NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3401 8.3449 119.1176 55.1108 28.5249 174.3845 3 K 4.3513 8.4498 122.6045 54.8283 33.4403 175.1766 4 I 4.3548 7.6029 119.9272 59.2378 40.9348 174.2715 5 N 4.6456 8.5325 124.0895 52.0294 38.5249 175.1336 6 I 3.7444 8.3050 128.0661 64.4576 37.4833 178.6276 7 D 4.5914 8.0165 119.0542 56.6283 40.6885 177.2066 8 R 4.5438 7.9825 117.6800 56.0959 30.9008 176.0027 9 H 4.7341 7.9556 118.0945 54.1159 31.4059 172.9722 10 A 4.0163 8.3775 131.5302 55.3001 18.4260 178.8958 11 T 3.7452 7.7322 113.6234 66.8130 68.3402 176.4412 12 A 4.0339 7.8843 120.6340 55.3365 18.6155 179.2280 13 Q 4.1053 7.9647 115.4025 59.0372 29.0753 178.7489 14 I 3.9289 8.0453 121.1125 64.3540 37.2865 178.8020 15 N 4.5407 7.8804 115.4030 53.6432 38.3748 176.9027 *17 L 4.2094 7.9678 124.2147 55.0888 43.9713 178.5770 18 A 4.0595 8.0580 120.4160 55.2753 18.6022 178.5324 19 N 4.5506 8.0720 112.2255 56.4611 38.7945 176.9907 20 K 4.1722 8.0476 116.0824 59.4545 32.2823 179.2193 21 L 4.0439 8.0922 116.0165 55.3564 41.2209 177.9540 *23 L 4.0638 7.6238 117.5763 55.7840 41.1825 175.1094 *29 Y 4.7748 7.2647 121.9292 58.4430 40.2223 173.6391 30 T 4.1749 6.5441 102.8054 62.6566 71.3759 175.7680 31 Q 4.0665 7.6690 119.7663 58.8569 28.7069 178.3547 32 K 3.7083 8.3066 118.5225 59.3221 31.9642 176.7553 33 F 4.2259 8.0710 113.7848 57.4048 38.9171 176.5125 34 G 4.0490 9.1343 109.8654 45.0921 0.0000 173.4242 35 I 4.9626 7.3472 110.9621 58.7228 42.5347 175.7354 36 G 3.6819 9.4424 112.9585 46.8325 0.0000 175.9055 *38 T 4.3085 9.0890 120.2791 63.5676 71.0239 175.7276 39 E 3.9821 8.2857 120.2818 59.2745 29.3983 179.1411 40 W 4.2219 8.3415 128.1924 60.5606 30.7320 178.1897 41 R 3.7364 8.0340 117.5374 59.2200 29.4430 179.0225 42 I 3.5868 7.8116 119.4970 64.3240 37.1166 178.2596 43 I 3.4606 7.7639 120.9970 64.5885 36.6813 178.5619 44 S 3.1134 7.3470 114.6220 61.1762 62.8880 176.5960 45 V 3.5554 7.5445 120.8519 66.0633 30.9728 178.1231 46 L 3.9157 7.9377 118.7959 57.7481 41.1575 179.5971 47 S 3.7852 7.5697 114.3700 60.6946 62.6482 176.1172 48 S 4.2784 7.6173 116.0057 59.5844 63.2840 173.6387 49 A 4.4276 6.6628 122.2287 51.4415 22.1876 175.5173 50 S 4.6173 8.4005 115.5655 58.1615 64.7567 174.2718 51 D 4.2995 8.7709 120.2956 55.8235 38.3710 173.3904 52 C 4.4958 8.0456 118.5275 58.9274 30.1358 173.3627 53 S 5.0545 7.9939 115.4080 56.1754 66.7240 175.2069 54 V 3.5733 8.2227 121.4750 66.0667 31.1658 177.8831 55 Q 3.9374 8.0212 118.7719 59.3096 29.0179 178.4252 56 K 3.9756 8.0102 119.4095 59.3901 32.0665 179.5423 57 I 3.6671 7.8459 120.1114 64.3703 37.0961 178.2966 58 S 4.0741 8.2820 114.2627 61.6525 62.1583 175.2985 59 D 4.3003 8.3203 120.9319 57.6487 40.7609 178.3783 60 I 3.8251 7.9282 113.5388 63.3215 37.8326 177.2719 61 L 4.3553 7.9339 118.9885 53.8775 42.0394 176.5444 62 G 3.9258 7.8651 106.8567 46.7670 0.0000 173.5513 63 L 4.8151 7.5357 118.0309 51.9975 44.6595 177.3017 64 D 4.5610 8.3093 121.3631 53.1746 41.5306 177.6285 65 K 3.9003 8.6733 120.9024 59.6718 32.1080 179.3658 66 A 3.9695 8.0372 120.2696 55.1563 18.3643 179.4086 67 A 3.9360 8.9179 119.5735 55.1713 18.3749 180.0529 68 V 3.5124 7.7682 116.7707 66.2039 31.6273 178.2863 69 S 4.0811 8.4124 115.2681 61.7987 62.7406 176.9283 70 R 3.9152 8.0341 120.4699 59.7750 29.8217 179.3735 71 T 3.9447 8.0113 115.4224 66.3839 68.3236 177.0935 72 V 3.5935 8.1945 121.0061 65.7106 31.5078 178.1895 73 K 4.0767 8.0374 118.6695 60.0521 32.4188 178.9859 74 K 3.9481 8.0403 120.9087 59.0683 31.9752 178.5026 75 L 4.3246 7.9676 118.9002 56.9138 41.5443 