NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3724 8.4045 118.7933 57.4897 32.6388 178.6294 2 P 3.9963 0.0000 0.0000 62.6612 29.1465 178.1549 3 S 4.8454 7.9099 128.7564 58.1465 61.9191 177.9601 4 R 4.6637 8.8062 122.1546 57.4874 31.4338 178.0836 *5 F 4.1621 8.3079 120.7629 63.8474 38.1615 183.4159 6 T 4.2072 8.1781 117.5814 66.6259 67.8895 178.4468 7 K 4.3701 7.5414 124.1444 59.8228 31.6738 181.1792 8 T 4.6787 9.5412 114.1053 65.1256 70.2920 180.8016 9 R 4.4543 7.5941 122.6835 54.7865 28.6924 181.0907 10 K 4.6392 8.2167 133.1572 55.9599 32.5122 177.1567 *11 H 4.1300 9.1128 114.2054 56.7594 29.2781 176.2878 12 R 3.7512 8.4334 123.2204 56.0883 28.5056 176.3004 13 G 4.1035 8.3383 108.7619 46.5919 0.0000 174.4798 *14 H 4.1622 8.0778 125.3070 54.3025 33.4890 178.0676 15 V 3.8942 7.3628 125.3042 60.0903 30.2474 174.0851 16 S 5.0997 7.4060 121.6961 55.9101 63.5418 175.6857 17 A 5.5858 7.6397 130.2726 51.6858 20.2792 179.7895 18 G 3.7210 9.3487 109.9230 45.3954 0.0000 172.1601 19 K 4.0142 7.5408 121.3951 54.6736 31.0532 178.3327 20 G 4.1038 7.9111 111.0240 46.1474 0.0000 172.9959 21 R 4.0710 7.9703 121.7456 55.8983 27.9291 181.8999 22 I 3.5649 7.2248 116.4183 59.7148 35.4577 174.2848 23 G 4.0620 8.4316 122.1631 46.3695 0.0000 175.1406 24 K 4.3847 7.4571 125.2725 54.9201 33.9021 181.7710 *25 H 4.9659 8.3824 123.4375 56.5018 26.6018 174.3318 26 R 3.8915 9.2570 118.3593 60.7813 29.7252 176.6783 27 K 4.0223 8.2543 116.6994 56.6201 32.6355 179.3369 *28 H 4.0595 8.7588 116.7689 59.7746 28.6772 170.3865 29 P 4.4528 0.0000 0.0000 66.0022 28.3486 181.7210 30 G 3.3876 6.0539 108.5694 45.5281 0.0000 173.1042 31 G 4.0891 7.5351 111.5249 43.1442 0.0000 174.7287 32 R 4.0718 8.2098 119.6819 56.3431 27.7688 178.0749 33 G 4.0084 8.7781 111.8678 46.5795 0.0000 172.8924 34 M 3.7044 6.9239 118.9299 54.2230 30.4566 177.4468 35 A 4.3768 7.8837 129.1898 51.9529 19.7998 181.5085 36 G 3.8657 8.3386 106.4380 47.6599 0.0000 176.1204 37 G 4.0415 7.5322 116.8316 46.6720 0.0000 173.8976 38 E 4.2837 9.3543 120.9369 56.8091 30.6144 176.9996 *39 H 4.6296 8.3840 117.4461 56.5074 30.5851 180.7285 *40 H 4.2932 9.9646 117.3099 56.7577 27.3063 180.5573 *41 H 4.3209 9.5775 123.3785 56.3743 27.7197 176.6081 42 R 4.3313 7.7579 123.1593 57.4954 32.2780 174.3042 43 I 3.3885 7.0713 115.7122 58.7290 35.7483 176.2592 44 N 4.2699 8.7818 118.1925 52.8818 36.8402 172.8002 45 M 3.0785 10.1173 112.6912 57.2375 28.4659 176.8178 46 D 5.0870 9.0428 122.7423 54.8663 41.1674 175.0342 47 K 4.7464 7.5536 128.0645 52.3173 34.0527 177.4216 *48 Y 3.3829 10.0331 122.9350 59.3113 34.7658 170.4911 *49 H 4.0300 9.4444 115.0967 57.3380 25.4794 175.6889 50 P 4.5158 0.0000 0.0000 62.9054 27.5147 177.5750 51 G 4.2656 7.2506 111.1881 46.8843 0.0000 174.7979 *52 Y 4.6593 7.3177 121.1746 53.3447 37.8188 178.2461 *53 F 4.4914 7.4638 116.3973 54.8486 40.6487 173.6507 54 G 3.0935 8.3731 111.2536 45.7422 0.0000 174.6270 55 K 4.2428 8.3341 131.5398 52.6627 32.8581 175.1345 56 V 5.0986 7.8300 128.4368 60.5811 34.5434 168.0537 57 G 4.2326 7.8376 121.2119 44.4506 0.0000 172.9914 58 M 4.2077 8.1865 117.0703 54.6123 35.4269 178.3952 59 R 4.7997 8.2371 122.7787 56.8975 33.8576 174.3933 *60 Y 4.4423 7.8631 124.6061 59.0220 42.6931 171.8979 *61 F 5.7050 9.3178 131.9553 59.1529 41.6585 177.4698 *62 H 4.6308 7.9287 123.5240 57.1140 28.9236 176.8601 63 K 4.2453 7.9774 121.4232 57.7897 36.2365 172.0102 64 Q 4.5977 8.8497 120.9279 55.2949 29.3290 172.7603 65 Q 3.9344 8.3678 124.4646 53.8191 28.4808 172.4201 66 A 4.3660 