NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 S 5.3620 8.5598 114.8095 58.7102 64.1909 172.9650 24 N 4.9469 8.9091 117.6140 51.8805 38.5153 172.3423 25 A 4.5163 8.5096 121.7547 50.6951 23.4884 176.5394 26 I 4.6145 7.9738 121.1052 59.8499 39.2995 175.0258 27 Y 4.6886 8.9763 125.3385 56.2276 40.6870 175.7319 28 G 4.2469 9.5550 109.9471 45.8252 0.0000 173.5657 29 Y 4.4436 8.7211 116.9432 58.3316 39.3521 175.5556 30 V 4.2373 6.6617 120.1967 60.8892 34.8286 173.9212 31 E 4.7759 8.4254 125.2243 54.4039 34.4186 174.6384 32 K 4.7987 8.8905 121.1110 56.4964 33.1066 176.2984 33 A 4.8787 9.0161 124.8900 50.5326 23.5254 174.7975 34 T 4.9349 8.6575 115.2311 61.8352 72.3522 173.8524 35 L 4.7773 9.1442 128.0262 53.5098 41.3981 177.6701 36 I 3.7722 8.4793 119.4763 63.5227 37.8791 178.3292 37 D 4.4234 8.4735 119.7633 56.7577 40.9600 176.7004 38 Q 4.4156 7.9334 113.7314 54.4585 29.8627 174.3562 39 N 4.0452 7.7861 114.7624 54.4630 38.0145 173.9388 40 L 4.2610 7.8296 119.4676 53.7376 43.5433 175.0834 41 T 4.9320 8.2906 123.8004 62.5582 69.6481 174.4499 42 L 4.9297 9.0146 125.7071 52.6244 46.3977 176.0745 43 S 4.8536 8.7247 117.0464 58.6910 64.2962 173.0672 44 A 5.0522 9.2823 126.0258 49.9190 22.2164 174.7486 45 K 4.2949 8.6328 123.1157 55.1697 34.1146 175.4707 46 L 4.8593 8.6558 128.1562 53.5726 42.6373 175.9523 47 D 4.9148 9.2737 126.1582 52.4118 42.4211 176.6382 48 T 4.1155 8.6988 116.4593 63.3558 69.2790 176.2213 49 G 3.6513 8.3605 110.8409 47.1613 0.0000 173.3814 50 A 4.7253 7.6054 121.5920 49.9711 21.7813 177.1952 51 K 3.9149 8.8067 123.1669 59.5027 33.2934 177.2082 52 S 4.9474 8.0420 114.7464 57.5189 65.1876 173.2570 53 A 5.0572 8.3213 123.1966 51.1497 21.4010 176.1767 54 S 5.1308 8.8403 113.0981 57.1905 67.1641 172.8690 55 L 5.1054 8.8961 122.8042 53.5695 45.5934 174.6645 56 H 4.7861 8.9238 126.8489 56.4987 30.3081 174.3129 57 A 4.9251 8.6413 126.1405 51.0092 22.5138 175.6126 58 V 4.4497 8.5990 113.8880 59.3468 36.3703 175.0257 59 N 4.4198 8.7253 115.9191 54.5059 35.9009 175.1700 60 I 4.4028 7.8284 118.1378 61.7099 37.9576 176.4080 61 T 4.7375 9.1237 121.1915 60.2870 71.4934 171.6573 62 E 5.1072 8.7478 126.6459 54.7051 31.0652 174.9337 63 I 4.7845 8.6386 119.4494 59.0968 41.5129 173.5794 64 E 5.2176 8.7641 123.3295 54.4758 32.2480 175.4961 65 K 4.3179 9.1819 124.9412 55.2023 34.8533 176.7958 66 K 4.0066 9.7203 126.2512 57.4895 29.3126 176.5502 67 G 3.9685 8.1062 103.3764 45.7565 0.0000 172.7697 68 I 4.4722 7.5703 121.9207 58.6619 38.9095 173.0626 69 P 5.1049 0.0000 0.0000 63.0871 32.6496 174.8963 70 Y 5.2966 9.4616 120.6846 56.2089 42.4637 174.1638 71 L 5.3024 9.1321 121.2987 53.2064 44.6683 175.5639 72 R 5.2961 8.8566 123.9808 55.0356 32.5953 174.6974 73 F 5.2210 8.3055 118.2262 56.5957 41.9278 172.5467 74 T 5.1280 8.9589 116.5515 61.9093 71.5423 173.5800 75 V 4.6815 9.4629 127.6003 60.6986 32.8463 172.8326 76 P 5.3305 0.0000 0.0000 62.0571 32.6281 175.5673 77 T 4.7905 8.6009 111.9870 59.4319 72.2118 174.8312 78 K 4.0058 8.6513 120.6319 59.9005 32.4554 178.0731 79 T 4.1019 7.9199 107.0178 62.0261 69.3757 174.0790 80 G 4.1748 6.9880 108.2796 43.0924 0.0000 171.7955 81 D 5.0507 8.1691 119.8233 53.9018 42.4902 175.5418 82 Y 4.5822 8.9176 120.1124 56.3103 41.1356 174.6505 83 S 5.1235 8.5402 120.2649 57.1876 64.6667 173.5712 84 F 4.7224 8.8346 122.4024 55.4767 43.1858 173.6551 85 E 5.2705 8.8524 119.4851 54.6936 32.2545 175.7010 86 G 4.5330 9.3480 110.7919 43.9532 0.0000 171.8728 87 E 3.3048 8.6658 121.4734 56.3872 30.5546 175.5645 88 Y 4.7443 8.4536 126.7804 57.2446 39.4150 175.3482 89 V 4.0589 7.9575 119.1663 61.0471 33.7569 176.9968 90 