NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3022 0.0000 0.0000 61.9150 32.3146 175.5753 3 K 3.8762 8.7887 123.3280 55.6226 32.4806 175.0581 4 K 4.0031 9.1955 127.7350 56.7154 34.1134 175.0180 5 V 5.1030 8.1730 122.9331 61.3546 34.5363 174.3220 6 L 4.8408 8.9120 126.6120 53.1273 45.7747 175.3163 7 T 4.8713 7.8686 117.1599 62.0789 71.3226 173.7418 8 G 3.9454 8.0041 111.4806 46.2506 0.0000 171.8134 9 V 4.8263 8.0136 119.2588 60.9208 34.5784 175.5303 10 V 4.2491 8.1946 126.1883 62.5616 31.8700 176.0879 11 V 4.4343 7.9648 120.8969 60.6106 32.4834 175.8329 12 S 4.7903 7.5268 112.7706 58.0782 65.1443 175.9604 13 D 4.8815 8.8447 121.6223 52.8908 41.5733 176.4267 14 K 4.4179 7.4443 121.8309 56.0878 30.7348 175.9594 15 M 4.8502 7.3535 116.1278 54.0811 36.5406 174.8740 16 Q 4.3220 8.5856 119.5970 56.3857 29.8794 176.2456 17 K 4.0965 8.7631 121.6547 57.0616 30.0469 174.2062 18 T 4.9932 7.5636 110.9818 62.7430 72.9632 173.9022 19 V 4.6452 9.0326 116.0672 60.2002 36.8660 174.3536 20 T 4.9143 8.3813 118.8383 61.8767 71.0666 173.6105 21 V 4.6869 8.9080 127.0248 60.8488 33.8985 174.2033 22 L 4.5073 8.6582 131.7680 54.7448 43.4492 175.6587 23 V 4.6234 9.3508 126.5969 61.1736 34.2623 174.5001 24 E 4.9608 8.9035 127.5808 56.2883 30.7123 176.3712 25 R 4.7551 8.6070 117.5074 55.3480 33.1009 174.0108 26 Q 5.2295 8.3477 120.8009 54.2979 32.0039 174.3586 27 F 4.7617 7.7547 111.2883 55.5084 41.3553 171.6380 28 P 4.7672 0.0000 0.0000 62.8387 32.0971 175.6630 29 H 4.4721 8.9334 124.9853 55.2863 30.5943 174.3161 30 P 4.5174 0.0000 0.0000 64.1206 30.9794 175.7378 31 L 4.4106 8.2148 118.6392 56.0153 47.8102 174.6288 32 Y 4.9021 7.9648 113.3477 57.2699 38.6413 175.3252 33 G 4.0277 7.3106 112.0500 45.0282 0.0000 172.9094 34 K 4.4115 7.0136 118.6111 51.4059 34.9148 174.7693 35 V 4.1698 8.3694 127.7273 62.6325 32.5705 174.8865 36 I 4.4088 8.1828 121.4616 58.9270 39.9110 174.7773 37 K 4.6090 8.5094 125.7801 55.7855 33.6791 176.0334 38 R 4.9443 9.1564 124.7108 56.4194 33.7866 173.5945 39 S 5.1687 8.5213 110.1402 58.5115 65.2824 175.0671 40 K 4.4959 8.7829 120.5332 55.4749 35.8159 174.2204 41 K 5.0351 8.4085 125.2563 55.2380 34.1209 175.4157 42 Y 4.6076 8.8338 121.2252 56.2390 41.9226 175.1093 43 L 4.9756 8.8031 123.5175 53.7563 41.5697 175.7797 44 A 4.6293 8.6885 126.3741 51.5546 20.6028 175.5033 45 H 4.7923 9.0854 121.8447 55.5169 31.4688 173.7009 46 D 5.2607 8.4481 126.6490 51.3259 41.1783 174.2807 47 P 4.4107 0.0000 0.0000 63.8037 31.6470 177.4414 48 E 4.4711 7.9277 117.1427 55.4585 30.9103 175.5881 49 E 3.8964 7.7410 118.3164 57.4128 27.4699 175.5814 50 K 4.2278 7.9693 115.5561 56.7732 34.1260 175.6948 51 Y 4.5792 8.2794 119.1731 56.3392 38.9391 175.3989 52 K 4.5420 8.6749 124.3981 54.2347 35.0450 175.7467 53 L 3.8743 8.2890 120.8308 56.9731 42.4635 176.6766 54 G 3.8384 9.3477 113.6212 46.8125 0.0000 172.0806 55 D 5.1603 7.9086 118.2594 51.9693 44.1490 175.8276 56 V 4.4019 8.2838 123.2065 62.6634 32.7590 175.3592 57 V 4.8297 8.7354 120.1923 59.7633 36.5904 173.7956 58 E 4.8929 8.7068 120.3492 54.7823 32.2457 175.5805 59 I 4.7762 8.5722 124.2964 59.4298 40.5547 174.2429 60 I 5.0188 8.4730 126.8075 58.6681 40.6366 174.2622 61 E 3.6672 8.7128 130.0018 57.2555 29.8794 176.1508 62 S 4.6559 7.6330 119.2778 56.6131 67.6218 174.0765 63 R 3.8327 8.5790 122.0790 55.7318 30.3215 174.5070 64 P 4.1212 0.0000 0.0000 63.4709 31.8577 175.6770 65 I 4.2221 8.3956 123.2081 62.5782 38.7406 175.3608 66 S 4.4235 7.2871 111.2585 57.2985 64.8416 172.9656 67 K 4.1166 8.5288 121.4839 56.3667 32.6852 176.2002 68 R 3.5823 8.3701 116.3051 57.0573 