7.6832 125.1239 52.4370 21.9455 176.7412 *67 H 4.1331 8.4483 123.5006 56.3241 27.4243 171.3999 *68 F 5.1338 8.9711 128.1406 54.4945 40.7963 169.3323 *69 W 3.5266 9.0616 121.8908 56.8416 25.7318 172.1121 70 K 4.7568 7.1104 129.5170 54.0840 29.0749 176.5064 71 P 4.7503 0.0000 0.0000 62.6592 31.4167 176.3736 72 V 4.1695 8.2997 114.6018 62.8334 32.2353 178.5628 73 L 4.3757 8.1272 118.0252 55.9185 40.4071 182.6802 74 N 5.0181 8.0205 123.4862 54.6921 41.5896 180.6772 75 L 4.4763 8.2683 119.5991 56.3687 41.3560 180.5001 76 D 4.5677 8.0909 122.0988 57.2959 40.0884 183.3842 77 K 3.6130 8.3727 123.2559 57.9672 32.0458 182.3729 78 L 3.4681 7.8099 115.9758 55.3275 40.9896 178.8133 *79 W 4.8595 7.7877 133.6685 57.2585 31.0054 177.2703 80 T 4.6133 7.2024 111.4181 62.3849 70.6175 182.1058 81 L 4.3174 7.8266 118.3068 56.1538 40.1441 184.3153 82 I 3.8396 9.0384 121.0923 64.3199 35.2978 179.9332 83 P 4.4967 0.0000 0.0000 64.0359 31.2653 178.9001 84 E 4.8201 7.4969 115.6648 54.2147 35.1563 176.5397 85 D 4.9250 8.8638 129.1892 54.0192 40.7831 177.4107 86 K 4.4090 9.2156 119.2910 55.8435 30.0580 178.3907 87 R 4.4476 7.6617 124.4769 55.8433 33.1197 179.7068 88 D 4.5202 7.2234 117.6654 56.7070 36.8945 175.2236 89 Q 4.4089 8.8713 121.2298 54.3699 31.3282 178.8593 *90 Y 5.5486 9.0393 135.0000 58.0736 37.7199 176.0999 91 L 4.5273 7.6722 125.7427 54.7608 38.8730 179.9088 92 K 5.1284 7.6638 122.8771 53.8706 33.7696 181.2214 93 S 3.6659 8.4626 115.6130 58.2598 61.2506 173.4444 94 A 4.5160 8.1844 116.1832 56.3002 18.5956 179.8279 95 S 4.1219 10.7700 119.5284 60.2910 59.3555 169.9344 96 K 4.5918 8.8976 119.1503 54.7777 33.2403 179.5155 97 E 4.6156 7.6629 120.3849 53.1412 29.7846 177.9274 98 T 3.5031 7.9265 120.0447 60.5046 68.7049 172.2132 99 A 4.7122 8.2182 129.2696 52.0424 18.9643 176.3063 100 P 4.6409 0.0000 0.0000 63.0824 32.8276 173.6823 101 V 4.8533 8.3420 127.0749 58.4763 31.3509 171.9412 102 I 4.0070 8.0521 130.2991 59.9391 33.9012 175.2932 103 D 4.5557 7.7162 126.0910 54.3555 44.9630 177.1678 104 T 4.4675 8.1340 114.8167 62.8268 71.2223 172.0121 105 L 4.8740 8.6626 118.3253 55.2071 43.2578 175.1364 106 A 4.6456 7.9498 114.7927 54.1085 22.7511 177.5544 107 A 4.3765 8.0772 115.6439 53.0825 20.1225 175.5859 108 G 4.4653 9.1956 106.5872 48.4229 0.0000 174.5728 *109 Y 4.6318 8.2866 112.1442 55.9745 40.4711 173.6186 110 G 3.9653 7.0607 107.2550 46.7410 0.0000 173.6647 111 K 4.8627 7.7424 118.6379 52.8292 32.4847 170.5707 112 I 4.4750 7.2748 122.9783 60.2503 34.5044 175.9591 113 L 4.3370 7.4995 123.1134 52.1404 43.7571 177.6874 114 G 3.5667 7.7248 107.1933 46.9140 0.0000 175.0210 115 K 4.6725 8.1435 129.6100 54.8366 31.3289 172.4655 116 G 4.1551 8.4624 109.7669 45.7267 0.0000 175.8509 117 R 4.8269 9.2714 134.3937 56.1314 31.9940 176.1370 118 I 3.1806 7.8081 117.3617 60.6245 34.8429 178.3942 119 P 5.8500 0.0000 0.0000 65.3694 31.6331 172.1931 120 N 4.5909 8.2660 117.2912 53.2264 38.9599 180.4645 121 V 4.8057 8.8551 119.0120 62.4708 34.8169 173.9894 122 P 4.9795 0.0000 0.0000 61.0452 33.5513 174.4124 123 V 4.1414 8.1280 125.5774 60.9316 33.1358 175.3366 124 I 4.4785 8.7458 126.5185 58.9897 38.3793 174.6608 125 V 4.4266 8.4371 130.3993 60.1778 33.2969 173.1370 126 K 4.4938 8.0645 125.9678 57.1244 38.9220 171.9095 127 A 4.5936 8.6824 124.5464 55.4077 22.4468 179.2287 128 R 4.2224 7.7325 118.2972 57.8587 29.5149 182.8573 *129 F 3.6382 8.0399 121.0902 59.8589 37.6446 176.9682 130 V 4.2892 8.2764 118.2104 61.8221 35.6312 173.0604 131 S 3.9326 9.1616 113.7021 60.5457 