NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 R 4.2115 8.2549 120.8652 56.2153 32.0408 176.0895 30 T 3.7833 8.4683 114.3476 62.6174 68.8654 172.9046 31 N 4.7699 9.7906 126.4083 51.8786 41.2097 175.9372 32 Q 3.9536 8.5283 118.2351 59.1230 28.5450 178.9928 33 A 4.1058 8.0875 121.3762 55.0971 18.5044 179.7338 34 G 3.5452 8.6264 104.4187 48.0136 0.0000 175.9821 35 L 4.0384 8.2323 121.4847 57.3766 41.3223 179.4414 36 E 3.9778 8.0900 118.1505 59.3397 29.4307 179.0321 37 L 4.1843 7.4095 118.3342 57.8433 41.7756 179.2909 38 I 3.7980 7.7894 119.0871 64.2085 37.5084 177.8903 39 G 3.9103 8.7847 108.2239 45.8842 0.0000 171.8875 40 N 4.2690 8.1113 117.2126 49.9421 42.0805 175.0352 41 A 2.9449 6.7291 121.2595 54.8446 18.4016 179.6527 42 E 3.9638 7.8324 116.8331 59.2878 29.4840 179.5900 43 G 3.6049 8.4110 106.3496 47.8725 0.0000 174.9062 44 C 4.6246 8.2370 120.8808 59.6289 43.4084 175.9640 45 R 3.9546 7.8050 119.2424 58.9271 29.7126 178.6075 46 R 4.4833 7.7314 114.2155 56.7631 30.2923 175.7154 47 D 4.6990 8.4905 119.0542 51.4518 42.7570 173.8309 48 P 4.5611 0.0000 0.0000 63.8563 31.7217 178.0153 49 Y 4.1227 8.2127 116.9107 60.8525 37.8381 176.8298 50 M 4.6206 8.2811 117.9683 56.2072 32.6096 176.0785 51 C 4.9056 8.0527 116.9953 55.6868 41.2748 171.8961 52 P 3.7783 0.0000 0.0000 62.1466 31.7769 176.9689 53 A 3.8543 7.7333 123.1621 54.6685 18.2076 180.4111 54 G 3.7273 7.9189 102.1194 47.7070 0.0000 174.3067 55 V 4.2155 7.7778 111.9109 61.0996 32.4713 176.7675 56 W 4.4817 8.1543 122.6666 56.2451 27.5371 176.4794 57 T 4.6397 7.3763 103.6211 60.8881 68.6660 174.3296 58 D 4.2986 7.9872 123.9173 55.7202 41.1497 176.9505 59 G 3.7328 8.9167 111.9260 46.1204 0.0000 173.3717 60 I 4.2715 7.1498 110.1104 60.0980 37.7922 176.3000 61 G 3.8411 7.9176 109.6022 46.5740 0.0000 172.3310 62 N 4.7720 8.6795 116.5307 54.5267 42.1398 175.5129 *65 G 4.1434 7.4522 102.4462 43.7308 0.0000 176.5823 66 V 3.7303 8.6185 116.0157 60.8590 31.8080 175.7296 67 T 4.0081 8.3166 112.7983 61.2326 68.9609 172.2406 68 P 4.4557 0.0000 0.0000 62.7622 32.0099 176.0577 69 G 4.2677 8.0596 108.1549 43.5045 0.0000 172.9682 70 V 3.7410 8.1588 113.6802 60.8957 32.1129 176.7915 71 R 4.2597 8.1844 119.7529 55.4108 30.4210 176.2150 72 K 4.2621 8.1940 118.0072 56.0966 33.0356 178.0415 73 T 4.2600 8.1476 112.3813 61.3660 71.0843 175.4511 74 D 4.4086 8.6091 121.7479 57.8873 40.7569 179.2591 75 Q 4.0009 8.0189 118.0271 58.8016 28.7718 178.3228 76 Q 3.9788 8.2601 120.8004 59.1164 28.8796 178.1676 77 I 3.8318 7.6553 119.7340 64.5078 37.3664 177.9616 78 A 4.1916 8.3862 121.4604 55.1541 17.9858 179.5846 79 A 4.0488 8.1777 118.5934 54.7660 18.6722 178.5848 80 D 4.7684 8.2337 115.3132 54.0740 41.2099 178.3001 81 W 4.2264 8.0917 131.2159 60.8558 30.8375 177.7986 82 E 4.1048 8.4662 118.0339 59.2428 28.8935 179.0343 83 K 3.9645 8.1557 119.2704 59.7443 32.2931 178.4680 84 N 4.3381 8.4893 116.9379 56.0950 38.3150 177.5196 85 I 3.7587 7.9479 121.5030 64.2235 37.0840 178.1143 86 L 3.9765 8.1066 121.1692 58.3162 41.8427 179.1303 87 I 3.6973 8.1062 119.7078 64.1643 36.9795 178.2914 88 A 3.9326 8.1711 121.6517 55.2457 18.1722 179.4899 89 E 3.8832 8.4034 117.2968 59.6263 29.5814 179.6450 90 R 3.9263 8.3668 118.9727 59.3183 30.1226 177.5203 91 C 4.2730 8.4840 118.6500 60.0292 44.5514 175.8012 92 I 3.8363 7.7524 121.1088 64.4324 36.7063 178.2442 93 N 4.5485 8.6545 117.6263 56.6977 38.2321 177.5940 94 Q 4.1462 8.5808 118.3171 58.1162 28.9297 176.6366 95 H 4.9135 8.4312 113.4194 55.4722 30.5718 174.1157 96 F 4.7767 7.8947 115.8011 56.4384 40.5611 174.5941 97 R 4.0443 8.4251 118.2687 56.9071 27.6266 178.6769 98 G 4.0724 8.3194 108.5735 48.1091 0.0000 176.9274 99 K 3.9653 8.0860 