29.1967 175.4691 69 K 4.5649 9.0455 118.6725 55.4464 32.5885 175.7403 70 R 4.9472 8.1478 129.7052 54.6289 30.9367 174.8299 71 F 5.0620 8.0426 114.8112 56.6856 44.0098 174.5102 72 R 4.9291 8.7744 120.2861 54.4042 33.7400 175.6672 73 V 4.1560 8.0085 121.4550 61.8653 28.9503 175.6783 74 L 3.6342 8.2377 122.5506 56.0660 42.4691 178.3427 75 R 4.7404 7.4378 113.0380 55.3000 33.4035 173.0804 76 L 4.4898 8.5142 121.0055 54.8364 43.2421 174.9220 77 V 4.4701 8.4184 118.4972 63.1627 32.9300 174.7945 78 E 4.7015 7.7407 115.7006 55.1372 33.0589 173.6621 79 S 4.6198 9.3298 117.8906 60.3057 62.0947 177.6183 80 G 3.8786 7.6878 104.9252 46.4132 0.0000 175.3507 81 R 4.8719 8.0425 129.3209 53.2146 31.4072 177.6099 82 M 4.0768 8.4325 119.8133 58.4209 31.8368 177.2978 83 D 4.4107 7.6270 118.7678 56.9403 39.1960 178.7683 84 L 3.9876 7.7056 120.6995 57.1408 41.7751 179.8089 85 V 3.6792 7.7952 117.1847 66.2035 31.3750 177.2076 86 E 3.9197 9.1529 118.9855 59.7661 29.3525 179.3116 87 K 3.8225 8.1985 117.9615 60.0567 32.2369 178.2423 88 Y 4.2737 8.1952 119.1798 60.9764 38.1434 178.5322 89 L 3.6182 8.4266 119.6990 57.7679 41.8498 179.3121 90 I 3.7274 7.9193 119.9595 64.4117 36.8567 178.0593 91 R 3.6735 7.6147 118.0907 59.7243 30.0637 177.8909 92 R 3.1349 7.5275 117.8408 59.3369 29.8506 178.0755 93 Q 3.8724 9.0744 119.7965 59.4920 28.9582 178.8155 94 N 4.0391 8.9624 117.6708 57.7695 38.5356 178.5981 95 Y 4.0730 7.7653 116.3617 60.6734 38.6722 177.8996 96 E 3.9218 8.1849 120.3213 59.5618 29.7562 179.2082 97 S 4.4867 8.4601 109.6397 59.3358 62.9250 174.3808 98 L 4.6180 8.3764 121.4651 55.2864 43.2878 178.6193 99 S 4.8454 7.2518 117.5056 57.5930 62.5219 177.3430 100 K 4.4411 8.3756 113.3864 55.2823 32.2951 176.6180 *101 R 4.1415 7.7633 120.1389 56.4171 30.0213 177.1267 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 4.30 0.00 2.19 2.15 0.00 3.74 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 2.00 0.00 3 K 8.79 3.88 0.00 1.75 1.96 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 K 9.20 4.00 0.00 1.94 1.84 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.49 7.81 5 V 8.17 5.10 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 0.89 0.00 0.00 0.97 0.00 0.00 6 L 8.91 4.84 0.00 1.07 1.17 -0.04 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.87 4.87 4.19 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 1.16 0.00 0.00 8 G 8.00 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 0.00 0.00 0.00 9 V 8.01 4.83 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 0.99 0.00 0.00 0.90 0.00 0.00 10 V 8.19 4.25 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 0.85 0.00 0.00 1.04 0.00 0.00 11 V 7.96 4.43 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 0.39 0.00 0.00 0.48 0.00 0.00 12 S 7.53 4.79 0.00 3.92 3.66 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 0.00 0.00 0.00 0.00 13 D 8.84 4.88 0.00 2.79 2.71 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 14 K 7.44 4.42 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.35 4.85 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 16 Q 8.59 4.32 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 17 K 8.76 4.10 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 T 7.56 4.99 4.29 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 1.31 0.00 0.00 19 V 9.03 4.65 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 0.91 0.00 0.00 0.97 0.00 0.00 20 T 8.38 4.91 4.22 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 1.18 0.00 0.00 21 V 8.91 4.69 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 0.90 0.00 0.00 0.85 0.00 