G 3.5271 5.8327 110.7402 44.6048 0.0000 173.6967 91 K 4.4930 8.1855 120.7822 54.8471 33.0788 176.5824 92 V 3.9802 7.6165 132.8154 61.7422 35.9070 172.8098 *110 P 4.0828 0.0000 0.0000 61.7710 32.0845 175.7240 111 I 4.0260 8.2080 116.5908 60.0668 37.6761 175.5054 112 K 4.2394 8.5769 126.6264 56.9384 32.7518 176.5002 113 R 4.4507 7.6064 118.0421 53.6289 29.8521 170.4234 114 P 4.7495 0.0000 0.0000 61.9497 32.7933 175.6724 115 V 4.8509 8.5954 124.7347 61.0157 34.5491 174.6042 116 V 5.0484 8.6576 119.6567 59.5415 36.3828 174.3148 117 L 4.9001 8.4226 122.7285 54.1314 42.6353 176.5634 118 L 4.9405 8.9904 123.0962 52.9873 46.0490 175.2195 119 N 5.2881 8.7828 119.8795 52.4515 40.3343 174.0406 120 I 4.8654 8.8532 124.6759 59.3304 41.2006 174.2480 121 K 5.1200 9.2319 128.4822 54.7687 34.4044 174.6246 122 L 4.5085 8.7625 129.4278 52.5784 44.6998 176.5209 123 G 3.7709 8.8046 116.8186 47.4655 0.0000 172.9897 124 D 4.8690 8.9698 122.7909 53.5022 40.8932 175.4692 125 K 4.7294 8.1724 119.5815 54.5242 34.4168 175.1478 126 V 5.1268 8.3684 122.4500 61.3799 33.8531 174.7191 127 R 4.6026 8.8749 124.8194 54.7214 35.0333 174.4760 128 T 4.6499 8.3575 118.1461 63.0295 69.1095 174.2310 129 I 4.4564 8.7337 128.3727 59.0505 40.2995 175.0272 130 K 4.5842 8.5351 127.8889 55.9983 33.0062 175.9873 131 V 4.5573 8.8478 127.4637 61.0091 34.7604 174.1958 132 N 4.9088 9.1886 126.1948 53.1953 39.7977 173.9641 133 L 4.8349 8.5702 124.0648 53.7085 43.3159 176.0565 134 T 4.6335 8.2637 117.8779 60.2700 70.2071 174.2380 135 N 4.7426 9.1062 125.0516 54.5375 38.9149 175.2384 136 R 3.9479 7.6602 118.3994 55.8089 30.0744 176.7606 137 K 3.6338 8.6374 123.6179 56.3924 32.3971 176.6674 138 R 4.4929 8.0197 122.9816 54.4207 31.6933 175.4357 139 F 4.1987 8.7603 126.1484 60.7549 40.0840 176.6001 140 L 3.9262 7.9634 119.4949 58.0494 40.6891 176.8405 141 Y 4.8185 7.0465 120.2751 54.3406 38.3478 173.2390 142 P 4.4555 0.0000 0.0000 64.5148 32.9195 175.7977 143 L 5.2048 7.7043 122.7502 52.8680 44.8616 174.8440 144 L 5.1447 9.1644 128.0900 53.2348 45.1630 174.6978 145 L 4.7329 9.1240 127.0017 53.3514 43.7062 176.7390 146 G 4.1951 7.8291 112.4152 44.6254 0.0000 173.4875 147 R 3.9102 8.8386 117.8339 59.4451 29.9094 178.7814 148 D 4.3425 8.1602 118.4107 57.3619 40.8415 178.8999 149 A 3.9611 7.8984 120.5694 55.3004 18.5186 179.5388 150 I 3.8391 8.0827 118.6067 64.7050 37.0666 178.7981 151 I 3.7758 8.3449 121.1017 64.3923 36.6765 178.0996 152 D 4.2796 7.8100 118.9361 57.2986 40.7469 178.1733 153 F 4.5206 8.1280 114.8674 56.8248 39.6961 174.7486 154 N 4.2503 8.6027 117.4414 54.8964 37.7298 173.2436 155 G 4.7793 8.4067 102.1142 44.3603 0.0000 173.3479 156 A 5.0535 8.7165 121.8136 49.7891 22.8404 175.3485 157 V 4.7474 8.3288 118.6933 61.1947 34.0318 174.3480 158 D 4.9022 9.2052 129.2102 52.0000 42.0104 174.9857 159 P 4.5488 0.0000 0.0000 63.9693 31.6461 177.1171 160 A 4.1791 8.5376 122.3167 53.7477 19.0429 177.4240 161 L 4.8804 7.9328 116.2952 53.1696 44.1056 175.6566 162 T 4.5451 7.7118 109.5065 60.9091 72.3574 173.3275 163 F 4.0148 8.2375 120.1342 59.0645 36.9568 177.5963 164 T 4.0876 8.1431 109.8478 64.3829 69.4043 175.6686 165 T 4.1905 8.0355 110.6619 61.8674 69.0279 174.7766 166 K 4.2229 7.7977 127.0647 56.9426 32.6647 175.9863 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 23 S 8.56 5.36 0.00 4.13 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 24 N 8.91 4.95 0.00 2.66 2.89 0.00 0.00 6.64 6.39 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 25 A 8.51 4.52 0.65 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 26 I 7.97 4.61 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.87 