117.7350 58.6586 32.1627 177.4117 100 D 4.7254 8.1121 117.0071 55.0959 41.3990 176.7772 101 M 3.2727 7.2454 119.0499 53.5916 32.7721 175.0336 102 P 4.4314 0.0000 0.0000 62.2331 33.5070 177.4745 103 D 4.3884 8.5358 119.2871 57.7460 40.6075 179.0930 104 N 4.2976 8.0821 116.1807 56.2164 38.6039 177.1544 105 A 3.9020 7.8320 121.6645 55.0475 18.4605 179.1252 106 F 3.7625 8.1876 119.1934 61.6342 39.4236 177.6252 107 S 3.9967 8.4456 114.6598 61.3172 62.6332 176.4945 108 A 3.9268 8.2085 123.8644 55.4975 18.0532 179.6767 109 M 3.8407 8.1299 117.5037 58.5059 31.8520 179.1733 110 T 3.5241 7.5523 116.1053 66.4147 68.5602 176.3722 111 S 3.9795 7.9361 114.7777 61.4852 62.2680 176.1716 112 A 3.8871 7.8950 122.9504 55.1296 18.0313 179.4997 113 A 3.7190 8.0544 119.5678 54.9788 18.3818 179.5994 114 F 3.8391 8.4754 119.6819 61.4935 38.9594 176.9041 115 N 4.3217 8.3402 116.5746 55.8987 38.6165 175.9976 116 M 4.1530 8.2358 117.8899 53.4166 33.7690 177.1032 117 G 3.9783 7.5118 105.0712 46.0071 0.0000 173.7708 118 C 4.1003 8.6352 120.3952 59.6358 38.5595 175.7494 119 N 4.2579 8.1280 117.5639 56.6314 37.9448 177.4190 120 S 4.2594 7.4225 114.9812 61.2411 62.9410 176.1214 121 L 3.6976 7.5286 120.1347 56.1642 41.7960 178.7581 122 R 4.3240 7.8505 118.2296 57.4243 30.4894 175.7579 123 T 5.4146 7.3963 105.8075 60.4233 72.5005 172.6260 124 Y 5.0329 8.7421 118.9851 55.6422 41.9511 173.3260 125 Y 4.4958 8.7434 121.9551 56.8943 40.4759 173.9921 126 S 4.5889 8.0837 123.3479 56.8669 62.8346 174.7293 127 K 3.9965 8.8644 129.3833 59.3553 32.4025 177.7743 128 A 4.1160 8.0563 120.6062 54.6880 18.3665 178.1179 129 R 4.2233 7.6999 112.3916 55.5530 30.9230 176.8145 130 G 3.8448 8.5174 106.0383 44.8676 0.0000 172.8060 131 M 4.4597 6.5248 114.7020 53.8751 34.3708 173.2509 132 R 4.4528 8.5625 120.2050 56.4531 30.8247 175.7208 133 V 4.4718 8.3537 118.7191 58.9337 36.4301 174.4672 134 E 4.5462 8.5828 123.4475 56.3842 30.2919 176.8107 135 T 4.5303 8.6972 116.5940 61.4162 70.0818 175.8163 136 S 4.0238 8.8260 119.3811 61.8243 62.8389 176.7820 137 I 3.9715 8.0810 120.9018 64.4933 37.7645 177.3069 138 H 4.2743 8.5665 119.0227 59.0570 29.1670 177.1919 139 K 3.8661 8.1517 120.3546 59.5606 31.9270 179.3591 140 W 4.5222 8.3379 118.8151 59.6713 28.8994 178.4880 141 A 4.4224 8.5044 120.8959 55.5355 17.6916 179.7370 142 Q 3.9725 8.1567 115.3030 58.2154 28.8035 178.0120 143 K 4.3450 7.4689 116.5512 55.4152 32.4232 177.1298 144 G 2.4986 7.4146 107.1720 46.2656 0.0000 175.7488 145 E 4.0666 7.3574 121.9514 54.4814 27.0165 176.6587 146 W 4.5940 7.4127 123.0134 59.4534 29.6760 177.7677 147 V 3.6036 7.8658 117.8343 66.2721 30.7555 177.7127 148 N 4.0036 7.7301 114.1092 56.1474 38.5044 176.4618 149 M 4.4255 8.2436 119.7107 59.2350 32.4011 177.4638 150 C 4.2980 8.7753 116.7531 60.3627 40.2743 175.8197 151 N 4.3163 8.2473 115.6686 55.2514 38.1968 175.9592 152 H 4.7143 7.9820 116.4115 55.4600 29.6011 175.7266 153 L 4.3197 7.9123 122.8475 57.7543 41.6024 177.4479 154 P 4.5878 0.0000 0.0000 63.5677 30.8207 176.7370 155 D 4.3177 8.0512 117.8526 55.4075 41.0689 176.7974 156 F 4.6370 7.5721 117.8309 55.3539 38.7658 174.9244 157 V 4.4947 7.7173 112.7244 60.5616 33.3526 174.8186 158 N 5.4340 7.9808 117.4470 51.4504 41.0190 173.5941 159 S 4.6243 8.7607 115.6755 57.5968 64.9156 173.6265 160 N 4.2109 9.9837 126.1351 54.7388 37.1195 174.7832 161 G 3.9190 8.4825 102.4818 45.2115 0.0000 173.8391 162 V 4.2874 7.6586 121.0017 59.9351 32.7449 173.3126 163 P 5.1537 0.0000 0.0000 62.2082 32.1783 175.6089 164 L 4.8480 8.8367 121.0948 52.2803 44.9593 177.3678 165 R 4.0001 9.0346 123.8626 59.6871 29.9812 178.6809 166 G 3.2013 7.9487 104.7705 47.6072 0.0000 175.4881 167 L 4.2564 8.1291 