0.00 22 L 8.66 4.51 0.00 1.42 1.32 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 V 9.35 4.62 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 1.09 0.00 0.00 0.96 0.00 0.00 24 E 8.90 4.96 0.00 1.89 1.86 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 2.30 2.30 0.00 25 R 8.61 4.76 0.00 1.96 2.05 0.00 2.85 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 26 Q 8.35 5.23 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 27 F 7.75 4.76 0.00 3.14 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 28 P 0.00 4.77 0.00 2.06 2.10 0.00 3.84 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 2.09 2.14 0.00 29 H 8.93 4.47 0.00 3.39 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.52 0.00 2.18 2.15 0.00 3.55 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 1.85 1.90 0.00 31 L 8.21 4.41 0.00 1.40 1.31 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.96 4.90 0.00 2.66 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 G 7.31 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 34 K 7.01 4.41 0.00 1.88 1.67 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 V 8.37 4.17 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 0.84 0.00 0.00 0.93 0.00 0.00 36 I 8.18 4.41 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.36 0.83 0.00 0.00 37 K 8.51 4.61 0.00 1.62 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 38 R 9.16 4.94 0.00 1.88 1.96 0.00 3.36 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 39 S 8.52 5.17 0.00 3.86 3.79 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 40 K 8.78 4.50 0.00 1.75 1.65 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.71 1.10 7.81 41 K 8.41 5.04 0.00 1.59 1.63 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.40 7.81 42 Y 8.83 4.61 0.00 2.67 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 L 8.80 4.98 0.00 1.75 1.72 0.96 0.84 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 44 A 8.69 4.63 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 45 H 9.09 4.79 0.00 3.32 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.45 5.26 0.00 2.85 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 47 P 0.00 4.41 0.00 2.22 2.14 0.00 3.75 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 48 E 7.93 4.47 0.00 1.80 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 2.20 2.21 0.00 49 E 7.74 3.90 0.00 2.03 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 2.28 2.23 0.00 50 K 7.97 4.23 0.00 1.57 1.71 0.00 1.25 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.90 0.32 7.81 51 Y 8.28 4.58 0.00 3.10 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 52 K 8.67 4.54 0.00 1.87 1.83 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.51 7.81 53 L 8.29 3.87 0.00 1.63 1.66 0.98 1.08 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 54 G 9.35 3.84 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 0.00 0.00 0.00 55 D 7.91 5.16 0.00 2.62 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 56 V 8.28 4.40 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 0.90 0.00 0.00 0.92 0.00 0.00 57 V 8.74 4.83 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 0.55 0.00 0.00 0.72 0.00 0.00 58 E 8.71 4.89 0.00 1.84 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 2.17 2.20 0.00 59 I 8.57 4.78 1.47 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 0.89 0.87 0.67 0.00 0.00 60 I 8.47 5.02 1.90 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 1.14 1.51 0.95 0.00 0.00 61 E 8.71 3.67 0.00 2.12 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 0.00 2.12 1.96 0.00 62 S 7.63 4.66 0.00 3.70 