NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8966 8.2085 109.7343 45.4079 0.0000 176.2493 2 A 3.8929 8.5588 121.9288 54.1978 18.2991 177.9348 3 A 3.9100 8.3641 121.0735 55.4826 19.0228 177.9124 4 A 4.0013 7.9764 118.7745 55.2062 18.4607 179.4748 5 L 3.8464 8.0708 118.9906 57.9099 42.0919 178.9035 6 K 4.0396 8.3566 119.8794 59.7236 32.1596 178.2136 7 N 4.3530 8.2958 117.1891 56.7089 38.9485 175.8197 8 Y 4.1478 8.2156 121.0881 61.4045 38.7211 178.1418 9 Y 4.3071 8.1977 117.2439 60.8614 38.0213 178.1030 10 E 3.9680 8.7390 120.1020 59.4810 29.6477 179.5599 11 V 3.5301 7.9097 118.2911 66.1384 31.5981 177.5519 12 H 3.1435 7.8902 117.8642 58.6739 29.5277 177.0594 13 K 3.7753 8.1086 121.6830 59.4185 31.9423 178.2694 14 E 4.0958 7.8592 120.7673 58.6504 29.4537 178.8124 15 L 3.6513 7.4669 118.8706 57.7844 41.5846 179.5436 16 F 4.4245 7.9552 117.6387 60.6676 38.8776 177.6037 17 E 4.1186 8.5969 118.6111 59.3066 29.1589 179.6009 18 G 3.7227 8.2233 105.8570 47.6865 0.0000 175.7813 19 V 3.2607 7.8541 120.8268 65.9672 31.4642 178.2700 20 Q 4.0525 8.1645 117.6424 58.6360 28.4808 178.6419 21 K 4.0087 8.2793 120.9406 59.0865 32.1940 178.6929 22 W 4.0763 8.6619 128.9761 60.4710 30.6508 177.4219 23 E 4.2010 9.0220 119.5135 59.3972 29.1464 177.9881 24 E 3.9376 8.2150 119.3264 60.0783 29.5520 179.2020 25 T 3.8874 7.8354 115.3344 66.1031 68.4079 176.6710 26 W 3.9641 7.9646 130.6252 60.5812 30.6389 178.3680 27 R 3.6575 8.1900 118.2652 58.9303 29.5044 179.1117 28 L 3.9857 7.9249 118.9153 57.6581 41.5948 179.0887 29 F 4.1939 8.2937 120.7065 61.5811 39.3293 177.2680 30 L 3.3186 7.6988 118.5332 57.2433 41.1536 179.5290 31 E 3.7222 7.6021 118.3552 59.4006 29.3977 179.3325 32 F 3.8500 7.9531 117.5585 60.2334 38.9035 177.4238 33 E 3.7809 8.1962 121.1782 60.1124 29.2775 180.3527 34 R 3.8421 7.7477 120.2693 61.2919 29.2176 180.7539 35 K 4.0179 7.5684 118.1202 59.2916 32.1463 179.2012 36 A 4.0620 8.2418 119.9976 54.3447 18.3660 178.6242 37 S 4.5095 7.7543 109.4061 57.3425 63.1113 173.5212 38 D 4.2508 7.2192 121.4302 54.5954 40.9438 175.1149 39 P 4.2681 0.0000 0.0000 65.7443 31.3549 178.0608 40 N 4.2026 8.6338 114.9107 55.1469 38.1925 177.0766 41 R 3.9424 7.2022 116.6548 58.4164 29.5066 178.2568 42 F 4.6723 7.0843 117.9032 59.3961 39.0243 175.6325 43 T 4.8175 7.7660 108.3174 61.1628 70.6579 174.3173 44 N 4.0282 8.8060 121.6691 56.1888 37.7100 176.2430 *50 L 4.1674 8.8483 115.7527 55.3562 43.6925 177.3420 51 K 4.6313 7.4463 114.2676 54.9421 32.9962 179.7774 52 E 4.3908 8.1645 119.5968 58.4086 29.5964 178.1535 53 E 4.0301 8.1862 122.1708 59.9540 29.7470 179.4322 54 K 3.8863 7.5775 122.9756 59.8789 31.6511 180.6950 55 Q 3.9153 7.7769 119.9833 58.8751 29.1465 177.6103 56 R 3.5096 7.8086 119.9192 59.5915 30.0575 178.3006 57 A 4.1627 8.6789 123.0126 55.4253 18.0557 180.4217 58 K 3.8910 7.5726 121.5137 60.1015 31.9324 181.9384 59 L 4.3019 7.5965 119.1966 57.5021 41.5801 179.1620 60 Q 3.7635 7.8946 118.6352 58.6984 28.3899 178.9762 61 K 4.1637 7.9838 120.7147 56.4318 32.5395 178.8387 *63 L 4.3577 7.8984 117.7721 54.1141 43.8173 177.8643 64 P 4.4428 0.0000 0.0000 65.7869 31.1613 179.5697 65 K 4.0215 7.5910 119.7568 59.8903 31.6997 182.4230 66 L 4.4770 8.0683 120.1696 57.7103 41.5553 179.4940 67 E 4.1198 8.6958 120.9630 60.0563 29.4138 179.8622 68 E 4.0193 8.2823 118.3314 61.0856 29.8446 180.8174 69 E 4.1368 8.1523 119.8128 59.1926 29.5292 179.2743 70 L 3.8933 8.0215 120.2976 57.9085 42.2184 178.5788 71 K 3.8189 8.5181 119.8514 59.7372 32.0608 178.5184 72 A 3.9993 7.8221 120.3277 55.2242 18.2919 179.9172 73 R 3.8566 7.8352 116.1329 59.2175 30.0531 179.1337 74 I 3.3844 7.9176 120.0095 64.4809 37.1643 178.2688 75 E 4.0102 8.0835 118.9596 59.3700 29.3314 179.1560 76 L 3.9836 7.8399 119.0045 57.9063 41.8738 179.6393 77 W 4.1141 8.2685 127.9166 60.4436 30.6092 177.9041 78 E 4.3413 8.7193 120.2780 58.9906 28.6859 179.4517 79 Q 3.9348 7.9312 117.0733 58.9762 28.9145 178.0162 80 E 3.9469 7.8514 118.9953 58.7170 29.7286 177.5394 81 H 4.5135 7.4724 112.5615 54.1465 30.1970 174.6645 82 S 3.7331 7.6085 116.1372 59.2614 60.9274 172.4203 83 K 4.6163 7.1646 117.0038 54.3679 36.3683 176.0069 84 A 4.6003 8.5999 124.5210 51.9266 18.6751 177.1541 85 F 4.6425 