NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2647 8.4449 118.7940 55.7380 30.7848 176.1804 3 L 4.1396 8.1522 119.9671 53.7964 39.7983 175.8781 4 K 4.2906 9.2852 125.2957 56.2600 33.8908 176.2838 5 N 4.8752 8.7517 115.3481 54.2806 39.8594 175.2186 6 S 4.8036 8.0248 111.6215 56.3067 66.5581 174.9679 7 I 3.8366 8.4323 121.7123 64.5121 36.8416 178.6862 8 S 4.5159 7.9381 112.6171 59.9470 62.8676 174.4601 9 D 4.6158 8.0220 119.7527 54.8374 41.3667 175.6731 10 Y 4.9492 8.1623 118.8028 56.4591 39.7805 175.8245 11 T 4.8600 9.2500 116.1286 60.9054 71.4402 175.6896 12 E 3.2354 8.6419 120.6283 59.4761 29.3899 179.5338 13 A 4.0033 7.9442 120.0176 55.3419 18.5209 179.3822 14 E 4.4419 8.2902 118.4186 59.0553 29.5413 179.4136 15 F 3.9996 8.5075 120.9167 61.1359 39.4529 177.3551 16 V 3.6227 7.9845 118.0501 66.1315 31.1596 178.0540 17 Q 3.9949 8.0594 117.8634 58.8212 28.6476 178.5148 18 L 3.9115 7.7546 121.4171 57.9999 41.9811 179.0593 19 L 3.8177 7.6844 119.0763 57.5056 41.5407 179.5046 20 K 3.9561 8.1701 118.3435 58.8637 31.9551 179.0818 21 E 3.9427 7.9891 119.7307 59.1958 29.5510 178.8542 22 I 3.7085 7.5824 119.5767 64.3228 36.8945 178.2212 23 E 3.9162 8.0048 118.7748 59.1195 29.5188 179.0769 24 K 4.0709 8.1005 119.6574 59.6645 32.3487 178.8856 25 E 4.0597 8.3324 118.5805 59.1220 29.0518 178.8905 26 N 4.4024 8.0995 116.2659 55.7927 38.6489 176.1033 27 V 4.1053 7.2490 109.8422 60.8940 32.0048 176.0297 28 A 4.2253 7.5933 123.2964 51.2995 19.0232 177.8285 29 A 4.1036 8.7319 123.0862 54.9397 18.2856 177.6436 30 T 4.7043 7.5327 102.0419 60.3122 72.0062 173.0730 31 D 4.8341 8.3097 117.5242 54.4430 40.2673 178.1982 32 D 4.3688 7.8596 121.0240 57.8145 40.7773 179.2050 33 V 3.7969 7.6653 117.8176 65.6628 31.6340 177.3134 34 L 3.9143 7.9770 119.7121 58.6813 41.8578 178.7814 35 D 4.4741 8.3821 118.3808 56.9946 40.6142 179.0377 36 V 3.8439 7.3305 119.4287 65.8973 31.5669 178.0885 37 L 4.0909 7.9747 118.8129 57.6846 41.3519 179.5352 38 L 4.0854 8.4254 119.4924 57.8600 41.5085 179.2988 39 E 4.0520 8.3021 118.6038 59.7175 29.4175 178.9088 40 H 4.1699 8.3679 118.2904 59.1317 29.9126 177.0888 41 F 4.0763 8.4335 122.5201 61.3059 39.3592 177.2231 42 V 3.4942 8.4054 118.2940 65.7425 31.0907 177.7330 43 K 3.8688 8.1068 118.7350 59.6974 32.1873 178.5598 44 I 3.9042 7.4904 111.9471 63.8733 37.6764 177.8591 45 T 3.7565 7.4720 111.1021 62.6753 68.6523 175.1840 46 E 3.7174 7.5483 117.1687 56.9000 27.9244 173.4844 47 H 3.0728 7.3291 120.0277 54.2216 30.3739 174.5807 48 P 4.1599 0.0000 0.0000 65.7910 31.2514 176.7575 49 D 4.6145 8.3171 116.6652 53.8638 42.6422 178.1833 50 G 3.8995 7.7758 110.3555 46.0628 0.0000 177.8842 51 T 4.1155 8.8086 117.4469 64.1982 68.2694 174.9797 52 D 4.8864 8.4551 122.3079 57.5532 40.5449 178.5282 53 L 4.2130 7.8354 118.6507 57.3155 41.5881 179.0274 54 I 3.7918 7.7873 118.9486 63.5802 37.7292 177.1914 55 Y 4.2785 7.6169 113.8029 58.4561 39.5330 175.3210 56 Y 4.6917 8.2032 117.2678 55.5694 38.8361 173.5494 57 P 4.4000 0.0000 0.0000 62.5178 32.6549 177.4492 58 S 4.3206 8.4868 116.7497 58.8972 63.3006 175.0694 59 D 4.5546 8.6076 122.6591 56.0749 40.8118 176.7445 60 N 4.7646 8.0432 116.0217 52.6746 37.6873 174.3631 61 R 4.6549 7.3961 114.4099 54.9470 32.7361 174.3536 62 D 4.4487 8.4435 118.5502 54.4650 41.3310 176.1066 63 D 4.8095 8.3802 124.0360 52.5536 39.8135 175.4516 64 S 4.5474 7.6580 117.5405 55.1688 67.0137 173.8068 65 P 4.2504 0.0000 0.0000 66.0569 31.0122 178.8306 66 E 4.0903 8.1748 116.8428 59.3663 29.4976 179.5024 67 G 3.8037 7.8196 106.7067 47.1541 0.0000 175.9566 68 I 3.8005 8.2354 122.5894 64.3168 37.0850 178.6755 69 V 3.6782 7.9570 119.1456 65.6563 31.2192 177.9908 70 K 3.9366 8.1975 119.4280 59.4908 32.0465 178.2207 71 E 3.9985 8.2583 119.5066 59.5273 29.5059 178.8562 72 I 3.7786 7.8734 119.6342 64.2138 37.3011 178.1945 73 K 3.9572 8.4856 120.6691 59.8534 32.0806 178.6947 74 E 4.0412 8.6784 119.1526 58.9899 29.2060 179.2457 75 W 4.0533 8.6619 128.8053 60.6639 30.7941 178.4390 76 R 3.6515 8.7627 118.1732 58.8516 29.5086 179.0009 77 A 3.8840 7.9075 120.3551 