00 3.08 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 0.00 151 Y 8.81 4.73 0.00 2.99 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 0.00 152 R 6.71 4.51 0.00 1.27 1.18 0.00 3.10 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 153 F 7.85 4.30 0.00 3.08 3.12 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 * Residues marked with a * may have inaccurate shift predictions.