9.8548 125.4814 57.6730 41.5646 174.5580 *87 V 3.7740 8.0939 121.8964 63.1372 32.7520 175.1360 88 N 4.2643 9.7071 125.9343 54.4745 36.1095 174.6677 89 G 3.8908 9.3208 100.7887 45.8242 0.0000 173.4570 90 Q 4.5351 7.6673 118.0728 53.7135 32.4706 174.4708 91 K 4.3517 8.6674 123.2719 56.1798 32.5295 179.0788 92 F 4.4965 8.9580 126.9266 58.3043 38.8989 176.6667 *94 E 4.1842 8.3613 120.0110 56.0895 31.5658 177.5291 95 Y 3.9546 8.0094 119.1733 60.7065 38.6903 178.4366 96 V 2.3595 7.2659 118.9378 65.5598 31.4548 177.8819 97 A 3.9595 7.5620 119.8456 55.0435 18.0893 178.8407 98 E 3.8455 7.9222 116.8416 59.5484 29.7023 178.8285 99 Q 4.0863 7.4309 116.6369 58.8622 28.9493 178.5033 100 W 4.6453 7.7156 119.7553 59.6302 29.0589 177.4251 101 E 4.5095 8.3403 118.6009 56.9549 29.7888 178.0323 *103 H 4.7589 8.1432 118.0177 55.8401 32.0233 174.8564 104 R 3.9787 8.5687 119.1294 59.6452 29.8190 178.5041 105 L 4.0229 8.4405 119.0973 57.6524 41.6405 178.9254 106 E 3.9476 8.2485 118.8186 59.3669 29.5210 178.8783 107 K 3.9637 8.0928 118.3019 59.5034 32.0538 179.2104 108 E 3.9806 8.2028 118.7637 59.5845 29.3993 179.6346 109 R 3.9617 8.4951 118.2891 59.0835 30.1886 179.0450 110 A 3.9838 8.1441 120.5960 55.0697 18.4256 179.7189 111 K 3.9043 7.8538 116.6523 59.8007 32.1317 179.3609 112 Q 3.9820 8.5140 120.1528 58.9863 28.8698 177.8961 113 E 3.9181 8.4045 120.4901 59.3678 29.6814 178.8829 114 R 3.9082 7.8482 117.6893 59.2448 30.1027 178.6823 115 Q 3.9476 8.1117 119.1451 59.4612 29.0591 178.5933 116 L 4.0247 8.0956 119.8940 57.4330 41.6080 179.5634 117 K 3.9348 8.3109 119.9046 59.6361 32.2644 178.6788 118 N 4.3555 8.3586 116.9410 56.1225 38.4392 177.3964 119 K 3.9329 8.2230 121.0881 59.4355 32.3270 178.9122 120 K 4.0027 8.3281 120.1337 59.2900 32.0772 178.5841 121 Q 3.9901 8.2641 120.3448 59.3702 28.7852 178.4214 122 T 3.8957 7.6395 109.5296 64.5915 68.8735 175.7297 123 E 4.0413 8.0166 121.2593 59.6314 29.9281 178.8723 124 T 4.3325 8.5563 118.4043 66.8986 68.2843 177.3793 125 E 4.3532 8.1217 117.4377 58.8936 29.2249 181.6643 *127 L 4.1709 7.8254 121.6145 55.1146 43.3430 177.3466 128 Y 4.7745 7.4093 112.0252 57.3017 39.7779 176.3826 129 G 3.9976 8.2932 108.2187 44.9682 0.0000 173.7639 130 S 4.3830 8.4726 114.2469 58.1379 63.3101 174.0868 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 G 8.21 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 2 A 8.56 3.89 1.38 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 0.00 0.00 0.00 3 A 8.36 3.91 1.34 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 0.00 0.00 0.00 0.00 0.00 4 A 7.98 4.00 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 5 L 8.07 3.85 0.00 1.95 1.75 0.64 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.36 4.04 0.00 2.14 1.98 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 7 N 8.30 4.35 0.00 2.95 3.03 0.00 0.00 6.88 7.59 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 8 Y 8.22 4.15 0.00 2.90 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 9 Y 8.20 4.31 0.00 3.17 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 10 E 8.74 3.97 0.00 2.09 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 2.53 2.51 0.00 11 V 7.91 3.53 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 1.03 0.00 0.00 12 H 7.89 3.14 0.00 2.68 3.09 0.00 5.65 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 13 K 8.11 3.78 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 E 7.86 4.10 0.00 2.25 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 2.24 2.17 0.00 15 L 7.47 3.65 0.00 1.14 0.65 -0.48 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.96 4.42 0.00 3.05 2.93 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 17 E 8.60 4.12 0.00 2.15 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 2.35 2.47 0.00 18 G 8.22 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 V 7.85 3.26 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 0.80 0.00 0.00 0.17 0.00 0.00 20 Q 8.16 4.05 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 21 K 8.28 4.01 0.00 2.00 2.05 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 22 W 8.66 4.08 0.00 3.75 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 23 E 9.02 4.20 0.00 2.67 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 