120.7871 57.3492 41.7970 179.1205 168 K 3.9349 8.0854 119.6292 59.5323 32.1280 178.8697 169 I 3.6910 7.8624 120.0110 64.3118 36.9906 178.1743 170 R 3.9226 7.8082 118.9510 59.7929 29.8562 178.6628 171 R 4.1240 8.3063 117.8959 59.4641 30.0486 179.0134 172 E 3.9860 8.3639 118.3436 59.2366 29.4638 179.5497 173 K 4.0186 8.2806 118.6860 59.4277 32.0821 179.1994 174 E 3.9491 8.4044 119.0344 59.4076 29.3988 179.3572 175 R 3.9153 8.2704 118.8769 59.6393 29.9136 178.6431 176 Q 4.0164 7.9358 116.7718 58.6337 28.9865 178.1036 177 L 4.0719 7.8719 121.3886 58.3565 41.9526 178.0081 178 C 4.1606 8.2799 117.3515 59.8652 44.4353 175.1483 179 L 4.1260 8.0460 118.7243 55.2019 41.2253 176.8543 180 T 4.0894 7.2893 117.2766 64.9407 68.4706 174.7833 181 G 4.0202 9.1377 115.8811 45.2029 0.0000 173.6096 182 L 4.4492 7.8052 117.9215 55.2615 42.4145 176.5644 183 V 4.4972 7.2915 109.9886 58.5848 35.5239 174.4754 184 N 4.2593 8.7419 119.5149 54.2463 38.7022 174.8858 185 E 4.1265 8.9801 127.7716 59.2621 30.0185 177.3359 *186 H 4.4776 8.8300 120.7342 54.5587 29.1061 178.4127 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 29 R 8.25 4.21 0.00 1.59 1.98 0.00 2.70 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.00 30 T 8.47 3.78 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 1.19 0.00 0.00 31 N 9.79 4.77 0.00 2.98 2.99 0.00 0.00 6.65 7.99 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 32 Q 8.53 3.95 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 33 A 8.09 4.11 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 34 G 8.63 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.04 0.00 1.83 1.74 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.09 3.98 0.00 2.12 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 2.35 2.56 0.00 37 L 7.41 4.18 0.00 1.72 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.79 3.80 1.73 0.00 0.00 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 1.11 0.42 0.20 0.00 0.00 39 G 8.78 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 40 N 8.11 4.27 0.00 2.49 2.66 0.00 0.00 5.88 7.56 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 41 A 6.73 2.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.83 3.96 0.00 2.09 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 2.34 0.00 43 G 8.41 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.24 4.62 0.00 3.42 3.42 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 0.00 0.00 0.00 45 R 7.80 3.95 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 46 R 7.73 4.48 0.00 1.99 2.04 0.00 3.01 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 47 D 8.49 4.70 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.56 0.00 1.81 2.10 0.00 4.02 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 1.92 1.85 0.00 49 Y 8.21 4.12 0.00 3.35 3.38 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 50 M 8.28 4.62 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.84 0.00 51 C 8.05 4.91 0.00 2.99 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 52 P 0.00 3.78 0.00 1.70 0.85 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 53 A 7.73 3.85 1.18 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 0.00 0.00 0.00 54 G 7.92 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 55 V 7.78 4.22 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 0.75 0.00 0.00 0.97 0.00 0.00 56 W 8.15 4.48 0.00 3.29 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 57 T 7.38 4.64 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 1.29 0.00 0.00 58 D 7.99 4.30 0.00 2.71 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 59 G 8.92 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 60 I 7.15 4.27 1.89 