NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2446 0.0000 0.0000 62.5334 32.5530 175.4332 3 R 4.1103 8.4418 122.1960 54.4396 30.2165 174.7695 4 A 4.4007 8.0736 131.0279 50.2147 18.3118 176.1469 5 K 4.2042 7.8766 120.2947 56.3758 33.5699 178.1554 6 T 3.8836 8.4053 116.2883 66.2506 69.5120 176.7158 7 G 3.7179 7.6827 109.8379 46.4054 0.0000 174.8808 8 V 3.4996 8.8612 121.7448 66.3190 31.3695 180.0833 9 V 2.6431 6.2673 113.4947 62.1939 34.8822 177.0549 10 R 3.8014 8.3545 117.2989 59.8161 30.2748 178.1219 11 R 3.9374 7.7004 118.1472 59.6497 29.9932 178.4059 12 R 3.8931 7.9571 116.9577 59.5028 29.9063 178.8426 13 K 3.8765 7.9487 117.9514 59.9390 32.0853 179.1832 14 H 4.2457 8.2203 116.2780 58.8652 28.7154 177.7890 15 K 3.9354 8.3142 120.5024 59.3671 31.5895 179.0399 16 K 3.8262 7.8225 117.8435 60.0356 32.0831 178.8204 17 I 3.7693 7.3100 119.2192 64.4873 37.0888 178.3381 18 L 3.6464 7.8711 119.2361 58.1945 41.2673 179.9772 19 K 3.9787 8.0902 117.2669 58.7151 31.7826 178.6823 20 L 4.2147 8.9149 119.9651 56.5800 42.0599 178.0893 21 A 3.6475 7.2683 118.2465 51.2997 18.2557 177.1962 22 K 3.7285 6.5917 116.8462 58.3259 32.6090 175.9332 23 G 4.0751 8.9506 110.8309 45.8324 0.0000 173.2448 24 Y 4.7945 6.9834 115.7630 57.5278 40.0196 177.9167 25 W 4.5382 9.4342 133.8037 58.9118 30.7988 177.3477 26 G 4.3024 9.3962 113.7925 44.9845 0.0000 175.9205 27 L 4.2460 8.8612 126.5082 55.4618 41.4852 178.4145 28 R 4.1076 8.0522 119.3316 58.3541 30.1314 177.6456 29 S 4.7628 8.1429 109.3100 57.4467 64.3769 174.4066 30 K 4.2651 7.9199 119.9038 57.7045 33.9733 176.4327 31 S 4.2453 8.3066 117.6146 58.1015 62.2453 175.2995 *32 F 4.2295 8.6725 123.6246 57.6985 37.7529 171.8506 33 R 4.7232 8.6267 116.8178 57.2823 33.9771 177.6399 34 K 3.9821 8.1675 117.8295 58.9620 31.8662 178.9067 35 A 4.6881 7.9610 121.9980 54.6901 18.1157 179.0177 36 R 3.5054 7.8403 115.0258 59.7639 30.3324 177.5847 37 E 4.0380 7.9349 117.7771 60.0360 29.5069 179.5451 38 T 3.7807 7.8345 115.2243 66.8665 68.4151 176.6002 39 L 4.0405 7.8493 120.5633 57.5626 41.4940 179.3926 40 F 4.6067 7.5784 117.5605 60.6024 38.8008 177.2528 41 A 3.5650 8.0096 119.2175 55.0939 18.2348 178.9382 42 A 4.2318 7.9717 119.4167 55.5560 18.4540 179.8120 43 G 3.7131 8.6819 104.5176 48.3609 0.0000 175.5162 44 N 4.4104 8.2456 119.5949 55.8247 38.4454 176.9120 45 Y 4.3595 8.6456 119.0774 61.4878 38.2013 178.8955 46 A 3.6652 8.3338 121.2412 55.1667 18.2662 179.1915 47 Y 3.9609 8.0183 117.8164 60.7987 38.9912 177.9093 48 A 3.8450 8.4877 121.9736 55.6525 18.6100 179.4003 49 H 4.2493 9.0061 115.5669 58.4969 28.1644 178.1517 50 R 3.7739 7.6483 120.5816 59.4167 29.8571 178.6277 51 K 3.5621 7.3089 116.5031 59.0749 32.1389 179.3472 52 R 3.9331 7.9984 118.9883 58.9836 30.0039 178.5952 53 R 3.6123 7.7978 119.7633 59.1284 30.0066 178.1014 54 K 3.7285 7.2336 118.0190 59.4451 32.2868 178.4576 55 R 4.2874 8.0651 114.0262 56.9868 29.7863 177.6799 56 D 4.3821 7.9684 120.4215 56.3888 40.8276 177.9832 57 F 4.1782 7.4903 117.5862 59.3869 39.3220 177.9019 58 R 3.7231 7.1490 117.2752 59.8967 29.8254 178.2553 59 R 3.9744 7.6340 117.6806 58.3123 30.1047 178.0212 60 L 3.7773 7.8651 119.4160 58.6305 42.1592 179.0796 61 W 4.4055 8.3008 118.9774 59.3740 28.9196 178.8118 62 I 3.6623 7.8710 118.0661 64.3462 36.6104 178.0094 63 V 3.5227 7.7224 119.0130 66.2802 31.2455 177.8625 64 R 3.9153 7.7881 116.9942 60.2825 29.9832 178.3096 65 I 3.5792 8.4324 118.3801 65.0015 37.0837 177.6194 66 N 4.3244 9.3681 116.7686 57.2025 38.9388 176.6482 67 A 4.0078 8.3788 121.9978 55.4567 18.6373 179.2220 68 A 4.0923 8.3089 119.3007 55.2512 18.6825 178.9987 69 C 4.4194 8.7775 111.4990 59.4750 29.9910 175.4283 70 R 5.0455 8.5989 123.1987 58.0924 29.7466 176.9151 71 Q 4.5650 7.3845 115.7003 56.2717 28.9541 175.3340 72 H 4.8799 8.0445 116.8264 56.1792 29.0441 174.9021 73 G 4.2732 8.0631 115.2961 45.4690 0.0000 176.8532 74 L 4.3490 7.4821 118.5886 53.9910 42.7667 174.9312 75 N 5.2266 8.2093 115.7279 50.9157 41.2314 174.2711 76 Y 4.1889 8.7756 120.1971 61.1092 38.2772 177.9537 77 S 4.2148 8.4449 115.3715 62.5210 63.0726 176.7408 78 T 3.9487 8.9943 118.3892 67.2887 