2.51 2.58 0.00 24 E 8.21 3.94 0.00 2.26 2.16 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 2.33 2.40 0.00 25 T 7.84 3.89 4.18 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 0.00 0.00 0.00 1.18 0.00 0.00 26 W 7.96 3.96 0.00 1.78 2.59 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 27 R 8.19 3.66 0.00 1.81 1.88 0.00 3.33 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 28 L 7.92 3.99 0.00 1.90 1.88 0.96 0.96 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 29 F 8.29 4.19 0.00 3.08 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 30 L 7.70 3.32 0.00 1.32 1.22 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.60 3.72 0.00 2.06 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 2.33 2.22 0.00 32 F 7.95 3.85 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 33 E 8.20 3.78 0.00 1.68 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 1.53 0.00 34 R 7.75 3.84 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 35 K 7.57 4.02 0.00 1.73 1.78 0.00 1.35 0.00 0.00 1.30 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.38 7.81 36 A 8.24 4.06 1.31 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 0.00 0.00 0.00 0.00 0.00 37 S 7.75 4.51 0.00 3.89 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 38 D 7.22 4.25 0.00 2.82 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.27 0.00 2.20 2.16 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 40 N 8.63 4.20 0.00 2.95 2.82 0.00 0.00 6.69 7.21 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 41 R 7.20 3.94 0.00 1.76 1.82 0.00 2.86 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.16 0.00 42 F 7.08 4.67 0.00 3.01 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 43 T 7.77 4.82 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 1.28 0.00 0.00 44 N 8.81 4.03 0.00 2.78 2.54 0.00 0.00 7.19 7.78 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 *50 L 8.85 4.17 0.00 1.69 1.69 0.91 0.76 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 51 K 7.45 4.63 0.00 1.67 1.76 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.01 7.81 52 E 8.16 4.39 0.00 2.16 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 2.58 2.48 0.00 53 E 8.19 4.03 0.00 1.99 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 2.42 2.34 0.00 54 K 7.58 3.89 0.00 1.89 1.83 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 55 Q 7.78 3.92 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.11 1.54 0.00 56 R 7.81 3.51 0.00 1.89 2.06 0.00 3.18 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 57 A 8.68 4.16 1.39 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 58 K 7.57 3.89 0.00 1.90 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 59 L 7.60 4.30 0.00 1.88 1.82 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.89 3.76 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.67 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 61 K 7.98 4.16 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 *63 L 7.90 4.36 0.00 2.04 2.08 0.52 0.94 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 64 P 0.00 4.44 0.00 2.13 2.02 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 65 K 7.59 4.02 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 66 L 8.07 4.48 0.00 2.14 2.02 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.70 4.12 0.00 2.28 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 2.32 2.89 0.00 68 E 8.28 4.02 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 2.24 2.22 0.00 69 E 8.15 4.14 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 2.34 2.51 0.00 70 L 8.02 3.89 0.00 1.94 1.74 0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.52 3.82 0.00 1.89 2.11 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.53 7.81 72 A 7.82 4.00 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 73 R 7.84 3.86 0.00 1.78 1.87 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 74 I 7.92 3.38 1.97 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 0.66 0.45 1.03 0.00 0.00 75 E 8.08 4.01 0.00 2.13 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 2.37 2.48 0.00 76 L 7.84 3.98 0.00 2.05 1.78 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.27 4.11 0.00 3.39 3.26 