NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5173 8.2714 119.1983 53.3550 40.0191 172.8663 3 G 3.8354 8.6943 115.1903 44.4529 0.0000 171.9205 4 S 3.4947 10.0573 120.0316 58.7497 62.8586 171.0037 5 S 3.6352 7.8847 113.3620 59.1752 60.3164 172.4239 6 I 4.2305 7.0531 120.4963 61.0245 37.4103 176.9689 7 I 3.6001 8.4129 129.2542 61.2042 38.2466 175.4327 8 E 4.6627 8.4503 127.7774 54.9453 29.2735 175.6259 9 F 4.8789 8.5680 125.8271 57.7169 39.9905 174.7748 10 E 4.9568 8.8960 118.5046 54.4585 33.6189 175.1015 11 D 4.3195 10.0685 123.4709 56.3259 41.9101 178.7685 *13 T 4.3995 7.9186 107.5407 60.8840 70.6346 175.0646 14 W 4.0996 8.2523 133.5618 61.2348 30.5938 177.8530 15 S 4.4334 8.2811 113.7150 60.8582 61.6284 175.7847 16 Q 4.0771 7.9313 120.8439 59.3959 29.0554 177.6646 17 Q 4.0913 7.8957 117.5751 57.6948 29.1172 176.8591 18 V 3.4134 7.3086 117.3392 64.3172 32.8076 177.6431 19 E 3.9498 7.4951 117.4558 58.8509 29.6940 178.1274 20 D 4.8288 7.5091 116.0643 53.7612 41.0882 176.5105 21 S 4.1831 7.5328 114.9486 58.2841 62.9367 174.4124 22 K 4.1175 8.5962 127.3223 59.4391 32.2641 178.0904 23 K 4.1691 7.6664 116.6039 55.3671 32.8517 175.1687 24 P 4.5307 0.0000 0.0000 63.2146 32.8475 175.2900 25 V 4.6854 8.2677 121.8226 60.9276 34.7397 174.4060 26 V 4.7508 8.5019 127.5900 60.2641 33.6883 174.9607 27 V 5.7762 8.6708 124.9356 60.5463 35.5687 173.1826 *29 F 4.8902 8.5484 117.3202 57.8861 40.4646 173.9054 30 Y 5.1593 8.7866 121.1144 55.1222 42.2128 174.0834 31 S 4.7090 8.4057 112.9128 55.7469 65.2936 173.1125 32 P 4.4249 0.0000 0.0000 65.4360 31.2934 177.3181 33 A 4.1211 7.9046 118.7577 53.2030 19.1463 176.9296 34 C 4.4458 8.0836 117.7768 57.3506 32.6063 172.3372 35 P 4.2001 0.0000 0.0000 65.6742 30.5551 177.7850 36 Y 4.4878 7.4241 115.5092 60.6161 38.2493 176.9435 37 C 4.3791 8.1563 116.4924 62.8269 28.4354 175.4832 38 K 4.1127 7.7797 119.1332 59.3739 31.7618 178.9938 39 A 4.0985 7.6807 116.1340 53.0945 18.4216 177.6846 *41 E 4.4779 8.0700 122.3266 57.1981 31.5093 176.1927 42 P 4.0785 0.0000 0.0000 65.8258 31.1129 178.1986 43 Y 3.6784 7.4412 114.9416 60.4774 37.8286 177.5428 44 F 4.3552 8.3809 121.2459 61.6441 39.6479 176.9526 45 E 3.7793 8.4398 118.3686 59.1019 29.1516 179.1931 46 E 3.8209 8.1711 118.1261 59.6801 29.5864 178.9306 47 Y 4.5134 7.7968 117.7984 60.4337 37.6929 177.8807 48 A 2.0000 7.3663 121.4212 54.1521 18.4545 179.3983 49 K 3.8202 7.5180 117.6700 59.5875 32.1263 178.4321 50 E 3.7292 8.0583 118.5294 58.9701 29.6059 177.6177 51 Y 4.7648 7.8868 114.5663 57.7998 37.5518 177.6141 52 G 3.8099 7.7858 110.7333 47.9673 0.0000 176.1089 53 S 4.3710 8.0996 113.7846 60.1966 63.6204 175.0361 54 S 4.5545 8.3467 116.1413 59.4327 63.5705 173.6126 55 A 4.8477 7.4488 120.1566 50.1382 22.5990 175.8663 56 V 4.1454 8.7048 119.6981 62.3960 33.3518 174.9414 57 F 5.3788 8.9137 124.8267 55.9683 42.5730 174.3763 58 G 4.3215 9.4105 108.5520 45.4670 0.0000 171.7081 59 R 5.2156 8.9800 118.3716 54.2296 34.5906 174.7745 60 I 4.9482 8.2030 120.8408 59.2931 41.7409 173.3548 61 N 4.0335 8.7078 128.5304 52.9400 38.0384 175.1732 62 I 4.0407 8.7188 120.5028 62.3827 38.5400 178.1066 63 A 4.2196 8.2860 125.9464 54.6650 18.2729 178.1932 64 T 4.4105 7.1311 109.4338 63.4538 71.0039 174.1293 65 N 5.4737 7.7527 117.6423 49.6186 38.9746 173.4831 66 P 4.3455 0.0000 0.0000 65.4914 31.9277 178.7746 67 W 4.4319 8.0201 118.7974 59.9047 28.9141 178.3432 68 T 3.6812 8.4653 109.6768 64.4481 68.1671 176.4427 69 A 3.9030 7.6705 122.2605 55.1229 18.3573 179.5897 70 E 3.8053 8.1627 116.7498 59.4777 29.4162 179.1293 71 K 3.5689 7.6594 118.2956 59.1433 32.0920 177.1460 72 Y 4.5810 7.2311 113.0154 56.2326 38.9155 175.5027 73 G 3.7789 7.5442 107.4547 46.3370 0.0000 174.5903 74 V 3.6672 7.7822 119.3648 62.0638 31.8316 175.3594 75 Q 4.4575 8.2144 124.8886 55.5178 29.9366 174.8693 76 G 4.0601 7.1920 105.0550 45.2188 0.0000 172.5840 77 T 4.7994 8.1348 115.2176 60.9516 72.1052 172.5857 78 P 4.7862 0.0000 0.0000 62.7054 33.4818 174.8858 79 T 4.7696 8.2249 117.3569 61.8722 71.6645 173.3118 80 F 5.3589 8.9480 125.1237 55.9586 41.5755 175.1062 81 K 5.2151 9.6778 121.8156 54.6712 36.7461 174.8452 