NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4596 8.1593 117.3753 63.7345 70.1091 172.7132 3 T 4.6534 8.2971 115.1075 58.6591 71.9126 173.4007 4 A 3.9900 8.6975 124.9742 55.3559 19.3928 181.3675 5 R 3.9572 7.8818 115.0350 59.4845 30.2798 177.6154 6 D 4.4580 7.9495 117.3436 56.1874 41.4660 176.7910 7 I 4.2010 7.1620 111.3097 59.3042 37.0969 176.3796 *9 N 4.3362 7.6633 117.4349 53.6772 39.1826 174.5301 10 A 4.6597 7.7720 125.3891 51.8131 19.8205 177.1398 11 G 3.8880 8.7133 107.1604 46.0569 0.0000 174.4220 12 V 3.8270 7.4472 111.9046 60.8624 32.3171 176.0413 13 T 4.1177 8.1042 120.0757 63.2450 69.2278 174.6140 14 C 4.6099 8.3770 126.1099 55.2507 44.7131 173.1710 15 V 3.7465 8.3776 126.9448 62.3433 32.5713 175.5306 16 G 4.0319 9.3783 115.8965 46.0091 0.0000 174.6149 17 E 4.0565 9.0288 121.8234 58.9733 29.6776 178.1640 18 H 4.8080 7.8633 114.0432 55.8101 29.5664 175.2172 19 E 4.2081 7.9511 121.0417 56.0872 30.1340 176.8578 20 T 4.6389 8.1965 112.6841 61.4191 71.1633 175.7599 21 L 4.0661 8.3565 121.4648 58.0889 41.6470 180.0786 22 T 3.8247 8.0688 115.7237 66.4949 68.3720 176.5311 23 A 3.7797 8.0364 122.5147 55.0228 18.1693 179.5314 24 A 4.2278 7.9649 118.0860 55.2935 18.5027 179.3770 25 A 4.0996 7.9789 118.6208 55.4278 18.7008 179.5545 26 Q 4.0631 7.7507 116.1582 58.9906 28.7452 178.9586 27 Y 4.6497 7.3165 116.8511 58.1750 37.8896 178.1312 *29 R 4.2188 8.0003 121.7390 56.4068 32.0677 176.7220 30 E 3.8865 8.3627 117.4307 59.3332 29.4817 177.1862 31 H 4.6517 8.2035 111.9930 54.7786 29.7566 174.0458 32 D 4.3822 7.6258 118.8699 55.4111 39.7072 172.0695 33 I 4.7345 7.4906 109.8988 59.3801 41.3066 175.3892 34 G 4.2281 8.5513 105.4851 45.9859 0.0000 172.5114 35 A 5.3132 7.8109 120.9601 50.4223 22.2471 175.9208 36 L 4.9211 9.0073 122.0686 52.0803 45.3741 174.7382 37 P 4.5017 0.0000 0.0000 62.5904 33.1792 174.8043 38 I 5.0141 8.8621 124.1011 59.8211 39.8766 174.0714 39 C 5.3166 9.1921 123.4526 55.0287 44.3257 173.8766 40 G 3.8247 8.7090 115.5182 45.5343 0.0000 174.4844 41 D 4.4406 8.6394 123.5983 54.5554 40.7832 173.2033 *42 D 4.5947 9.1093 118.7242 56.1662 37.1807 174.7487 43 D 4.3933 8.1594 115.6175 55.0406 37.8056 176.1306 44 R 4.7512 7.5329 118.4349 55.2119 29.5623 178.6127 45 L 4.4857 8.4217 126.4185 54.6930 42.4719 176.0908 46 H 4.8062 10.1451 123.3155 54.7909 31.6000 176.6411 47 G 4.1004 7.3219 107.3235 45.8275 0.0000 174.3018 *49 L 4.3960 8.0143 128.1879 54.6673 42.6961 175.3765 50 T 5.0868 8.3727 116.2946 59.7407 72.4431 175.2291 51 D 4.3681 8.7129 122.2499 56.8125 39.3062 178.8535 52 R 3.8998 7.9922 119.6275 58.9701 30.0209 177.9331 53 D 4.3751 8.0400 118.9397 57.5624 40.7777 178.8119 54 I 3.6995 7.5837 119.8467 64.2939 36.9762 178.7837 55 V 3.5763 7.4745 119.0493 66.0365 31.2603 178.2613 56 I 3.7875 8.1509 118.2973 64.0687 37.2860 177.9837 57 K 4.3976 8.3367 117.0871 57.6491 32.5718 177.5950 58 G 3.7472 8.1030 105.6048 45.6045 0.0000 175.4103 59 L 3.9726 7.6521 119.5089 57.2166 42.3224 179.2726 60 A 4.0889 8.2993 119.3014 53.9163 18.5121 177.7105 61 A 4.4749 7.8799 117.4527 51.6421 19.1835 177.5282 62 G 3.9125 7.9173 104.4517 46.9244 0.0000 174.4038 63 L 4.3350 7.5937 118.8787 53.5224 42.9026 175.9004 64 D 4.6708 8.3889 121.3670 52.3589 41.8989 175.6038 65 P 4.5761 0.0000 0.0000 65.1670 31.4706 177.3650 66 N 4.7050 8.7545 115.9287 54.1277 38.9717 175.6857 67 T 4.4131 7.5567 106.0726 62.0978 71.3243 174.6871 68 A 4.1348 8.5402 125.5241 52.1016 19.2181 176.4419 69 T 4.9833 8.1084 110.6389 59.6301 71.5513 175.5017 70 A 4.1301 9.0450 125.3967 55.4334 18.3055 180.5376 71 G 3.6436 8.4411 106.7199 48.5857 0.0000 176.2933 72 E 4.0554 7.8621 119.5246 60.6411 29.6619 180.7301 73 L 4.5636 7.5750 117.5153 56.7175 42.2812 178.9416 74 A 4.0605 8.4493 121.0814 54.7377 18.1085 179.3013 75 R 4.2071 7.8401 115.0887 58.2011 30.1447 177.7951 76 D 4.7707 7.6975 117.9922 54.6363 42.3233 176.7395 77 S 4.6284 7.9064 115.5196 55.9489 62.9074 171.2030 78 I 4.1709 7.8612 120.8903 59.0318 38.5826 174.1504 79 Y 4.6966 7.0804 124.8716 55.6193 40.7676 173.3054 80 Y 4.8575 7.3192 117.9289 57.1469 40.4119 172.7793 81 V 4.7242 8.3825 111.8738 59.4227 36.1501 175.3142 82 D 5.0307 8.7552 