NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4878 8.1693 120.6405 54.9672 43.1287 175.6484 8 H 4.8529 8.4911 115.0839 53.1924 31.3521 171.3797 9 K 4.5344 9.3614 122.8483 55.9535 34.0375 177.1830 10 E 5.0114 9.2037 124.2849 53.6286 32.9798 173.9708 11 P 4.8178 0.0000 0.0000 63.2567 32.4307 174.8570 12 A 4.9468 8.4051 121.8755 51.3980 23.2488 175.5007 13 T 4.6121 8.5823 114.9005 61.3638 72.2028 173.9704 14 L 4.2355 8.7713 128.6969 55.9132 42.2483 175.6465 15 I 4.3708 8.3375 126.2772 62.2243 39.2210 176.1049 16 K 4.4064 7.4953 118.7818 55.2441 35.2061 174.2434 17 A 4.4465 8.8025 128.7735 52.4930 18.9190 176.2869 18 I 4.2973 8.0754 118.2383 61.6824 39.9448 175.3851 19 D 4.4719 7.5421 116.0734 53.4658 42.5400 175.9256 20 G 3.9394 9.0364 107.9054 48.4164 0.0000 174.0330 21 D 4.8638 7.7064 117.6050 52.7646 40.1202 175.4198 22 T 5.3223 7.9387 116.3354 62.2722 73.1034 173.2550 23 V 4.7754 8.6344 123.8796 60.1070 35.5939 173.5283 24 K 4.9371 9.2520 125.4229 55.5667 33.4906 175.3280 25 L 5.3344 9.6520 127.1603 53.1254 46.4197 175.2588 26 M 4.9015 9.2060 122.1638 54.8235 33.6714 174.2060 27 Y 5.0163 9.0390 128.0867 56.0948 42.0867 175.5951 28 K 3.5453 9.4820 126.2838 57.5053 29.6859 176.4030 29 G 4.0113 8.5718 105.3547 45.3321 0.0000 173.8547 30 Q 4.8476 7.8263 117.9833 53.2104 31.9072 173.3270 31 P 5.0012 0.0000 0.0000 63.6280 32.3523 175.1322 32 M 4.8207 9.4460 120.9772 54.8297 36.3860 173.2357 33 T 4.8826 8.4325 121.5291 62.5350 70.7932 173.4567 34 F 4.9705 9.4205 125.1952 55.5866 42.1421 174.3297 35 R 4.8064 8.9893 124.2162 54.3126 31.7152 175.2697 36 L 4.2617 8.5350 127.6762 54.7733 42.3598 177.4366 37 L 3.8555 8.8235 124.8879 55.4536 42.8522 177.4743 38 L 3.6864 8.7358 119.9553 55.5231 39.5562 173.9897 39 V 4.8988 7.3183 109.3999 59.6480 35.1864 175.3411 40 D 4.8555 9.2738 124.1716 52.8713 43.3567 175.6102 41 T 4.6268 8.2894 113.7958 59.5094 70.9044 172.9608 42 P 4.4160 0.0000 0.0000 61.9988 32.3317 176.2997 43 E 4.1850 9.5972 122.9236 56.3301 30.1818 177.4467 44 T 4.6521 8.4028 113.8382 61.8728 71.2085 174.7763 45 K 4.4163 7.4163 119.6625 54.8068 32.4328 175.0642 *51 V 4.0438 7.4136 121.9414 63.6065 33.0591 174.3551 52 E 4.7708 9.0344 125.4193 53.8493 32.7067 175.3308 53 K 3.7984 8.5312 123.0278 58.4921 32.4995 176.7203 54 Y 4.4843 8.0066 121.4308 58.7790 36.5996 171.5587 55 G 3.6816 8.3780 108.4734 47.4878 0.0000 174.2318 56 P 4.3790 0.0000 0.0000 64.9472 31.3159 178.4080 57 E 3.9636 8.0859 118.1680 59.2869 29.5417 178.6229 58 A 3.9793 8.2977 121.1108 55.4717 17.9268 179.8425 59 S 4.1834 8.0459 112.9454 61.7666 62.8377 176.9033 60 A 4.0679 8.1605 123.5147 54.9219 18.0110 179.3050 61 F 3.9629 8.5750 119.4302 61.8683 39.2079 177.3361 62 T 3.9243 8.3327 115.2115 66.5252 68.3286 176.3156 63 K 3.9073 8.1473 121.3302 59.4898 32.2209 178.6616 64 K 3.8509 8.2918 120.0841 59.6224 31.8990 178.3157 65 M 3.8080 7.7096 117.4244 58.8240 32.2391 177.6930 66 N 4.4687 8.0572 116.5181 56.1328 38.4664 177.3600 67 E 3.9680 8.0027 119.2877 59.4726 29.7184 178.7095 68 N 4.4851 8.1017 113.7421 53.7075 39.1929 175.6622 69 A 4.3539 6.8878 124.0337 51.9545 19.1791 177.5321 70 K 4.1564 9.2653 123.6249 58.3193 32.8875 177.5599 71 K 4.7079 9.1342 117.9606 54.5145 36.0654 175.4822 72 I 4.9918 8.3977 124.6531 59.6150 40.1409 174.3945 73 E 5.1077 9.3300 125.1141 54.5568 34.0543 174.6160 74 V 4.3638 8.9347 122.8140 61.0449 34.1080 174.0558 75 E 5.0944 9.0203 128.8108 54.2468 31.6744 174.8780 76 F 4.5249 8.7859 125.5638 57.6076 40.0788 175.4933 77 D 4.9950 8.5767 121.3544 53.1197 43.1477 175.8354 78 K 4.3489 9.2862 118.1075 57.7421 33.5186 177.4341 79 G 4.4122 7.8661 110.1600 43.8908 0.0000 173.2670 80 Q 4.1066 8.6102 119.9301 56.5847 