0.00 0.00 27 Y 8.98 4.69 0.00 2.82 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 28 G 9.56 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 0.00 0.00 0.00 0.00 29 Y 8.72 4.44 0.00 2.99 3.11 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 0.00 0.00 0.00 30 V 6.66 4.24 0.89 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 0.16 0.00 0.00 -0.59 0.00 0.00 31 E 8.43 4.78 0.00 1.62 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 32 K 8.89 4.80 0.00 1.69 1.75 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.49 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.36 7.81 33 A 9.02 4.88 1.10 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 34 T 8.66 4.93 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 1.27 0.00 0.00 35 L 9.14 4.78 0.00 1.77 1.80 0.92 -0.02 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 36 I 8.48 3.77 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 1.01 0.00 0.00 37 D 8.47 4.42 0.00 2.80 3.08 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 0.00 0.00 0.00 38 Q 7.93 4.42 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 39 N 7.79 4.05 0.00 2.88 2.87 0.00 0.00 6.94 7.07 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 40 L 7.83 4.26 0.00 1.57 1.62 -0.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.29 4.93 4.20 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 1.23 0.00 0.00 42 L 9.01 4.93 0.00 1.48 1.50 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.72 4.85 0.00 4.15 4.08 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 0.00 0.00 0.00 44 A 9.28 5.05 1.10 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 45 K 8.63 4.29 0.00 1.50 1.62 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 46 L 8.66 4.86 0.00 1.42 1.58 0.67 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.27 4.91 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 4.12 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 1.23 0.00 0.00 49 G 8.36 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 50 A 7.61 4.73 1.22 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 0.00 0.00 51 K 8.81 3.91 0.00 1.85 1.80 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.46 7.81 52 S 8.04 4.95 0.00 3.80 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 53 A 8.32 5.06 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 54 S 8.84 5.13 0.00 3.87 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 55 L 8.90 5.11 0.00 1.63 1.34 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.92 4.79 0.00 3.20 3.22 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.64 4.93 1.08 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 0.00 0.00 0.00 0.00 0.00 58 V 8.60 4.45 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 0.76 0.00 0.00 0.97 0.00 0.00 59 N 8.73 4.42 0.00 2.91 2.92 0.00 0.00 6.98 7.45 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 60 I 7.83 4.40 1.90 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 1.31 0.53 0.96 0.00 0.00 61 T 9.12 4.74 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 1.25 0.00 0.00 62 E 8.75 5.11 0.00 1.94 1.79 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 2.36 2.10 0.00 63 I 8.64 4.78 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.29 0.93 0.00 0.00 64 E 8.76 5.22 0.00 1.98 1.87 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 2.23 2.43 0.00 65 K 9.18 4.32 0.00 1.50 1.52 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.13 1.19 7.81 66 K 9.72 4.01 0.00 1.89 1.87 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.42 7.81 67 G 8.11 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 