179.1641 76 E 4.2049 8.2010 120.4940 59.1292 29.2684 178.9874 77 E 3.9472 8.2904 117.4072 59.1700 29.5778 178.7583 78 K 4.1557 7.6025 115.0584 55.7908 32.2958 177.4689 79 K 3.9173 7.8033 117.9530 57.1418 30.0170 176.3795 80 Y 4.7455 8.0004 119.0589 59.1731 39.0579 175.5476 81 I 5.1972 7.8331 119.0235 59.2497 41.3214 174.3548 82 E 4.8559 9.1481 122.4573 54.5915 33.4500 174.6756 83 V 4.7568 8.0205 118.5646 59.8715 34.6731 174.3134 *93 Y 4.1758 8.2135 115.8728 57.8645 38.2814 174.4937 94 A 4.8496 8.5942 126.9885 50.5292 20.7701 175.7831 95 I 4.4680 8.9238 124.3208 59.8969 39.3997 174.8540 96 N 5.2597 8.6158 122.9237 51.1668 43.1084 173.8940 97 L 4.7156 8.4455 121.4473 54.7814 42.7137 177.1401 98 T 4.1690 8.7526 113.5713 60.5932 70.7098 175.3347 99 E 4.1132 8.8000 118.9936 57.0671 29.8446 179.8070 *101 G 3.9689 8.2784 109.4512 45.7778 0.0000 175.8000 102 Q 3.9893 8.3381 121.2870 58.7160 28.8987 178.0045 103 E 3.9346 8.5845 120.7811 59.0379 29.6255 178.2666 104 L 3.7603 7.9981 119.9615 58.4510 42.0024 178.1428 105 Y 4.2721 7.7807 118.6358 60.9022 38.6310 178.0817 106 E 3.7951 8.1498 119.1924 59.2815 29.5179 179.5490 107 V 3.5398 8.3315 118.3831 65.9739 31.4001 178.0108 108 A 3.0792 7.4436 119.4666 54.6922 18.2722 179.6022 109 S 4.1162 7.8144 113.8151 61.8177 62.7051 176.3322 110 D 4.3692 8.1638 119.7594 57.4323 41.0525 178.0674 111 F 4.2111 8.7896 117.1871 59.3206 39.1592 176.3074 112 A 4.7012 7.7168 120.3958 51.9955 19.2491 178.7670 113 I 3.7289 7.7337 117.1924 65.3577 37.4131 177.8226 114 E 4.0237 8.1441 120.0679 59.2640 29.1981 179.1884 115 R 4.0043 8.0169 118.2493 59.1362 30.2023 178.8690 116 E 3.9785 8.0326 118.1221 59.2295 29.2840 179.3555 117 K 4.0181 7.9503 117.9259 59.2394 32.4343 178.8314 118 Q 4.1069 8.0803 119.9321 59.2384 28.7945 178.1020 119 L 4.0096 7.9957 120.1388 57.6056 42.2811 177.9840 120 L 4.2644 7.5052 116.2951 54.2624 41.5691 177.8577 121 E 3.9742 7.8007 121.2236 59.8544 29.4672 178.1050 122 E 4.4661 8.3662 114.4630 56.2435 29.5967 175.5501 123 F 4.7639 8.1897 118.9250 55.7849 40.5635 176.5226 124 E 4.3315 9.6152 125.6581 55.7794 31.3283 178.0135 125 E 4.0434 8.7491 119.4476 59.8342 29.5117 179.6395 126 A 4.0462 8.0260 120.1868 55.1097 18.3839 179.4426 127 E 4.0042 8.1729 116.8253 59.3562 29.6940 179.2643 128 K 3.9653 8.3523 118.5875 59.6542 32.1168 178.8538 129 D 4.5472 8.3916 119.0460 57.7233 40.7721 179.0011 130 Q 4.0089 8.1518 118.2814 58.8341 28.7141 178.5600 131 L 3.8627 8.2468 121.6360 58.4824 42.0887 179.2412 132 F 4.3319 8.1396 117.3589 60.2780 38.7999 177.8546 133 I 3.7827 8.1314 119.9015 64.5057 36.9549 178.4728 134 L 4.0534 8.1727 119.8441 57.6994 41.3619 179.5371 135 L 4.0347 8.1326 119.1095 57.5057 41.4445 179.4514 136 K 3.9643 8.2331 119.6646 59.4603 32.1707 178.8805 137 K 3.9218 8.0420 118.7508 59.5197 31.8798 179.2836 138 L 3.9681 8.0025 119.0026 57.9683 41.6190 179.8215 139 R 3.9231 8.3285 118.3050 59.2301 29.7406 178.7648 140 N 4.3228 8.1668 115.5979 56.3507 38.8904 177.0574 141 K 4.0917 8.0675 120.9100 59.3719 32.0753 178.9778 142 V 3.5973 7.8698 117.9685 66.1996 31.4815 177.3501 143 D 4.4781 8.0090 117.5719 57.0627 40.6798 176.6059 144 Q 4.1826 7.9005 122.1056 56.0212 28.8601 175.4387 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 Q 8.34 4.34 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 3 K 8.45 4.35 0.00 1.79 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 I 7.60 4.35 1.80 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 1.25 0.57 0.69 0.00 0.00 5 N 8.53 4.65 0.00 2.79 2.73 0.00 0.00 7.21 7.94 