68.1721 176.1085 79 F 4.0079 8.5930 119.5729 61.7588 39.5549 177.3391 80 I 2.9194 7.7145 118.6483 64.7151 36.9810 177.9502 81 H 4.2324 7.8027 118.0850 59.1897 29.7978 177.4920 82 G 3.5638 8.4760 107.8739 47.6323 0.0000 174.8802 83 L 3.9290 8.4969 123.5864 57.8843 41.7492 179.0790 84 K 3.8120 7.9396 117.9641 59.5092 32.3238 177.9988 85 K 3.8841 9.6517 117.8553 60.1936 32.0269 177.3332 86 A 4.1230 8.2446 120.6146 49.9487 19.3344 175.8916 87 G 3.0410 5.6426 109.4637 43.4588 0.0000 172.6761 88 I 4.3246 7.0650 114.7553 59.7403 39.1294 176.5800 89 E 3.9840 8.7913 125.4872 57.4379 29.4201 177.6230 90 V 3.6343 7.2183 119.0247 63.5938 32.1190 174.9335 91 D 4.4594 8.8999 123.1641 55.8662 41.0035 173.0751 92 R 3.3924 7.7830 113.9561 60.3677 28.4891 178.6918 93 K 3.9369 7.6309 118.2015 58.4478 33.9223 176.4430 94 N 2.0000 7.7095 120.3272 55.7958 38.7942 175.5986 95 L 4.0568 7.9648 115.4933 55.0329 42.2442 176.9630 96 A 4.8179 7.8492 124.3890 51.4985 18.0407 177.6266 97 D 4.6795 7.3630 120.8249 53.3543 41.4269 178.9378 98 L 4.2998 7.7712 118.8566 57.3013 41.7270 178.3488 99 A 3.3015 7.5532 120.1169 54.2293 17.9862 177.6202 100 V 3.9559 7.9264 114.7273 64.1950 33.0344 175.6085 101 R 4.1780 7.5514 117.7335 56.3057 31.4556 176.2083 102 E 4.4344 9.0753 121.7204 57.4911 25.8122 174.2293 103 P 4.5363 0.0000 0.0000 65.8537 31.8667 177.8836 104 Q 4.0469 8.1892 117.8956 58.9992 28.5626 178.9108 105 V 3.6462 7.7413 118.8115 65.6587 31.5716 177.6477 106 F 4.2293 8.3015 119.7861 61.4219 39.3016 176.4914 107 A 3.8446 8.6811 120.4221 55.7098 18.1643 178.7990 108 E 3.7690 8.0338 116.3391 59.7696 29.4978 179.5293 109 L 3.8587 8.4144 118.7022 58.4041 41.8859 179.5083 110 V 2.9496 7.5018 117.6405 66.5258 31.2316 177.3572 111 E 3.8121 8.0384 117.0056 59.9150 29.2779 179.7175 112 R 3.8807 7.7767 117.2308 59.3291 30.3540 178.5888 113 A 4.2927 8.0516 120.6696 54.5839 18.8134 179.2728 114 K 4.1681 8.3739 113.1227 58.2801 32.5116 177.9031 115 A 4.3247 7.9300 122.2302 53.2233 19.5354 177.5723 116 A 4.6363 8.0072 120.4857 52.8628 19.4032 177.4745 117 Q 4.4377 8.3473 117.7654 56.3857 30.8742 176.5495 118 G 4.0069 8.2126 111.9141 45.6079 0.0000 173.4116 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 2 P 0.00 4.24 0.00 2.19 2.12 0.00 3.71 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 1.88 1.96 0.00 3 R 8.44 4.11 0.00 1.86 1.89 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 A 8.07 4.40 1.25 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 0.00 0.00 5 K 7.88 4.20 0.00 1.88 1.83 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 6 T 8.41 3.88 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 7 G 7.68 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 0.00 0.00 0.00 8 V 8.86 3.50 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 6.27 2.64 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 0.88 0.00 0.00 0.95 0.00 0.00 10 R 8.35 3.80 0.00 1.90 1.95 0.00 3.30 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 11 R 7.70 3.94 0.00 1.88 2.08 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 12 R 7.96 3.89 0.00 2.15 1.96 0.00 3.20 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 13 K 7.95 3.88 0.00 1.78 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.60 7.81 14 H 8.22 4.25 0.00 3.48 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.31 3.94 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.70 7.81 16 K 7.82 3.83 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.69 7.81 17 I 7.31 3.77 1.86 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 1.70 1.10 0.86 0.00 0.00 18 L 7.87 3.65 0.00 1.82 1.72 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.09 3.98 0.00 1.91 1.83 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 20 L 8.91 4.21 0.00 1.67 1.65 0.90 0.79 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 21 A 7.27 3.65 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 6.59 3.73 0.00 1.62 1.69 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 23 G 8.95 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 0.00 0.00 0.00 0.00 24 Y 6.98 4.79 0.00 3.10 2.93 