68 I 7.57 4.47 2.26 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 1.42 0.86 0.93 0.00 0.00 69 P 0.00 5.10 0.00 2.22 2.43 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 70 Y 9.46 5.30 0.00 2.83 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 71 L 9.13 5.30 0.00 1.82 1.75 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.86 5.30 0.00 1.92 1.82 0.00 3.10 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 73 F 8.31 5.22 0.00 3.15 3.12 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 74 T 8.96 5.13 4.46 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 1.28 0.00 0.00 75 V 9.46 4.68 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.12 0.00 0.00 76 P 0.00 5.33 0.00 2.18 2.16 0.00 3.33 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.78 0.00 77 T 8.60 4.79 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 1.27 0.00 0.00 78 K 8.65 4.01 0.00 1.89 1.97 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.43 7.81 79 T 7.92 4.10 4.35 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 1.26 0.00 0.00 80 G 6.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 5.05 0.00 2.56 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 82 Y 8.92 4.58 0.00 3.07 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 83 S 8.54 5.12 0.00 3.60 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 84 F 8.83 4.72 0.00 1.51 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 5.27 0.00 1.84 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 2.22 2.23 0.00 86 G 9.35 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 3.30 0.00 1.74 1.57 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 1.79 2.05 0.00 88 Y 8.45 4.74 0.00 2.92 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 89 V 7.96 4.06 1.89 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 0.57 0.00 0.00 0.82 0.00 0.00 90 G 5.83 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.49 0.00 1.66 1.73 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.37 7.81 92 V 7.62 3.98 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 *110 P 0.00 4.08 0.00 2.10 2.01 0.00 3.71 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 1.92 2.07 0.00 111 I 8.21 4.03 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.62 0.00 0.00 112 K 8.58 4.24 0.00 1.74 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.42 7.81 113 R 7.61 4.45 0.00 1.78 1.83 0.00 3.29 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 114 P 0.00 4.75 0.00 2.21 2.22 0.00 3.43 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 115 V 8.60 4.85 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 1.05 0.00 0.00 1.03 0.00 0.00 116 V 8.66 5.05 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 0.92 0.00 0.00 117 L 8.42 4.90 0.00 1.51 1.58 0.89 0.68 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 0.00 118 L 8.99 4.94 0.00 1.53 1.52 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.78 5.29 0.00 2.79 2.79 0.00 0.00 6.85 7.32 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 0.00 120 I 8.85 4.87 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.01 0.98 0.00 0.00 121 K 9.23 5.12 0.00 1.84 1.69 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.52 7.81 122 L 8.76 4.51 0.00 0.73 0.15 0.47 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.80 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 0.00 0.00 0.00 124 D 8.97 4.87 0.00 2.72 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 0.00 125 K 8.17 4.73 0.00 2.25 2.01 0.00 1.93 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 126 V 8.37 5.13 2.13 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 