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 6 I 8.30 3.74 1.87 0.00 0.00 0.81 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 1.01 0.92 0.00 0.00 7 D 8.02 4.59 0.00 2.81 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 8 R 7.98 4.54 0.00 1.79 1.91 0.00 3.27 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 9 H 7.96 4.73 0.00 3.40 3.29 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 10 A 8.38 4.02 1.29 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 0.00 0.00 11 T 7.73 3.75 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 1.21 0.00 0.00 12 A 7.88 4.03 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 13 Q 7.96 4.11 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 14 I 8.05 3.93 2.06 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 1.52 0.98 0.91 0.00 0.00 15 N 7.88 4.54 0.00 2.78 2.83 0.00 0.00 6.68 6.21 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 *17 L 7.97 4.21 0.00 1.84 1.89 0.94 1.20 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 8.06 4.06 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 N 8.07 4.55 0.00 2.78 2.91 0.00 0.00 7.09 6.94 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 20 K 8.05 4.17 0.00 1.77 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 21 L 8.09 4.04 0.00 1.87 1.75 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *23 L 7.62 4.06 0.00 1.79 1.80 0.95 0.62 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 *29 Y 7.26 4.77 0.00 2.89 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 30 T 6.54 4.17 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 0.16 0.00 0.00 31 Q 7.67 4.07 0.00 2.32 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.79 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 32 K 8.31 3.71 0.00 1.75 1.93 0.00 1.82 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.70 1.28 7.81 33 F 8.07 4.23 0.00 3.07 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 34 G 9.13 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 0.00 0.00 0.00 35 I 7.35 4.96 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 1.06 0.00 0.00 36 G 9.44 3.68 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 0.00 0.00 0.00 *38 T 9.09 4.31 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 1.22 0.00 0.00 39 E 8.29 3.98 0.00 2.27 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 2.45 2.42 0.00 40 W 8.34 4.22 0.00 3.33 3.06 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 41 R 8.03 3.74 0.00 2.02 1.92 0.00 3.24 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 42 I 7.81 3.59 1.94 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 1.47 0.81 0.85 0.00 0.00 43 I 7.76 3.46 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 0.64 0.00 0.00 44 S 7.35 3.11 0.00 3.56 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 45 V 7.54 3.56 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 0.94 0.00 0.00 0.85 0.00 0.00 46 L 7.94 3.92 0.00 1.68 1.59 0.86 1.12 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 47 S 7.57 3.79 0.00 2.97 3.41 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 48 S 7.62 4.28 0.00 3.94 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.66 4.43 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 50 S 8.40 4.62 0.00 3.85 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 51 D 8.77 4.30 0.00 2.73 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 52 C 8.05 4.50 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 5.05 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.57 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 