61.4340 173.0052 132 K 3.8225 9.2352 118.0152 57.1664 30.9143 182.0898 133 L 4.2094 10.8200 114.4379 56.7776 40.3580 182.8073 134 A 4.0050 7.7851 123.7201 55.3390 18.6402 179.8512 135 E 3.6659 7.6883 110.6690 59.8634 30.5348 181.8914 136 E 4.2520 8.2577 121.5462 60.2131 30.3127 180.9847 137 K 4.6680 9.3561 124.9789 60.2965 33.1885 184.1228 138 I 3.9561 7.8271 123.6316 65.7745 35.2007 180.5579 139 R 4.2199 8.1953 123.0467 59.7836 29.2873 180.2161 140 A 4.4457 7.6443 118.0271 54.8094 19.5398 177.6561 141 A 4.4260 8.6653 120.6289 51.6327 19.5276 175.6096 142 G 4.0649 8.1036 114.1667 46.0384 0.0000 170.9813 143 G 4.3646 7.6032 106.7073 44.2782 0.0000 174.6048 144 V 4.6630 8.2112 124.6344 60.9697 35.4628 173.2819 145 V 4.8410 8.5739 128.0958 60.0056 33.4572 172.3352 146 E 4.4743 9.1251 122.4919 56.7298 34.1575 175.5164 147 L 5.1525 10.3936 120.4800 52.8875 42.6076 177.7491 148 I 3.6405 9.5322 130.1104 60.2860 37.3166 175.8677 149 A 4.2513 7.3972 129.6742 51.2920 18.5023 176.5710 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 1 M 8.40 4.37 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 P 0.00 4.00 0.00 2.20 1.96 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.65 0.00 3 S 7.91 4.85 0.00 3.62 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 4 R 8.81 4.66 0.00 1.68 1.89 0.00 3.22 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 *5 F 8.31 4.16 0.00 2.28 2.32 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 6 T 8.18 4.21 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 K 7.54 4.37 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 8 T 9.54 4.68 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 9 R 7.59 4.45 0.00 1.84 1.81 0.00 3.37 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 10 K 8.22 4.64 0.00 1.83 1.51 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.12 0.74 7.81 *11 H 9.11 4.13 0.00 2.92 2.91 0.00 7.32 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.43 3.75 0.00 1.95 1.78 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 13 G 8.34 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 *14 H 8.08 4.16 0.00 2.88 2.85 0.00 7.22 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.36 3.89 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 0.63 0.00 0.00 0.93 0.00 0.00 16 S 7.41 5.10 0.00 3.60 3.69 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 17 A 7.64 5.59 1.03 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 18 G 9.35 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 19 K 7.54 4.01 0.00 1.97 1.69 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 0.99 7.81 20 G 7.91 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 21 R 7.97 4.07 0.00 1.84 1.80 0.00 3.23 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 22 I 7.22 3.56 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 1.35 0.94 0.91 0.00 0.00 23 G 8.43 4.06 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 0.00 0.00 0.00 24 K 7.46 4.38 0.00 1.79 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *25 H 8.38 4.97 0.00 2.92 2.57 0.00 7.19 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 26 R 9.26 3.89 0.00 1.82 1.90 0.00 3.26 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 27 K 8.25 4.02 0.00 1.85 1.92 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.00 7.81 *28 H 8.76 4.06 0.00 2.93 3.02 0.00 7.19 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.45 0.00 2.08 1.93 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 30 G 6.05 3.39 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 