29.3207 176.7610 81 R 4.5429 8.5821 119.9707 57.0798 31.0346 176.2828 82 T 5.0764 7.5483 107.0724 59.6143 71.8595 173.4657 83 D 4.8290 8.7570 124.4829 51.8466 41.1062 177.2047 84 K 3.9242 8.5102 117.4664 59.6325 32.3900 177.0799 85 Y 4.3732 8.1509 115.9324 57.6345 37.7835 176.1799 86 G 3.9144 8.1046 107.2081 45.7795 0.0000 174.0307 87 R 4.3848 8.4822 119.9333 54.8012 31.8357 176.3955 88 G 3.5740 8.3793 111.3977 46.2073 0.0000 172.4419 89 L 5.2715 9.2941 125.1670 53.3113 42.9721 175.5369 90 A 4.4102 8.3401 125.0696 51.1785 23.6273 173.6875 91 Y 4.8475 8.5969 116.6060 56.7797 40.1342 175.4389 92 I 4.8080 8.6098 124.4021 59.6643 40.1859 174.1242 93 Y 5.0876 9.0789 123.8558 56.0264 41.3579 174.6147 94 A 4.8558 9.0565 125.6438 50.0696 21.3698 176.2110 95 D 4.4910 10.0957 124.9903 56.1715 38.9474 175.7743 96 G 3.9922 8.3761 105.3006 45.4569 0.0000 173.6497 97 K 4.4891 7.8220 120.2922 54.9615 33.5747 175.4497 98 M 4.0504 8.5016 123.3200 54.9821 33.0257 177.1029 99 V 3.6353 8.6529 127.3672 65.9714 31.8224 177.5877 100 N 4.2770 8.0253 115.8484 56.4272 38.4417 176.7774 101 E 3.8870 8.0566 119.6681 59.1659 29.8508 178.2107 102 A 4.0711 8.3187 121.2217 55.2983 18.3600 179.5315 103 L 3.3416 8.1791 117.4748 57.8097 41.6485 179.9754 104 V 3.7847 7.4362 118.7994 65.5667 31.2822 177.9511 105 R 4.0442 8.1047 117.5532 59.3374 29.9844 177.3830 106 Q 4.2084 7.9066 116.3877 55.5387 29.4020 175.6832 107 G 3.8465 8.1382 107.1201 47.5541 0.0000 174.6884 108 L 4.4440 7.5712 116.6645 53.7092 42.1771 176.2356 109 A 4.5095 7.2840 118.9448 51.0955 22.4805 176.0985 110 K 4.5622 8.6950 120.0191 54.7515 35.0224 176.0959 111 V 4.3151 8.6059 122.2780 62.8788 32.1267 175.7001 112 A 4.6305 8.4809 129.6271 50.4061 20.7913 176.5659 113 Y 4.1209 8.4777 116.7284 57.7669 38.5407 177.0734 114 V 3.8506 8.4584 122.8833 63.2575 32.4364 174.6259 115 Y 4.5769 8.3851 125.2992 57.0533 41.4448 175.7693 116 K 3.5712 9.1884 127.9589 57.4835 29.6416 176.0656 117 G 4.0333 8.0641 104.2740 45.9092 0.0000 174.1557 118 N 4.8638 8.2330 118.9504 51.9075 37.2058 174.1570 119 N 5.1554 8.1798 114.9691 52.2419 39.1570 176.9259 120 T 3.8378 8.5407 117.2263 67.4884 68.7214 174.8774 121 H 4.8464 8.1228 116.3488 55.7575 29.1511 176.7588 122 E 4.0031 8.3484 123.2773 59.7089 29.2824 178.9334 123 Q 3.9837 8.0386 117.5159 58.7115 28.8677 178.1381 124 L 3.9324 7.9298 120.8811 58.4217 42.0793 179.0384 125 L 4.0512 8.0517 118.7316 57.4660 41.4895 179.2976 126 R 3.8756 8.2436 119.2699 59.4602 29.9892 178.7956 127 K 3.9099 8.3605 118.1016 59.4347 32.0983 179.1215 128 A 4.0040 7.9188 121.0189 55.2544 18.2340 179.3593 129 E 3.9678 8.5439 117.7366 59.2453 29.7442 178.8146 130 A 3.7616 7.8861 120.9088 55.1000 18.4451 179.3989 131 Q 3.8086 8.0711 117.7736 59.2708 29.0878 178.2744 132 A 4.0287 7.9783 121.8226 54.9864 18.4236 179.5861 133 K 3.2266 7.7280 118.0569 59.2864 31.9360 178.8663 134 K 3.9010 8.0185 118.9762 59.2781 32.0870 177.5052 135 E 4.3102 7.9772 115.7408 54.9917 30.1450 176.1204 136 K 4.0400 8.3910 118.8704 57.0927 30.6709 174.5476 137 L 4.2778 8.2908 120.1763 55.7702 44.6111 176.7963 138 N 3.5633 9.2551 122.3523 53.9861 38.1544 176.4262 139 I 2.7061 5.4200 126.4332 64.7675 37.4141 176.6677 140 W 4.8020 7.6843 117.3379 56.9488 29.3650 176.5563 141 S 4.8435 8.6580 121.0203 58.3517 62.2556 174.1156 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 7 L 8.17 4.49 0.00 1.74 1.81 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.49 4.85 0.00 3.32 3.25 0.00 5.52 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 9 K 9.36 4.53 0.00 1.58 1.68 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.11 1.28 7.81 10 E 9.20 5.01 0.00 2.12 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 