0.92 0.00 0.00 0.99 0.00 0.00 127 R 8.87 4.60 0.00 0.91 1.29 0.00 3.08 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.55 0.00 128 T 8.36 4.65 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 0.00 129 I 8.73 4.46 1.87 0.00 0.00 0.58 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 1.17 0.91 0.00 0.00 130 K 8.54 4.58 0.00 1.71 1.66 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.35 7.81 131 V 8.85 4.56 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 0.90 0.00 0.00 0.96 0.00 0.00 132 N 9.19 4.91 0.00 2.61 2.68 0.00 0.00 6.55 6.61 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 0.00 133 L 8.57 4.83 0.00 1.48 1.44 0.22 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.26 4.63 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 1.27 0.00 0.00 135 N 9.11 4.74 0.00 2.76 2.89 0.00 0.00 7.12 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 0.00 136 R 7.66 3.95 0.00 1.85 1.90 0.00 3.17 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 137 K 8.64 3.63 0.00 1.73 1.73 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.47 7.81 138 R 8.02 4.49 0.00 1.71 1.84 0.00 3.50 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 139 F 8.76 4.20 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.96 3.93 0.00 1.23 1.75 0.79 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.05 4.82 0.00 3.01 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 0.00 142 P 0.00 4.46 0.00 2.13 2.33 0.00 3.93 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 2.09 1.96 0.00 143 L 7.70 5.20 0.00 1.66 1.52 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.16 5.14 0.00 1.70 1.47 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 145 L 9.12 4.73 0.00 1.51 1.57 0.77 0.89 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 0.00 146 G 7.83 4.20 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 0.00 0.00 0.00 147 R 8.84 3.91 0.00 1.82 2.00 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 148 D 8.16 4.34 0.00 2.80 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 0.00 149 A 7.90 3.96 1.44 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 0.00 0.00 150 I 8.08 3.84 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 1.06 0.00 0.00 151 I 8.34 3.78 2.04 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 1.54 0.80 0.91 0.00 0.00 152 D 7.81 4.28 0.00 2.61 2.36 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 0.00 153 F 8.13 4.52 0.00 3.18 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 0.00 154 N 8.60 4.25 0.00 3.00 2.91 0.00 0.00 6.86 8.70 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 0.00 155 G 8.41 4.78 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 0.00 156 A 8.72 5.05 1.21 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 0.00 0.00 157 V 8.33 4.75 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 0.91 0.00 0.00 1.00 0.00 0.00 158 D 9.21 4.90 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.55 0.00 2.05 2.06 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 160 A 8.54 4.18 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 0.00 161 L 7.93 4.88 0.00 1.73 1.57 0.96 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.71 4.55 3.52 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 0.95 0.00 0.00 163 F 8.24 4.01 0.00 3.28 3.05 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 0.00 0.00 0.00 164 T 8.14 4.09 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 1.22 0.00 0.00 165 T 8.04 4.19 4.28 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 1.38 0.00 0.00 166 K 7.80 4.22 0.00 1.85 2.23 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.