0.00 31 G 7.54 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 0.00 0.00 0.00 32 R 8.21 4.07 0.00 1.85 1.78 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 33 G 8.78 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 34 M 6.92 3.70 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.17 0.00 35 A 7.88 4.38 1.09 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 0.00 0.00 36 G 8.34 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.53 4.04 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 38 E 9.35 4.28 0.00 2.00 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 2.23 1.87 0.00 *39 H 8.38 4.63 0.00 2.93 2.67 0.00 7.18 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 *40 H 9.96 4.29 0.00 2.92 2.58 0.00 7.17 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 *41 H 9.58 4.32 0.00 2.92 2.94 0.00 7.11 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.76 4.33 0.00 1.77 1.76 0.00 3.25 0.00 0.00 3.26 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 43 I 7.07 3.39 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 1.27 1.05 0.91 0.00 0.00 44 N 8.78 4.27 0.00 2.73 1.92 0.00 0.00 6.79 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 45 M 10.12 3.08 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.08 0.00 46 D 9.04 5.09 0.00 2.83 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 47 K 7.55 4.75 0.00 1.70 0.74 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.98 7.81 *48 Y 10.03 3.38 0.00 2.49 1.75 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 *49 H 9.44 4.03 0.00 3.01 3.19 0.00 7.29 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.52 0.00 2.15 1.96 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 51 G 7.25 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 *52 Y 7.32 4.66 0.00 2.29 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 0.00 0.00 0.00 *53 F 7.46 4.49 0.00 2.23 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 0.00 0.00 0.00 0.00 54 G 8.37 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 0.00 0.00 0.00 55 K 8.33 4.24 0.00 1.79 1.60 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 0.99 7.81 56 V 7.83 5.10 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 0.81 0.00 0.00 0.93 0.00 0.00 57 G 7.84 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 0.00 0.00 0.00 0.00 58 M 8.19 4.21 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.90 0.00 59 R 8.24 4.80 0.00 1.81 1.78 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 *60 Y 7.86 4.44 0.00 2.26 1.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.32 5.70 0.00 2.41 2.24 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 *62 H 7.93 4.63 0.00 2.92 2.91 0.00 7.21 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.98 4.25 0.00 1.70 1.41 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.16 0.88 7.81 64 Q 8.85 4.60 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.09 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 65 Q 8.37 3.93 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 66 A 7.68 4.37 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 *67 H 8.45 4.13 0.00 2.87 3.03 0.00 7.15 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 F 8.97 5.13 0.00 2.24 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 0.00 0.00 0.00 *69 W 9.06 3.53 0.00 2.60 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 0.00 0.00 0.00 0.00 70 K 7.11 4.76 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 71 P 0.00 4.75 0.00 2.08 1.90 