122.0021 53.8736 42.2676 177.0680 83 A 3.9613 8.6772 126.0141 54.9326 18.5113 178.9526 84 N 4.6598 8.2495 111.0307 52.9130 39.1563 175.3785 85 A 4.1161 8.0201 123.4999 52.1242 18.9593 178.0685 86 S 4.9689 8.2652 115.9419 57.1296 64.6460 174.5405 87 I 3.8597 8.2956 121.2884 64.6667 37.2563 177.9047 88 Q 4.1100 8.3945 121.3436 59.8156 28.8428 180.1365 89 E 4.2604 8.0097 111.2862 56.2721 28.9601 180.4474 *91 L 4.3775 7.9542 121.8508 55.8174 43.9789 178.3103 92 N 4.4266 8.2748 116.0237 56.5040 38.7367 178.2819 93 V 3.6916 7.9289 117.4919 64.1772 31.0581 178.0852 *95 E 4.2152 8.4953 117.4265 56.1082 31.7700 181.4951 96 E 3.9612 8.1375 114.5013 58.8761 29.6419 179.6808 97 H 4.4092 7.9458 113.6287 54.9371 29.4983 174.9425 98 Q 3.4332 7.3900 117.8117 57.3954 26.3219 173.2260 99 V 4.4845 7.4018 110.5593 60.4453 35.8141 177.0092 *100 R 4.6772 8.3799 120.0635 57.2058 30.7549 176.7998 101 R 5.2199 7.7763 112.7592 55.7115 32.7025 174.6832 102 V 4.7838 8.9778 120.3057 60.7301 35.5209 172.9373 103 P 4.8945 0.0000 0.0000 62.4688 32.9911 175.0450 104 V 4.8902 8.8449 123.1596 61.3192 34.0062 174.4743 105 I 4.9041 8.6951 128.3518 59.7579 40.8269 175.0187 106 S 4.3525 8.9122 122.6461 58.0345 65.5655 174.4796 107 E 3.7508 9.3524 124.4932 57.5541 26.3567 171.4878 108 H 4.1305 8.2776 117.3367 57.2628 27.0256 175.4426 109 R 4.7994 7.2638 118.1198 53.6304 31.8810 180.1834 110 L 4.4632 8.3769 124.0495 55.0089 42.0088 177.0570 111 V 4.2974 8.6952 118.2291 60.6374 34.4271 175.3476 112 G 3.9683 7.0403 106.4411 46.3390 0.0000 171.5526 113 I 5.1875 8.3407 119.7743 59.3596 40.6619 175.6601 114 V 4.5507 8.9450 126.5981 61.2963 34.0568 174.6890 115 T 4.9748 8.9662 117.6803 59.8322 71.5457 175.1630 116 E 3.9374 9.2043 122.9001 59.3777 29.5505 178.9317 117 A 4.0275 7.9666 120.4774 55.1049 18.3382 179.1234 118 D 4.3303 8.0717 117.5507 57.5567 40.6541 179.0874 119 I 3.7150 7.4062 118.9383 64.3637 37.2064 178.0035 120 A 4.1260 7.7694 120.4181 55.3053 18.2529 179.6640 121 R 4.0053 7.9307 115.6715 58.2875 30.3432 177.0906 122 H 5.0671 7.6094 115.5821 55.3685 29.7002 175.9395 123 L 4.1293 8.2387 120.4607 57.4835 41.9899 175.8227 124 P 4.4300 0.0000 0.0000 62.7716 31.2303 176.2192 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 T 8.16 4.46 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 1.22 0.00 0.00 3 T 8.30 4.65 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 1.21 0.00 0.00 4 A 8.70 3.99 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 5 R 7.88 3.96 0.00 1.90 1.98 0.00 3.26 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 6 D 7.95 4.46 0.00 2.95 2.69 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 7 I 7.16 4.20 1.95 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 1.47 0.69 0.91 0.00 0.00 *9 N 7.66 4.34 0.00 2.88 2.87 0.00 0.00 6.85 8.04 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 10 A 7.77 4.66 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 11 G 8.71 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 0.00 0.00 0.00 12 V 7.45 3.83 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 0.74 0.00 0.00 0.89 0.00 0.00 13 T 8.10 4.12 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 1.08 0.00 0.00 14 C 8.38 4.61 0.00 2.91 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 15 V 8.38 3.75 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 1.08 0.00 0.00 0.64 0.00 0.00 16 G 9.38 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 0.00 0.00 0.00 17 E 9.03 4.06 0.00 2.02 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 0.00 2.15 1.77 0.00 18 H 7.86 4.81 0.00 3.18 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.95 4.21 0.00 2.23 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 2.41 2.44 0.00 20 T 8.20 4.64 4.43 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 1.25 0.00 0.00 21 L 8.36 4.07 0.00 1.89 1.77 0.93 0.82 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 22 T 8.07 3.82 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 1.17 0.00 0.00 23 A 8.04 3.78 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 24 A 7.96 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 25 A 7.98 4.10 