2.30 2.21 0.00 11 P 0.00 4.82 0.00 2.10 2.07 0.00 3.84 0.00 0.00 3.71 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 12 A 8.41 4.95 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 13 T 8.58 4.61 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 1.23 0.00 0.00 14 L 8.77 4.24 0.00 1.65 1.58 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.34 4.37 2.08 0.00 0.00 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 1.15 1.04 0.94 0.00 0.00 16 K 7.50 4.41 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.38 7.81 17 A 8.80 4.45 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 18 I 8.08 4.30 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 1.47 0.73 0.90 0.00 0.00 19 D 7.54 4.47 0.00 2.80 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 20 G 9.04 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 21 D 7.71 4.86 0.00 2.97 2.85 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 0.00 0.00 0.00 22 T 7.94 5.32 4.38 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 1.24 0.00 0.00 23 V 8.63 4.78 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 0.83 0.00 0.00 0.94 0.00 0.00 24 K 9.25 4.94 0.00 1.90 1.99 0.00 1.52 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.51 7.81 25 L 9.65 5.33 0.00 1.82 1.61 0.90 0.30 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 26 M 9.21 4.90 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 27 Y 9.04 5.02 0.00 3.31 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 28 K 9.48 3.55 0.00 1.70 1.63 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.76 0.21 7.81 29 G 8.57 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 30 Q 7.83 4.85 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 31 P 0.00 5.00 0.00 2.15 2.15 0.00 3.82 0.00 0.00 3.63 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 32 M 9.45 4.82 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 33 T 8.43 4.88 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 1.20 0.00 0.00 34 F 9.42 4.97 0.00 2.89 2.84 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 35 R 8.99 4.81 0.00 1.81 1.73 0.00 3.29 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 36 L 8.54 4.26 0.00 1.52 1.57 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.82 3.86 0.00 0.95 1.22 0.25 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.74 3.69 0.00 1.98 1.80 1.22 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.32 4.90 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 0.75 0.00 0.00 0.96 0.00 0.00 40 D 9.27 4.86 0.00 2.48 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 41 T 8.29 4.63 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 1.21 0.00 0.00 42 P 0.00 4.42 0.00 2.15 2.07 0.00 3.64 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 2.03 1.99 0.00 43 E 9.60 4.18 0.00 2.26 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 2.27 2.34 0.00 44 T 8.40 4.65 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 1.22 0.00 0.00 45 K 7.42 4.42 0.00 1.79 1.78 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.37 7.81 *51 V 7.41 4.04 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 0.76 0.00 0.00 0.96 0.00 0.00 52 E 9.03 4.77 0.00 1.86 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 2.34 0.00 53 K 8.53 3.80 0.00 1.61 1.68 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.23 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.11 0.37 7.81 54 Y 8.01 4.48 0.00 3.17 2.96 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 55 G 8.38 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 56 P 0.00 4.38 0.00 2.27 2.31 0.00 3.72 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 2.04 2.02 0.00 57 E 8.09 3.96 