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 72 V 8.30 4.17 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 0.69 0.00 0.00 0.93 0.00 0.00 73 L 8.13 4.38 0.00 1.66 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.02 5.02 0.00 2.60 2.78 0.00 0.00 7.17 6.64 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 75 L 8.27 4.48 0.00 1.66 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.09 4.57 0.00 2.54 2.68 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 77 K 8.37 3.61 0.00 1.67 1.84 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.05 7.81 78 L 7.81 3.47 0.00 1.74 1.87 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 *79 W 7.79 4.86 0.00 2.42 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 0.00 0.00 0.00 0.00 80 T 7.20 4.61 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 81 L 7.83 4.32 0.00 1.66 1.58 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 I 9.04 3.84 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 1.16 1.10 0.91 0.00 0.00 83 P 0.00 4.50 0.00 2.08 1.94 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 84 E 7.50 4.82 0.00 1.92 1.69 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 2.13 1.87 0.00 85 D 8.86 4.93 0.00 2.75 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 0.00 0.00 0.00 86 K 9.22 4.41 0.00 1.77 1.67 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 R 7.66 4.45 0.00 1.71 1.81 0.00 3.22 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 88 D 7.22 4.52 0.00 2.75 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 89 Q 8.87 4.41 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 *90 Y 9.04 5.55 0.00 2.33 2.37 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 91 L 7.67 4.53 0.00 1.71 1.91 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.66 5.13 0.00 1.76 1.61 0.00 1.82 0.00 0.00 2.40 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 0.95 7.81 93 S 8.46 3.67 0.00 3.75 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 94 A 8.18 4.52 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 95 S 10.77 4.12 0.00 3.84 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 96 K 8.90 4.59 0.00 1.72 1.63 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 0.98 7.81 97 E 7.66 4.62 0.00 2.13 1.75 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 2.14 2.08 0.00 98 T 7.93 3.50 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 99 A 8.22 4.71 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 0.00 100 P 0.00 4.64 0.00 1.77 1.93 0.00 3.68 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 1.96 1.58 0.00 101 V 8.34 4.85 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 0.88 0.00 0.00 0.93 0.00 0.00 102 I 8.05 4.01 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 1.10 0.91 0.00 0.00 103 D 7.72 4.56 0.00 2.62 2.44 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 0.00 104 T 8.13 4.47 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 0.00 105 L 8.66 4.87 0.00 1.60 1.53 0.92 0.59 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 0.00 106 A 7.95 4.65 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 0.00 107 A 8.08 4.38 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 0.00 108 G 9.20 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 *109 Y 8.29 4.63 0.00 2.28 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 0.00 0.00 0.00 0.00 110 G 7.06 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 0.00 111 K 7.74 4.86 0.00 1.72 1.56 0.00 1.75 0.00 0.00 2.40 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 