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 0.00 78 E 8.72 4.34 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.76 0.00 79 Q 7.93 3.93 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 80 E 7.85 3.95 0.00 1.84 1.65 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 1.83 2.16 0.00 81 H 7.47 4.51 0.00 2.56 2.98 0.00 5.86 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.61 3.73 0.00 3.87 3.83 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 83 K 7.16 4.62 0.00 1.51 1.72 0.00 1.64 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.54 7.81 84 A 8.60 4.60 1.32 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 85 F 9.85 4.64 0.00 3.37 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 *87 V 8.09 3.77 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 0.69 0.00 0.00 0.45 0.00 0.00 88 N 9.71 4.26 0.00 2.66 2.73 0.00 0.00 7.19 7.65 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 89 G 9.32 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 90 Q 7.67 4.54 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 91 K 8.67 4.35 0.00 1.91 1.83 0.00 2.06 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.45 7.81 92 F 8.96 4.50 0.00 3.19 3.26 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 0.00 *94 E 8.36 4.18 0.00 2.25 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 2.29 2.32 0.00 95 Y 8.01 3.95 0.00 3.04 2.78 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 96 V 7.27 2.36 1.47 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 0.68 0.00 0.00 -0.97 0.00 0.00 97 A 7.56 3.96 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 98 E 7.92 3.85 0.00 1.99 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 2.29 2.36 0.00 99 Q 7.43 4.09 0.00 1.48 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 100 W 7.72 4.65 0.00 3.50 3.23 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 0.00 101 E 8.34 4.51 0.00 2.17 1.95 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 2.34 2.41 0.00 *103 H 8.14 4.76 0.00 3.59 3.88 0.00 5.93 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 0.00 104 R 8.57 3.98 0.00 2.26 2.14 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 105 L 8.44 4.02 0.00 1.81 1.73 0.96 0.73 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 0.00 106 E 8.25 3.95 0.00 2.16 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 2.38 1.98 0.00 107 K 8.09 3.96 0.00 2.02 1.84 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.36 7.81 108 E 8.20 3.98 0.00 2.22 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 2.35 2.53 0.00 109 R 8.50 3.96 0.00 1.95 1.99 0.00 3.14 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 110 A 8.14 3.98 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 0.00 111 K 7.85 3.90 0.00 2.01 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 112 Q 8.51 3.98 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 113 E 8.40 3.92 0.00 2.24 1.93 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 2.31 2.36 0.00 114 R 7.85 3.91 0.00 2.10 1.99 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 115 Q 8.11 3.95 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 116 L 8.10 4.02 0.00 1.71 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.31 3.93 0.00 1.93 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 118 N 8.36 4.36 0.00 2.93 2.85 0.00 0.00 6.72 6.79 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 0.00 119 K 8.22 3.93 0.00 1.96 1.96 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 120 K 8.33 4.00 0.00 1.97 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.47 7.81 121 Q 8.26 3.99 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 122 T 7.64 3.90 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 0.00 123 E 8.02 4.04 0.00 2.12 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 2.30 2.35 0.00 124 T 8.56 4.33 4.37 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 1.40 0.00 0.00 125 E 8.12 4.35 0.00 1.99 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 2.24 2.22 0.00 *127 L 7.83 4.17 0.00 1.13 0.25 0.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.41 4.77 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.38 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.