1.09 0.00 0.00 0.90 0.00 0.00 55 Q 8.02 3.94 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 56 K 8.01 3.98 0.00 1.85 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.47 7.81 57 I 7.85 3.67 1.97 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 1.36 0.99 0.87 0.00 0.00 58 S 8.28 4.07 0.00 3.91 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 59 D 8.32 4.30 0.00 2.87 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 60 I 7.93 3.83 1.85 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 1.65 0.68 0.93 0.00 0.00 61 L 7.93 4.36 0.00 1.72 1.74 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.87 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 0.00 0.00 0.00 63 L 7.54 4.82 0.00 1.64 1.56 0.92 1.01 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 64 D 8.31 4.56 0.00 2.94 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 65 K 8.67 3.90 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.53 1.51 7.81 66 A 8.04 3.97 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 67 A 8.92 3.94 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 68 V 7.77 3.51 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 1.09 0.00 0.00 0.97 0.00 0.00 69 S 8.41 4.08 0.00 4.03 3.86 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 70 R 8.03 3.92 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 71 T 8.01 3.94 4.36 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 1.23 0.00 0.00 72 V 8.19 3.59 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 1.11 0.00 0.00 0.99 0.00 0.00 73 K 8.04 4.08 0.00 2.02 2.03 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.44 7.81 74 K 8.04 3.95 0.00 1.89 2.05 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.52 7.81 75 L 7.97 4.32 0.00 1.95 1.82 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.20 4.20 0.00 2.17 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 2.51 2.42 0.00 77 E 8.29 3.95 0.00 2.07 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 2.52 0.00 78 K 7.60 4.16 0.00 1.75 1.59 0.00 1.94 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.63 7.81 79 K 7.80 3.92 0.00 1.61 1.84 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.25 7.81 80 Y 8.00 4.75 0.00 3.06 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 81 I 7.83 5.20 1.91 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 1.10 0.92 0.00 0.00 82 E 9.15 4.86 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 2.29 2.22 0.00 83 V 8.02 4.76 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 0.90 0.00 0.00 1.05 0.00 0.00 *93 Y 8.21 4.18 0.00 3.01 3.01 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 94 A 8.59 4.85 1.26 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 0.00 0.00 95 I 8.92 4.47 1.86 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 1.25 1.37 0.90 0.00 0.00 96 N 8.62 5.26 0.00 2.54 2.63 0.00 0.00 6.67 7.94 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 97 L 8.45 4.72 0.00 1.51 1.60 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.75 4.17 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 1.27 0.00 0.00 99 E 8.80 4.11 0.00 2.08 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 2.42 2.35 0.00 *101 G 8.28 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 0.00 102 Q 8.34 3.99 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 103 E 8.58 3.93 0.00 2.10 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 2.34 2.34 0.00 104 L 8.00 3.76 0.00 1.56 1.61 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.78 4.27 0.00 2.90 