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 26 Q 7.75 4.06 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 27 Y 7.32 4.65 0.00 3.21 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 *29 R 8.00 4.22 0.00 1.86 2.09 0.00 3.18 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 30 E 8.36 3.89 0.00 2.07 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 2.11 2.25 0.00 31 H 8.20 4.65 0.00 3.25 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.63 4.38 0.00 2.72 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 33 I 7.49 4.73 1.90 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 1.42 0.90 1.00 0.00 0.00 34 G 8.55 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 0.00 0.00 0.00 0.00 35 A 7.81 5.31 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 36 L 9.01 4.92 0.00 1.45 1.52 1.07 1.11 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 37 P 0.00 4.50 0.00 2.05 2.12 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 38 I 8.86 5.01 1.92 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 1.33 1.12 0.87 0.00 0.00 39 C 9.19 5.32 0.00 2.73 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 40 G 8.71 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 41 D 8.64 4.44 0.00 2.62 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 *42 D 9.11 4.59 0.00 2.83 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 43 D 8.16 4.39 0.00 2.71 2.69 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 44 R 7.53 4.75 0.00 1.69 1.86 0.00 3.23 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 45 L 8.42 4.49 0.00 1.46 1.45 0.94 0.99 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 46 H 10.15 4.81 0.00 3.18 3.31 0.00 6.07 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 47 G 7.32 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 *49 L 8.01 4.40 0.00 1.77 1.62 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.37 5.09 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 1.28 0.00 0.00 51 D 8.71 4.37 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.90 0.00 1.92 1.99 0.00 3.20 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 53 D 8.04 4.38 0.00 3.02 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 54 I 7.58 3.70 2.06 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 1.43 0.86 0.92 0.00 0.00 55 V 7.47 3.58 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 1.13 0.00 0.00 1.00 0.00 0.00 56 I 8.15 3.79 1.94 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 1.72 0.93 0.92 0.00 0.00 57 K 8.34 4.40 0.00 1.88 1.87 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.46 7.81 58 G 8.10 3.75 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 0.00 0.00 0.00 59 L 7.65 3.97 0.00 1.86 1.74 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.30 4.09 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 61 A 7.88 4.47 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 62 G 7.92 3.91 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 0.00 0.00 0.00 63 L 7.59 4.33 0.00 1.77 1.61 0.97 1.02 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 64 D 8.39 4.67 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.25 2.29 0.00 3.74 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 2.07 1.99 0.00 66 N 8.75 4.70 0.00 2.83 2.90 0.00 0.00 6.74 7.18 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 67 T 7.56 4.41 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 1.26 0.00 0.00 68 A 8.54 4.13 1.32 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 0.00 0.00 69 T 8.11 4.98 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 70 A 9.04 4.13 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 71 G 8.44 3.64 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 0.00 0.00 0.00 72 E 7.86 4.06 0.00 2.04 1.89 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 2.26 2.23 0.00 73 L 7.58 4.56 0.00 1.87 1.74 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.45 4.06 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 75 R 7.84 4.21 0.00 1.82 2.00 0.00 3.17 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 76 D 7.70 4.77 0.00 2.76 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 77 S 7.91 4.63 0.00 3.83 