82 F 5.2944 9.2229 125.8932 56.5304 42.1113 173.8746 83 F 5.4865 9.2721 124.8132 55.9446 42.0622 174.1897 84 C 5.1793 9.4816 120.1106 58.6258 31.4372 173.7970 85 H 3.8864 8.9775 120.8637 57.3479 28.0367 175.8121 86 G 4.1221 8.7961 116.4124 45.6419 0.0000 172.7611 87 R 4.9912 8.1700 119.6098 53.2939 32.9690 173.7233 88 P 4.2473 0.0000 0.0000 62.6120 31.8675 176.5787 89 V 4.5113 8.4490 120.4639 61.6691 33.6980 175.4389 90 W 5.0158 7.8898 128.9704 56.4835 33.9114 172.6263 91 E 4.3666 7.4116 124.7834 54.6064 32.5563 173.8521 92 Q 4.3067 8.0265 125.0905 54.3898 32.8887 173.5055 93 V 4.5882 8.4085 125.3681 62.3541 33.6908 175.4615 94 G 3.9086 8.7917 113.3767 44.5193 0.0000 173.2273 95 Q 4.1973 8.3887 120.9216 55.9972 29.1656 175.5003 96 I 4.5552 8.0876 118.0294 58.4427 40.9008 174.7876 97 Y 4.2910 7.9021 118.7210 57.9418 38.4446 175.8319 98 P 4.2885 0.0000 0.0000 66.0201 31.2495 179.0366 99 S 4.1703 8.1319 112.2765 61.2824 62.8386 176.5946 100 I 3.6895 7.8881 123.5580 64.1194 36.8582 177.9183 101 L 3.9516 7.9603 120.6258 58.0913 41.9711 178.7051 102 K 3.2744 8.1764 119.7448 59.5219 32.0667 178.5606 103 N 4.2005 8.3085 116.7675 56.0501 38.1690 177.3756 104 A 3.6275 7.5325 121.5971 54.4818 18.3272 179.6286 105 V 3.4864 7.2467 116.1758 66.0580 31.9199 178.0678 106 R 3.7829 7.4200 117.5917 59.2946 29.9150 179.3385 107 D 3.8036 7.9065 115.8939 55.2761 40.8981 178.4618 *109 L 4.3652 7.7900 120.7748 55.0413 43.6062 178.9817 110 Q 4.0946 7.8748 116.2108 58.5884 28.9867 177.3651 111 H 4.8775 8.4818 116.2564 56.4995 29.7681 177.2490 112 G 3.6539 7.9414 107.6241 47.9682 0.0000 175.3784 113 E 4.0370 8.1168 120.1801 59.1400 29.5755 178.7940 114 E 3.9363 8.1559 118.8463 59.4225 29.5186 178.2220 115 C 4.0371 7.9851 115.6811 63.2289 28.3406 176.0824 116 I 3.9252 7.5811 119.6605 64.4344 36.7369 178.4518 117 R 4.0969 8.0959 118.1642 58.1594 30.4702 178.1105 118 K 4.6294 8.0890 118.7148 54.7555 32.4947 176.3143 119 S 4.6987 7.1394 111.2452 57.0557 66.4429 173.1862 120 T 4.5001 8.2027 118.3429 61.2455 69.8255 173.3128 121 P 4.4501 0.0000 0.0000 63.0640 31.3074 176.1373 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 N 8.27 4.52 0.00 2.77 2.91 0.00 0.00 6.88 7.70 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 3 G 8.69 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 4 S 10.06 3.49 0.00 4.01 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 5 S 7.88 3.64 0.00 3.94 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 6 I 7.05 4.23 2.05 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 1.33 0.41 1.03 0.00 0.00 7 I 8.41 3.60 0.91 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 0.97 0.44 0.47 0.00 0.00 8 E 8.45 4.66 0.00 1.94 1.88 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 2.29 2.47 0.00 9 F 8.57 4.88 0.00 3.28 3.19 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 10 E 8.90 4.96 0.00 1.91 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 2.37 2.43 0.00 11 D 10.07 4.32 0.00 2.58 2.91 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 *13 T 7.92 4.40 4.32 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 1.28 0.00 0.00 14 W 8.25 4.10 0.00 3.70 3.19 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 15 S 8.28 4.43 0.00 4.22 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 16 Q 7.93 4.08 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 17 Q 7.90 4.09 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 18 V 7.31 3.41 0.67 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 -0.42 0.00 0.00 -1.78 0.00 0.00 19 E 7.50 3.95 0.00 2.21 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 2.54 2.33 0.00 20 D 7.51 4.83 0.00 2.80 2.66 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 21 S 7.53 4.18 0.00 3.88 3.71 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 22 K 8.60 4.12 0.00 1.76 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 K 7.67 4.17 0.00 1.71 1.72 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.41 7.81 24 P 0.00 4.53 0.00 1.82 1.88 0.00 3.65 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 2.30 2.21 0.00 25 V 8.27 4.69 1.82 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 