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 58 A 8.30 3.98 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 59 S 8.05 4.18 0.00 4.07 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 60 A 8.16 4.07 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 61 F 8.57 3.96 0.00 3.24 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 62 T 8.33 3.92 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 1.27 0.00 0.00 63 K 8.15 3.91 0.00 1.94 2.00 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.45 7.81 64 K 8.29 3.85 0.00 1.88 1.73 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.38 7.81 65 M 7.71 3.81 0.00 1.84 1.54 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 66 N 8.06 4.47 0.00 2.77 2.81 0.00 0.00 7.08 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 67 E 8.00 3.97 0.00 2.14 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 2.43 0.00 68 N 8.10 4.49 0.00 2.64 2.83 0.00 0.00 7.05 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 69 A 6.89 4.35 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 70 K 9.27 4.16 0.00 1.72 2.03 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.40 7.81 71 K 9.13 4.71 0.00 1.64 1.64 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.40 4.99 2.00 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 1.33 1.42 0.89 0.00 0.00 73 E 9.33 5.11 0.00 1.91 1.84 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 2.21 2.22 0.00 74 V 8.93 4.36 1.80 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 -0.01 0.00 0.00 -0.03 0.00 0.00 75 E 9.02 5.09 0.00 2.26 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 0.00 2.52 2.40 0.00 76 F 8.79 4.52 0.00 3.06 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 77 D 8.58 4.99 0.00 2.73 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 78 K 9.29 4.35 0.00 1.92 1.98 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.43 7.81 79 G 7.87 4.41 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 0.00 0.00 0.00 80 Q 8.61 4.11 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 81 R 8.58 4.54 0.00 1.69 1.71 0.00 3.30 0.00 0.00 3.62 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.24 0.00 82 T 7.55 5.08 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 1.19 0.00 0.00 83 D 8.76 4.83 0.00 2.87 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 84 K 8.51 3.92 0.00 1.62 1.89 0.00 1.34 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 0.34 7.81 85 Y 8.15 4.37 0.00 3.05 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 86 G 8.10 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 87 R 8.48 4.38 0.00 2.03 1.77 0.00 3.08 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 88 G 8.38 3.57 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 0.00 0.00 0.00 89 L 9.29 5.27 0.00 1.59 1.64 1.01 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.34 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.60 4.85 0.00 3.01 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.61 4.81 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.79 0.00 0.00 93 Y 9.08 5.09 0.00 2.81 2.82 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 94 A 9.06 4.86 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 95 D 10.10 4.49 0.00 2.76 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 96 G 8.38 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 0.00 0.00 0.00 97 K 7.82 4.49 0.00 2.02 1.76 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 98 M 8.50 4.05 0.00 1.90 1.69 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.30 0.00 99 V 8.65 3.64 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 1.14 0.00 0.00 0.88 0.00 0.00 100 N 8.03 4.28 0.00 2.88 2.91 0.00 0.00 6.78 