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 I 7.86 4.17 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 0.94 0.00 0.00 79 Y 7.08 4.70 0.00 2.82 2.41 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 80 Y 7.32 4.86 0.00 3.00 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 81 V 8.38 4.72 2.14 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 0.77 0.00 0.00 1.07 0.00 0.00 82 D 8.76 5.03 0.00 2.89 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 83 A 8.68 3.96 1.32 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 0.00 0.00 84 N 8.25 4.66 0.00 2.97 2.86 0.00 0.00 6.95 6.99 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 85 A 8.02 4.12 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 86 S 8.27 4.97 0.00 4.10 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 87 I 8.30 3.86 1.88 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 1.43 0.55 0.92 0.00 0.00 88 Q 8.39 4.11 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.20 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 89 E 8.01 4.26 0.00 1.93 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 2.24 2.16 0.00 *91 L 7.95 4.38 0.00 1.80 1.79 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.27 4.43 0.00 2.95 2.85 0.00 0.00 6.59 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 93 V 7.93 3.69 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 0.94 0.00 0.00 0.98 0.00 0.00 *95 E 8.50 4.22 0.00 1.96 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 2.21 1.88 0.00 96 E 8.14 3.96 0.00 1.99 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 0.00 2.26 2.17 0.00 97 H 7.95 4.41 0.00 2.72 2.81 0.00 5.78 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 98 Q 7.39 3.43 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 99 V 7.40 4.48 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 0.57 0.00 0.00 0.60 0.00 0.00 *100 R 8.38 4.68 0.00 1.49 1.91 0.00 3.22 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.00 101 R 7.78 5.22 0.00 1.89 1.90 0.00 2.98 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 102 V 8.98 4.78 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 1.23 0.00 0.00 1.03 0.00 0.00 103 P 0.00 4.89 0.00 2.13 1.91 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 104 V 8.84 4.89 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 1.07 0.00 0.00 0.96 0.00 0.00 105 I 8.70 4.90 1.60 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.36 0.63 0.00 0.00 106 S 8.91 4.35 0.00 3.82 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.35 3.75 0.00 2.19 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 0.00 2.12 1.88 0.00 108 H 8.28 4.13 0.00 3.32 3.40 0.00 5.54 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.26 4.80 0.00 1.74 1.76 0.00 3.27 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 110 L 8.38 4.46 0.00 1.51 1.55 0.98 0.75 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 0.00 111 V 8.70 4.30 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 0.81 0.00 0.00 0.96 0.00 0.00 112 G 7.04 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 0.00 0.00 0.00 113 I 8.34 5.19 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 1.09 0.97 0.93 0.00 0.00 114 V 8.94 4.55 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 1.10 0.00 0.00 0.95 0.00 0.00 115 T 8.97 4.97 4.26 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 1.23 0.00 0.00 116 E 9.20 3.94 0.00 2.15 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 2.31 2.33 0.00 117 A 7.97 4.03 1.32 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 0.00 0.00 118 D 8.07 4.33 0.00 2.95 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 0.00 119 I 7.41 3.71 2.05 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 1.48 0.64 0.92 0.00 0.00 120 A 7.77 4.13 1.33 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 0.00 0.00 121 R 7.93 4.01 0.00 1.61 1.75 0.00 3.09 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 122 H 7.61 5.07 0.00 3.08 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.24 4.13 0.00 1.64 1.73 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.43 0.00 2.05 1.97 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.