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 25 W 9.43 4.54 0.00 3.34 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 26 G 9.40 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 0.00 0.00 0.00 0.00 27 L 8.86 4.25 0.00 1.75 1.72 0.93 0.88 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 28 R 8.05 4.11 0.00 2.06 2.12 0.00 3.19 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 29 S 8.14 4.76 0.00 3.99 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 0.00 30 K 7.92 4.27 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.28 7.81 31 S 8.31 4.25 0.00 3.85 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 *32 F 8.67 4.23 0.00 2.34 2.17 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 33 R 8.63 4.72 0.00 1.88 2.13 0.00 2.76 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 34 K 8.17 3.98 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.63 7.81 35 A 7.96 4.69 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 36 R 7.84 3.51 0.00 1.69 2.03 0.00 3.30 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.31 0.00 37 E 7.93 4.04 0.00 2.25 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 2.45 2.51 0.00 38 T 7.83 3.78 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 39 L 7.85 4.04 0.00 1.64 1.67 0.89 1.33 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 40 F 7.58 4.61 0.00 3.25 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 A 8.01 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.97 4.23 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 43 G 8.68 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 44 N 8.25 4.41 0.00 2.70 2.87 0.00 0.00 7.12 7.06 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 45 Y 8.65 4.36 0.00 3.14 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 46 A 8.33 3.67 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.02 3.96 0.00 3.13 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 48 A 8.49 3.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.01 4.25 0.00 3.17 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.65 3.77 0.00 2.23 1.80 0.00 3.05 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 51 K 7.31 3.56 0.00 1.68 1.73 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.15 1.07 7.81 52 R 8.00 3.93 0.00 1.90 2.05 0.00 3.26 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 53 R 7.80 3.61 0.00 1.63 1.88 0.00 2.93 0.00 0.00 3.05 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.81 0.00 54 K 7.23 3.73 0.00 1.65 1.84 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 55 R 8.07 4.29 0.00 1.92 2.10 0.00 2.72 0.00 0.00 3.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 56 D 7.97 4.38 0.00 2.45 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 57 F 7.49 4.18 0.00 2.28 1.45 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 0.00 0.00 0.00 0.00 58 R 7.15 3.72 0.00 1.75 2.04 0.00 3.09 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 59 R 7.63 3.97 0.00 1.93 1.93 0.00 3.08 0.00 0.00 3.04 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 60 L 7.87 3.78 0.00 1.75 1.33 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.30 4.41 0.00 3.50 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 62 I 7.87 3.66 1.90 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 1.81 0.77 0.20 0.00 0.00 63 V 7.72 3.52 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 1.10 0.00 0.00 0.88 0.00 0.00 64 R 7.79 3.92 0.00 2.27 1.98 0.00 3.26 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 65 I 8.43 3.58 2.40 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 1.45 0.00 0.00 66 N 9.37 4.32 0.00 2.97 3.07 0.00 0.00 7.23 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 67 A 8.38 4.01 1.40 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 0.00 0.00 68 A 8.31 4.09 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 69 C 8.78 4.42 0.00 2.78 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.60 5.05 0.00 2.10 2.19 0.00 3.14 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 71 Q 7.38 4.56 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.17 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 72 H 8.04 4.88 