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 1.45 0.71 1.01 0.00 0.00 61 G 7.92 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 62 N 8.68 4.77 0.00 2.73 2.78 0.00 0.00 6.83 7.91 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 *65 G 7.45 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.62 3.73 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 0.75 0.00 0.00 0.93 0.00 0.00 67 T 8.32 4.01 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 68 P 0.00 4.46 0.00 2.06 2.02 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 69 G 8.06 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 0.00 0.00 0.00 0.00 70 V 8.16 3.74 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 0.76 0.00 0.00 0.93 0.00 0.00 71 R 8.18 4.26 0.00 1.91 1.94 0.00 3.02 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 72 K 8.19 4.26 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.43 7.81 73 T 8.15 4.26 4.42 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 0.00 0.00 1.22 0.00 0.00 74 D 8.61 4.41 0.00 2.71 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 75 Q 8.02 4.00 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 76 Q 8.26 3.98 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 77 I 7.66 3.83 2.12 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 1.55 0.83 1.26 0.00 0.00 78 A 8.39 4.19 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 79 A 8.18 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.23 4.77 0.00 2.92 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 81 W 8.09 4.23 0.00 3.72 3.17 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 82 E 8.47 4.10 0.00 2.12 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 2.59 2.41 0.00 83 K 8.16 3.96 0.00 1.86 2.04 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 84 N 8.49 4.34 0.00 2.92 2.59 0.00 0.00 7.03 8.32 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 85 I 7.95 3.76 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.47 0.86 0.00 0.00 86 L 8.11 3.98 0.00 1.80 1.89 0.96 0.93 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 87 I 8.11 3.70 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.90 0.00 0.00 88 A 8.17 3.93 1.46 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 0.00 0.00 89 E 8.40 3.88 0.00 2.28 2.30 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 2.42 2.59 0.00 90 R 8.37 3.93 0.00 1.97 2.11 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 91 C 8.48 4.27 0.00 3.06 3.33 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 92 I 7.75 3.84 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.52 0.79 0.00 0.00 93 N 8.65 4.55 0.00 2.93 2.93 0.00 0.00 7.07 8.08 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 94 Q 8.58 4.15 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 95 H 8.43 4.91 0.00 3.34 3.08 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 7.89 4.78 0.00 3.15 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 97 R 8.43 4.04 0.00 2.46 2.37 0.00 3.20 0.00 0.00 3.69 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 98 G 8.32 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 0.00 0.00 0.00 99 K 8.09 3.97 0.00 1.78 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.61 7.81 100 D 8.11 4.73 0.00 3.21 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 0.00 101 M 7.25 3.27 0.00 1.47 1.86 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 2.04 0.81 0.00 102 P 0.00 4.43 0.00 2.09 1.94 0.00 3.01 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 103 D 8.54 4.39 0.00 2.67 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 0.00 104 N 8.08 4.30 0.00 2.72 3.08 0.00 0.00 7.02 7.74 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 