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 0.00 106 E 8.15 3.80 0.00 2.21 1.97 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 2.39 2.63 0.00 107 V 8.33 3.54 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 0.88 0.00 0.00 0.94 0.00 0.00 108 A 7.44 3.08 0.49 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 0.00 0.00 109 S 7.81 4.12 0.00 3.85 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 0.00 110 D 8.16 4.37 0.00 2.79 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 0.00 111 F 8.79 4.21 0.00 3.14 3.28 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 0.00 112 A 7.72 4.70 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 0.00 113 I 7.73 3.73 1.85 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 1.59 0.64 0.92 0.00 0.00 114 E 8.14 4.02 0.00 1.99 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 2.37 2.32 0.00 115 R 8.02 4.00 0.00 2.04 2.00 0.00 3.30 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 116 E 8.03 3.98 0.00 2.17 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 2.41 2.36 0.00 117 K 7.95 4.02 0.00 1.88 1.87 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.59 7.81 118 Q 8.08 4.11 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 119 L 8.00 4.01 0.00 1.72 1.84 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.51 4.26 0.00 1.68 1.43 0.88 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.80 3.97 0.00 2.10 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 2.39 2.55 0.00 122 E 8.37 4.47 0.00 1.98 1.95 0.00 0.00 0.00 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 2.30 0.00 123 F 8.19 4.76 0.00 3.14 3.02 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 0.00 0.00 0.00 124 E 9.62 4.33 0.00 1.96 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 0.00 2.47 2.49 0.00 125 E 8.75 4.04 0.00 2.01 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 2.44 2.36 0.00 126 A 8.03 4.05 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 0.00 127 E 8.17 4.00 0.00 2.31 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 2.34 2.38 0.00 128 K 8.35 3.97 0.00 2.12 2.07 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.79 7.81 129 D 8.39 4.55 0.00 2.93 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 0.00 130 Q 8.15 4.01 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 131 L 8.25 3.86 0.00 1.69 1.50 0.80 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.14 4.33 0.00 3.19 3.06 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 0.00 133 I 8.13 3.78 2.06 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 1.57 0.80 0.94 0.00 0.00 134 L 8.17 4.05 0.00 1.81 1.71 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.13 4.03 0.00 1.77 1.77 0.81 0.67 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 0.00 136 K 8.23 3.96 0.00 1.97 2.02 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 137 K 8.04 3.92 0.00 2.04 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.69 7.81 138 L 8.00 3.97 0.00 1.88 1.72 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.33 3.92 0.00 1.85 1.99 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 140 N 8.17 4.32 0.00 2.91 2.89 0.00 0.00 7.01 8.02 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 0.00 141 K 8.07 4.09 0.00 1.89 1.92 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 142 V 7.87 3.60 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 0.88 0.00 0.00 0.96 0.00 0.00 143 D 8.01 4.48 0.00 2.90 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 0.00 144 Q 7.90 4.18 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.