0.67 0.00 0.00 0.71 0.00 0.00 26 V 8.50 4.75 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 -0.41 0.00 0.00 1.29 0.00 0.00 27 V 8.67 5.78 2.47 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 1.32 0.00 0.00 1.03 0.00 0.00 *29 F 8.55 4.89 0.00 3.07 3.03 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 30 Y 8.79 5.16 0.00 3.05 2.91 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 31 S 8.41 4.71 0.00 3.82 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 32 P 0.00 4.42 0.00 2.11 2.19 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 33 A 7.90 4.12 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 34 C 8.08 4.45 0.00 3.07 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 35 P 0.00 4.20 0.00 1.81 2.05 0.00 3.55 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 0.77 1.64 0.00 36 Y 7.42 4.49 0.00 3.09 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 37 C 8.16 4.38 0.00 3.21 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 38 K 7.78 4.11 0.00 1.79 2.01 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 39 A 7.68 4.10 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.48 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 42 P 0.00 4.08 0.00 1.34 1.72 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 43 Y 7.44 3.68 0.00 3.04 2.67 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 44 F 8.38 4.36 0.00 3.38 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 45 E 8.44 3.78 0.00 2.10 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 2.29 2.55 0.00 46 E 8.17 3.82 0.00 2.05 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 0.00 1.77 1.96 0.00 47 Y 7.80 4.51 0.00 3.05 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 48 A 7.37 2.00 0.59 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 0.00 0.00 49 K 7.52 3.82 0.00 1.72 1.67 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.34 7.81 50 E 8.06 3.73 0.00 1.94 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 1.47 2.04 0.00 51 Y 7.89 4.76 0.00 3.36 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 52 G 7.79 3.81 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 0.00 0.00 0.00 53 S 8.10 4.37 0.00 4.02 4.02 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 54 S 8.35 4.55 0.00 4.16 4.07 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 55 A 7.45 4.85 1.04 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 56 V 8.70 4.15 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 1.07 0.00 0.00 0.94 0.00 0.00 57 F 8.91 5.38 0.00 2.92 2.76 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 0.00 0.00 0.00 58 G 9.41 4.32 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 0.00 59 R 8.98 5.22 0.00 1.78 1.81 0.00 2.46 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 60 I 8.20 4.95 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.66 0.32 0.00 0.00 61 N 8.71 4.03 0.00 2.44 2.49 0.00 0.00 6.96 7.40 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 62 I 8.72 4.04 1.86 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 1.16 0.72 1.08 0.00 0.00 63 A 8.29 4.22 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 64 T 7.13 4.41 4.13 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 0.00 0.00 1.14 0.00 0.00 65 N 7.75 5.47 0.00 2.81 2.82 0.00 0.00 7.01 9.28 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 66 P 0.00 4.35 0.00 2.40 2.23 0.00 3.43 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.80 0.00 67 W 8.02 4.43 0.00 3.45 3.04 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 68 T 8.47 3.68 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 1.10 0.00 0.00 69 A 7.67 3.90 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 70 E 8.16 3.81 0.00 2.29 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 2.33 2.41 0.00 71 K 7.66 3.57 0.00 1.64 1.43 0.00 1.50 0.00 0.00 1.15 0.00 0.00 2.98 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.66 1.20 7.81 72 Y 7.23 4.58 0.00 2.80 2.88 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 73 G 7.54 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 0.00 0.00 0.00 74 V 7.78 3.67 1.73 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 