0.00 105 A 7.83 3.90 1.14 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 0.00 0.00 0.00 0.00 0.00 106 F 8.19 3.76 0.00 3.09 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 0.00 107 S 8.45 4.00 0.00 4.07 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 0.00 108 A 8.21 3.93 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 0.00 109 M 8.13 3.84 0.00 1.66 1.96 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.72 0.00 110 T 7.55 3.52 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 1.07 0.00 0.00 111 S 7.94 3.98 0.00 3.81 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 0.00 112 A 7.90 3.89 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 0.00 113 A 8.05 3.72 1.20 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 0.00 114 F 8.48 3.84 0.00 2.95 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 0.00 115 N 8.34 4.32 0.00 3.08 2.85 0.00 0.00 7.10 7.81 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 0.00 116 M 8.24 4.15 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 117 G 7.51 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 118 C 8.64 4.10 0.00 3.01 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 0.00 119 N 8.13 4.26 0.00 2.76 2.86 0.00 0.00 7.09 7.15 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 0.00 120 S 7.42 4.26 0.00 3.85 3.96 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 0.00 0.00 0.00 121 L 7.53 3.70 0.00 1.69 1.46 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.85 4.32 0.00 1.97 1.82 0.00 3.01 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.03 0.00 123 T 7.40 5.41 4.31 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 1.16 0.00 0.00 124 Y 8.74 5.03 0.00 3.05 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 0.00 125 Y 8.74 4.50 0.00 3.07 2.96 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 0.00 0.00 0.00 126 S 8.08 4.59 0.00 3.48 3.44 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 0.00 127 K 8.86 4.00 0.00 1.90 1.88 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 128 A 8.06 4.12 1.28 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 0.00 0.00 129 R 7.70 4.22 0.00 1.65 1.86 0.00 3.20 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 130 G 8.52 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 0.00 131 M 6.52 4.46 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 132 R 8.56 4.45 0.00 1.91 1.85 0.00 3.19 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 133 V 8.35 4.47 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 0.42 0.00 0.00 0.26 0.00 0.00 134 E 8.58 4.55 0.00 1.93 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 2.32 2.27 0.00 135 T 8.70 4.53 4.64 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 1.66 0.00 0.00 136 S 8.83 4.02 0.00 3.80 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 0.00 137 I 8.08 3.97 2.29 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 1.75 1.76 1.16 0.00 0.00 138 H 8.57 4.27 0.00 3.49 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.15 3.87 0.00 1.69 1.37 0.00 1.49 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.59 7.81 140 W 8.34 4.52 0.00 3.44 3.30 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 0.00 141 A 8.50 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.16 3.97 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 143 K 7.47 4.34 0.00 2.00 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.47 7.81 144 G 7.41 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.36 4.07 0.00 2.27 1.66 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 2.47 2.77 0.00 146 W 7.41 4.59 0.00 3.38 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 0.00 147 V 7.87 3.60 