54.9321 18.2718 179.4693 78 A 4.0193 7.8954 117.7812 54.0370 18.3345 177.9645 79 N 4.4912 6.9790 113.8474 52.2439 38.8299 174.7291 80 G 3.9435 7.4702 104.3685 46.3637 0.0000 174.1825 81 K 4.4768 7.7006 117.7264 53.1355 33.9785 175.0870 82 P 4.2248 0.0000 0.0000 63.0956 31.7494 176.5844 83 G 3.8877 8.1295 109.6773 43.8541 0.0000 172.9078 84 F 4.4749 8.1955 117.2775 56.9675 39.4131 175.3595 85 K 4.1629 8.7367 125.0502 56.9499 32.3111 175.0119 86 Q 4.4318 8.1214 124.2796 56.7895 34.7638 174.8641 *87 G 3.7274 8.3450 114.4297 46.2202 0.0000 172.4775 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 E 8.44 4.26 0.00 2.08 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 2.11 2.26 0.00 3 L 8.15 4.14 0.00 1.71 1.52 0.86 0.49 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 4 K 9.29 4.29 0.00 1.72 1.83 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.33 0.74 7.81 5 N 8.75 4.88 0.00 2.74 2.91 0.00 0.00 6.58 7.57 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 6 S 8.02 4.80 0.00 3.92 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 7 I 8.43 3.84 1.65 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 -0.05 0.00 0.00 8 S 7.94 4.52 0.00 3.98 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 9 D 8.02 4.62 0.00 2.74 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 10 Y 8.16 4.95 0.00 3.49 3.21 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 0.00 11 T 9.25 4.86 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 1.33 0.00 0.00 12 E 8.64 3.24 0.00 1.89 1.81 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 1.60 2.23 0.00 13 A 7.94 4.00 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 14 E 8.29 4.44 0.00 2.57 2.31 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 2.41 2.27 0.00 15 F 8.51 4.00 0.00 3.21 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 16 V 7.98 3.62 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 0.96 0.00 0.00 0.97 0.00 0.00 17 Q 8.06 3.99 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 18 L 7.75 3.91 0.00 1.69 1.40 0.90 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.68 3.82 0.00 1.81 1.56 1.05 0.60 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 20 K 8.17 3.96 0.00 1.74 1.81 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.55 7.81 21 E 7.99 3.94 0.00 2.19 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 2.29 2.37 0.00 22 I 7.58 3.71 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.62 0.77 0.00 0.00 23 E 8.00 3.92 0.00 2.03 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 2.23 2.40 0.00 24 K 8.10 4.07 0.00 1.81 1.96 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 E 8.33 4.06 0.00 2.02 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 2.46 2.49 0.00 26 N 8.10 4.40 0.00 2.93 2.92 0.00 0.00 6.94 7.25 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 27 V 7.25 4.11 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 0.65 0.00 0.00 1.02 0.00 0.00 28 A 7.59 4.23 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 29 A 8.73 4.10 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 30 T 7.53 4.70 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 1.21 0.00 0.00 31 D 8.31 4.83 0.00 2.69 2.87 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 32 D 7.86 4.37 0.00 2.74 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 33 V 7.67 3.80 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 1.03 0.00 0.00 0.93 0.00 0.00 34 L 7.98 3.91 0.00 1.80 1.81 0.