0.00 3.02 3.15 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.06 4.27 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 0.00 0.00 0.00 74 L 7.48 4.35 0.00 1.91 1.85 0.87 0.21 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 75 N 8.21 5.23 0.00 3.01 3.04 0.00 0.00 5.58 7.57 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 76 Y 8.78 4.19 0.00 3.42 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 77 S 8.44 4.21 0.00 3.99 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 78 T 8.99 3.95 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 1.31 0.00 0.00 79 F 8.59 4.01 0.00 3.04 3.03 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 0.00 80 I 7.71 2.92 1.44 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.36 0.69 0.00 0.00 81 H 7.80 4.23 0.00 3.28 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.48 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 83 L 8.50 3.93 0.00 1.70 1.57 1.11 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.94 3.81 0.00 1.90 1.92 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.47 7.81 85 K 9.65 3.88 0.00 1.56 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 86 A 8.24 4.12 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 87 G 5.64 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 0.00 0.00 0.00 88 I 7.07 4.32 1.86 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 1.39 0.66 0.90 0.00 0.00 89 E 8.79 3.98 0.00 2.00 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 2.39 2.24 0.00 90 V 7.22 3.63 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 0.72 0.00 0.00 0.93 0.00 0.00 91 D 8.90 4.46 0.00 2.95 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 92 R 7.78 3.39 0.00 2.02 1.74 0.00 3.12 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 93 K 7.63 3.94 0.00 2.18 2.55 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.33 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.75 1.71 7.81 94 N 7.71 2.00 0.00 1.44 2.29 0.00 0.00 7.40 8.33 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 95 L 7.96 4.06 0.00 1.77 1.58 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.85 4.82 1.46 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 0.00 0.00 97 D 7.36 4.68 0.00 2.73 2.90 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 98 L 7.77 4.30 0.00 1.72 1.87 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.55 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.93 3.96 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 0.78 0.00 0.00 0.85 0.00 0.00 101 R 7.55 4.18 0.00 1.88 1.82 0.00 3.24 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 102 E 9.08 4.43 0.00 2.20 2.19 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 2.27 2.19 0.00 103 P 0.00 4.54 0.00 2.33 2.34 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 104 Q 8.19 4.05 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 105 V 7.74 3.65 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 1.03 0.00 0.00 0.96 0.00 0.00 106 F 8.30 4.23 0.00 3.12 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 0.00 107 A 8.68 3.84 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 0.00 108 E 8.03 3.77 0.00 2.08 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 2.52 0.00 109 L 8.41 3.86 0.00 1.69 1.80 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.50 2.95 1.93 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 0.71 0.00 0.00 0.12 0.00 0.00 111 E 8.04 3.81 0.00 2.12 1.93 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 2.38 2.45 0.00 112 R 7.78 3.88 0.00 1.95 2.03 0.00 3.29 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 113 A 8.05 4.29 1.56 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 0.00 114 K 8.37 4.17 0.00 1.84 1.89 0.00 1.48 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.41 7.81 115 A 7.93 4.32 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 0.00 116 A 8.01 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.35 4.44 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 118 G 8.21 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 * Residues marked with a * may have inaccurate shift predictions.