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 1.01 0.00 0.00 0.95 0.00 0.00 148 N 7.73 4.00 0.00 1.79 1.42 0.00 0.00 6.81 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 0.00 149 M 8.24 4.43 0.00 2.55 2.41 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 3.09 2.80 0.00 150 C 8.78 4.30 0.00 3.17 3.17 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 0.00 151 N 8.25 4.32 0.00 2.82 2.80 0.00 0.00 7.04 7.69 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 0.00 152 H 7.98 4.71 0.00 3.51 3.64 0.00 5.67 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.91 4.32 0.00 1.92 1.79 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.59 0.00 2.02 2.08 0.00 3.80 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 2.02 2.12 0.00 155 D 8.05 4.32 0.00 1.94 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 0.00 0.00 0.00 156 F 7.57 4.64 0.00 3.01 2.96 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 0.00 0.00 0.00 157 V 7.72 4.49 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 0.86 0.00 0.00 0.91 0.00 0.00 158 N 7.98 5.43 0.00 2.73 2.71 0.00 0.00 6.43 7.50 0.00 0.00 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 S 8.76 4.62 0.00 3.93 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 0.00 160 N 9.98 4.21 0.00 2.88 2.88 0.00 0.00 7.23 7.98 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 0.00 161 G 8.48 3.92 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 0.00 0.00 0.00 162 V 7.66 4.29 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 1.13 0.00 0.00 1.03 0.00 0.00 163 P 0.00 5.15 0.00 2.25 2.05 0.00 3.40 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 164 L 8.84 4.85 0.00 1.93 1.91 1.27 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 165 R 9.03 4.00 0.00 1.87 1.91 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 166 G 7.95 3.20 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 0.00 167 L 8.13 4.26 0.00 2.10 1.80 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.09 3.93 0.00 1.87 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.49 7.81 169 I 7.86 3.69 1.99 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 1.39 0.57 0.91 0.00 0.00 170 R 7.81 3.92 0.00 2.11 2.21 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 171 R 8.31 4.12 0.00 2.02 2.09 0.00 3.60 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 172 E 8.36 3.99 0.00 2.16 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 2.50 0.00 173 K 8.28 4.02 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 174 E 8.40 3.95 0.00 2.17 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 2.31 2.45 0.00 175 R 8.27 3.92 0.00 1.94 2.16 0.00 3.25 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 176 Q 7.94 4.02 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 177 L 7.87 4.07 0.00 1.78 1.83 0.98 0.87 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 0.00 178 C 8.28 4.16 0.00 3.16 3.34 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 0.00 179 L 8.05 4.13 0.00 1.76 1.69 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.29 4.09 4.36 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 1.21 0.00 0.00 181 G 9.14 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 0.00 0.00 0.00 182 L 7.81 4.45 0.00 1.82 1.78 1.12 1.14 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 0.00 183 V 7.29 4.50 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 0.71 0.00 0.00 0.93 0.00 0.00 184 N 8.74 4.26 0.00 2.67 2.76 0.00 0.00 7.02 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 0.00 185 E 8.98 4.13 0.00 1.98 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 2.32 2.37 0.00 *186 H 8.83 4.48 0.00 2.82 2.74 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.