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.38 4.47 0.00 2.87 2.72 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 36 V 7.33 3.84 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 1.06 0.00 0.00 1.01 0.00 0.00 37 L 7.97 4.09 0.00 1.91 1.71 0.91 0.68 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 38 L 8.43 4.09 0.00 1.87 1.81 1.02 0.80 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 39 E 8.30 4.05 0.00 2.23 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 2.37 2.67 0.00 40 H 8.37 4.17 0.00 3.28 3.59 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.43 4.08 0.00 3.07 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 42 V 8.41 3.49 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 0.95 0.00 0.00 1.14 0.00 0.00 43 K 8.11 3.87 0.00 1.86 1.98 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.46 7.81 44 I 7.49 3.90 1.90 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 1.75 0.63 0.97 0.00 0.00 45 T 7.47 3.76 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 0.33 0.00 0.00 46 E 7.55 3.72 0.00 2.32 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 0.00 2.31 2.39 0.00 47 H 7.33 3.07 0.00 2.53 2.77 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.16 0.00 2.16 2.15 0.00 2.34 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 49 D 8.32 4.61 0.00 2.70 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 50 G 7.78 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 0.00 0.00 0.00 51 T 8.81 4.12 4.57 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 1.37 0.00 0.00 52 D 8.46 4.89 0.00 2.89 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 53 L 7.84 4.21 0.00 1.86 1.85 0.84 0.60 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 54 I 7.79 3.79 1.32 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.11 -0.13 0.00 0.00 55 Y 7.62 4.28 0.00 2.98 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 56 Y 8.20 4.69 0.00 3.01 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 57 P 0.00 4.40 0.00 2.17 2.02 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 58 S 8.49 4.32 0.00 3.94 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 59 D 8.61 4.55 0.00 2.69 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 60 N 8.04 4.76 0.00 2.85 2.93 0.00 0.00 5.87 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 61 R 7.40 4.65 0.00 1.85 1.92 0.00 3.13 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 62 D 8.44 4.45 0.00 2.73 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 63 D 8.38 4.81 0.00 2.61 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 64 S 7.66 4.55 0.00 4.10 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 65 P 0.00 4.25 0.00 2.16 2.13 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 66 E 8.17 4.09 0.00 2.05 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 2.39 2.42 0.00 67 G 7.82 3.80 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 0.00 0.00 0.00 68 I 8.24 3.80 2.12 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.80 1.18 0.00 0.00 69 V 7.96 3.68 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 0.79 0.00 0.00 1.03 0.00 0.00 70 K 8.20 3.94 0.00 2.02 1.98 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.48 7.81 71 E 8.26 4.00 0.00 2.13 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 2.34 2.45 0.00 72 I 7.87 3.78 2.07 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 1.36 0.64 0.70 0.00 0.00 73 K 8.49 3.96 0.00 2.22 2.12 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.66 7.81 74 E 8.68 4.04 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 2.37 2.57 0.00 75 W 8.66 4.05 0.00 3.51 3.40 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 76 R 8.76 3.65 0.00 1.88 1.88 0.00 3.04 0.00 0.00 2.88 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 77 A 7.91 3.88 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 78 A 7.90 4.02 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 79 N 6.98 4.49 0.00 1.76 2.25 0.00 0.00 7.01 7.93 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 80 G 7.47 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 81 K 7.70 4.48 0.00 1.71 1.66 0.00 1.62 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.31 7.81 82 P 0.00 4.22 0.00 2.13 2.02 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 83 G 8.13 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 84 F 8.20 4.47 0.00 3.09 3.15 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 0.00 0.00 0.00 85 K 8.74 4.16 0.00 2.00 1.83 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.46 7.81 86 Q 8.12 4.43 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 *87 G 8.35 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.