0.56 0.00 0.00 -0.02 0.00 0.00 75 Q 8.21 4.46 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 76 G 7.19 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 77 T 8.13 4.80 4.26 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 1.30 0.00 0.00 78 P 0.00 4.79 0.00 1.41 2.08 0.00 3.69 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 79 T 8.22 4.77 4.15 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 1.01 0.00 0.00 80 F 8.95 5.36 0.00 3.20 3.35 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 81 K 9.68 5.22 0.00 2.08 1.61 0.00 1.43 0.00 0.00 1.31 0.00 0.00 2.75 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 1.28 7.81 82 F 9.22 5.29 0.00 3.51 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 83 F 9.27 5.49 0.00 2.72 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 84 C 9.48 5.18 0.00 2.94 2.91 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 85 H 8.98 3.89 0.00 3.31 2.76 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.80 4.12 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 0.00 0.00 0.00 87 R 8.17 4.99 0.00 1.96 1.92 0.00 3.22 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 88 P 0.00 4.25 0.00 1.96 1.52 0.00 3.78 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 89 V 8.45 4.51 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 0.84 0.00 0.00 0.95 0.00 0.00 90 W 7.89 5.02 0.00 3.36 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 91 E 7.41 4.37 0.00 1.65 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 1.85 2.01 0.00 92 Q 8.03 4.31 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 93 V 8.41 4.59 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 0.77 0.00 0.00 0.81 0.00 0.00 94 G 8.79 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 95 Q 8.39 4.20 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 96 I 8.09 4.56 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.99 0.00 0.00 97 Y 7.90 4.29 0.00 3.09 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 98 P 0.00 4.29 0.00 2.02 1.63 0.00 3.58 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 1.26 0.64 0.00 99 S 8.13 4.17 0.00 4.03 4.13 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 0.00 0.00 0.00 100 I 7.89 3.69 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 1.05 0.00 0.00 101 L 7.96 3.95 0.00 1.72 2.02 0.89 0.60 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 0.00 102 K 8.18 3.27 0.00 0.83 1.60 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 0.72 7.81 103 N 8.31 4.20 0.00 2.68 2.73 0.00 0.00 6.97 7.49 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 0.00 104 A 7.53 3.63 0.32 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 0.00 105 V 7.25 3.49 1.94 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 0.63 0.00 0.00 1.02 0.00 0.00 106 R 7.42 3.78 0.00 1.81 1.82 0.00 3.24 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 107 D 7.91 3.80 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 L 7.79 4.37 0.00 1.84 1.72 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.87 4.09 0.00 1.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 111 H 8.48 4.88 0.00 3.04 3.22 0.00 5.64 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 0.00 112 G 7.94 3.65 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 0.00 0.00 0.00 113 E 8.12 4.04 0.00 2.03 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 2.46 2.37 0.00 114 E 8.16 3.94 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 2.36 2.45 0.00 115 C 7.99 4.04 0.00 3.14 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 0.00 116 I 7.58 3.93 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.42 0.99 0.00 0.00 117 R 8.10 4.10 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 118 K 8.09 4.63 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.54 7.81 119 S 7.14 4.70 0.00 3.93 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 0.00 120 T 8.20 4.50 4.25 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 1.22 0.00 0.00 121 P 0.00 4.45 0.00 2.06 2.01 0.00 3.72 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 2.05 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.