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 0.00 101 E 8.06 3.89 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 2.37 2.36 0.00 102 A 8.32 4.07 1.67 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 0.00 0.00 103 L 8.18 3.34 0.00 1.91 1.60 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.44 3.78 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 1.42 0.00 0.00 1.00 0.00 0.00 105 R 8.10 4.04 0.00 1.84 2.13 0.00 3.36 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 106 Q 7.91 4.21 0.00 1.88 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.43 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 107 G 8.14 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.57 4.44 0.00 1.25 1.47 0.56 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.28 4.51 1.10 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 0.00 110 K 8.69 4.56 0.00 1.67 1.75 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.06 1.27 7.81 111 V 8.61 4.32 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 0.77 0.00 0.00 1.01 0.00 0.00 112 A 8.48 4.63 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 0.00 113 Y 8.48 4.12 0.00 3.04 2.94 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 0.00 114 V 8.46 3.85 2.18 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 0.83 0.00 0.00 1.07 0.00 0.00 115 Y 8.39 4.58 0.00 3.07 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 0.00 116 K 9.19 3.57 0.00 1.60 1.67 0.00 1.48 0.00 0.00 1.26 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.84 7.81 117 G 8.06 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 0.00 118 N 8.23 4.86 0.00 2.95 2.86 0.00 0.00 6.67 7.75 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 0.00 119 N 8.18 5.16 0.00 2.87 3.03 0.00 0.00 6.10 7.22 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 0.00 120 T 8.54 3.84 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 1.02 0.00 0.00 121 H 8.12 4.85 0.00 3.00 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.35 4.00 0.00 2.13 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 2.34 2.40 0.00 123 Q 8.04 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 L 7.93 3.93 0.00 1.76 1.84 0.91 0.62 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 0.00 125 L 8.05 4.05 0.00 1.79 1.73 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.24 3.88 0.00 2.16 2.01 0.00 3.28 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 1.62 1.71 0.00 127 K 8.36 3.91 0.00 1.97 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.69 7.81 128 A 7.92 4.00 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 0.00 129 E 8.54 3.97 0.00 2.19 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 2.35 2.66 0.00 130 A 7.89 3.76 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 0.00 131 Q 8.07 3.81 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 132 A 7.98 4.03 1.64 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 0.00 133 K 7.73 3.23 0.00 0.79 1.41 0.00 1.14 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.21 7.81 134 K 8.02 3.90 0.00 1.74 1.96 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 7.98 4.31 0.00 1.99 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 0.00 2.29 2.58 0.00 136 K 8.39 4.04 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.35 7.81 137 L 8.29 4.28 0.00 1.90 1.56 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.26 3.56 0.00 2.56 1.42 0.00 0.00 7.12 7.32 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 0.00 139 I 5.42 2.71 1.12 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.03 0.07 0.00 0.00 140 W 7.68 4.80 0.00 3.44 3.09 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 0.00 141 S 8.66 4.84 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.