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 63 R 8.58 3.83 0.00 1.73 1.81 0.00 3.41 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 64 P 0.00 4.12 0.00 2.04 1.99 0.00 3.65 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 2.00 2.10 0.00 65 I 8.40 4.22 1.82 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 1.21 0.35 0.68 0.00 0.00 66 S 7.29 4.42 0.00 3.93 3.84 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 67 K 8.53 4.12 0.00 1.81 1.75 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.43 7.81 68 R 8.37 3.58 0.00 1.87 1.94 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 69 K 9.05 4.56 0.00 1.72 1.79 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.68 7.81 70 R 8.15 4.95 0.00 1.76 1.51 0.00 3.26 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 71 F 8.04 5.06 0.00 2.98 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 72 R 8.77 4.93 0.00 1.81 1.85 0.00 3.17 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 73 V 8.01 4.16 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 -0.26 0.00 0.00 0.88 0.00 0.00 74 L 8.24 3.63 0.00 1.65 1.53 0.93 1.01 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 75 R 7.44 4.74 0.00 1.92 2.04 0.00 3.02 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 76 L 8.51 4.49 0.00 1.92 1.71 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.42 4.47 2.23 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 0.85 0.00 0.00 0.88 0.00 0.00 78 E 7.74 4.70 0.00 2.03 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 2.26 2.31 0.00 79 S 9.33 4.62 0.00 3.87 3.70 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 80 G 7.69 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.04 4.87 0.00 2.09 1.96 0.00 3.41 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 82 M 8.43 4.08 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 83 D 7.63 4.41 0.00 3.01 2.95 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 84 L 7.71 3.99 0.00 1.82 1.79 0.91 0.78 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 85 V 7.80 3.68 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 1.18 0.00 0.00 1.01 0.00 0.00 86 E 9.15 3.92 0.00 2.06 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 2.52 2.54 0.00 87 K 8.20 3.82 0.00 1.96 1.91 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 1.64 7.81 88 Y 8.20 4.27 0.00 3.01 3.24 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 89 L 8.43 3.62 0.00 1.75 1.62 0.95 0.74 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 90 I 7.92 3.73 1.81 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 1.62 0.77 0.86 0.00 0.00 91 R 7.61 3.67 0.00 1.83 2.02 0.00 3.27 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 92 R 7.53 3.13 0.00 1.58 1.75 0.00 2.99 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 93 Q 9.07 3.87 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 94 N 8.96 4.04 0.00 2.86 2.75 0.00 0.00 7.02 7.47 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 95 Y 7.77 4.07 0.00 3.12 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.18 3.92 0.00 2.00 2.00 0.00 0.00 0.00 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 2.32 0.00 97 S 8.46 4.49 0.00 3.98 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 98 L 8.38 4.62 0.00 1.76 1.79 1.03 0.65 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 99 S 7.25 4.85 0.00 3.93 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 0.00 100 K 8.38 4.44 0.00 1.70 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 *101 R 7.76 4.14 0.00 1.57 1.74 0.00 3.23 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.