0.95 7.81 112 I 7.27 4.48 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 1.27 1.50 0.91 0.00 0.00 113 L 7.50 4.34 0.00 1.63 1.46 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.72 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 0.00 115 K 8.14 4.67 0.00 1.79 1.30 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.00 7.81 116 G 8.46 4.16 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 0.00 0.00 0.00 117 R 9.27 4.83 0.00 1.85 1.82 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.00 118 I 7.81 3.18 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 1.27 1.01 0.91 0.00 0.00 119 P 0.00 5.85 0.00 2.18 2.03 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 120 N 8.27 4.59 0.00 2.48 2.43 0.00 0.00 6.34 7.67 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 0.00 121 V 8.86 4.81 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 1.01 0.00 0.00 0.93 0.00 0.00 122 P 0.00 4.98 0.00 1.74 1.92 0.00 3.69 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 1.94 1.57 0.00 123 V 8.13 4.14 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 0.81 0.00 0.00 0.93 0.00 0.00 124 I 8.75 4.48 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 0.68 0.91 0.00 0.00 125 V 8.44 4.43 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 0.62 0.00 0.00 0.93 0.00 0.00 126 K 8.06 4.49 0.00 1.41 1.64 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.12 1.09 7.81 127 A 8.68 4.59 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 0.00 128 R 7.73 4.22 0.00 1.75 1.91 0.00 3.40 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *129 F 8.04 3.64 0.00 2.36 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 0.00 0.00 0.00 130 V 8.28 4.29 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 0.60 0.00 0.00 0.93 0.00 0.00 131 S 9.16 3.93 0.00 3.77 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 0.00 132 K 9.24 3.82 0.00 1.79 1.87 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.23 7.81 133 L 10.82 4.21 0.00 1.66 1.60 0.92 0.80 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 0.00 134 A 7.79 4.01 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 0.00 135 E 7.69 3.67 0.00 1.91 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 2.32 1.93 0.00 136 E 8.26 4.25 0.00 2.09 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 2.27 2.21 0.00 137 K 9.36 4.67 0.00 1.74 1.81 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.29 7.81 138 I 7.83 3.96 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 1.50 0.53 0.91 0.00 0.00 139 R 8.20 4.22 0.00 1.93 1.89 0.00 3.22 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 0.00 140 A 7.64 4.45 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 0.00 141 A 8.67 4.43 1.30 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 0.00 142 G 8.10 4.06 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 0.00 0.00 0.00 143 G 7.60 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 0.00 0.00 0.00 0.00 144 V 8.21 4.66 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 0.67 0.00 0.00 0.93 0.00 0.00 145 V 8.57 4.84 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 0.86 0.00 0.00 0.93 0.00 0.00 146 E 9.13 4.47 0.00 1.60 1.76 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 2.13 2.11 0.00 147 L 10.39 5.15 0.00 1.63 1.33 0.92 0.91 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 0.00 148 I 9.53 3.64 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 1.35 0.89 0.91 0.00 0.00 149 A 7.40 4.25 1.36 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.