NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.3748 8.0433 122.5069 55.2911 42.8283 177.3980 18 Q 4.1084 7.9173 118.6460 57.4310 29.6425 174.6770 19 D 4.3068 8.3184 115.9074 52.9672 47.3800 175.4248 20 A 2.9982 7.9419 122.5315 52.0431 17.5606 175.2654 21 E 3.8746 5.9000 114.2951 57.4919 30.9719 177.8778 22 W 4.2960 5.3228 117.7696 59.7485 29.3492 176.0425 23 Y 4.9620 7.7028 114.7358 56.9681 38.4650 175.4385 24 W 4.6359 9.5006 124.0653 58.4249 29.8607 175.3554 25 G 3.0310 9.4168 109.1352 44.8843 0.0000 168.7927 26 D 4.3060 8.0378 129.6257 52.2193 40.8947 171.7216 27 I 4.5239 7.3917 120.6150 58.8184 37.9804 175.9443 28 S 4.7138 8.2600 115.2146 55.8616 66.9614 174.3122 29 R 3.9056 8.5316 119.7740 59.2162 29.5513 179.0052 30 E 3.9673 8.1183 118.0280 59.6831 29.3355 178.9212 31 E 3.9990 7.5185 116.7104 59.7104 29.9400 178.9700 32 V 3.1424 7.7220 117.2721 66.9791 31.4270 177.1556 33 N 4.1410 8.7336 115.7032 57.1610 38.6655 176.9295 34 E 4.0168 8.0854 120.7374 59.1092 29.7560 179.0210 35 K 4.3786 7.8499 118.3291 58.0090 31.5958 177.5257 36 L 4.7092 8.4177 119.1688 54.0685 41.6118 178.2512 37 R 3.9794 7.8335 115.4612 57.9258 30.2426 176.8792 38 D 4.7563 7.3372 117.3928 53.0614 42.1944 173.2301 39 T 4.5384 7.5266 111.8787 59.6551 72.1885 173.4121 40 A 4.3060 8.4111 123.3274 52.9913 19.0992 176.6697 41 D 4.7281 9.2337 113.0870 51.9537 40.6149 177.2737 42 G 4.9593 6.8695 123.4805 46.2380 0.0000 169.9962 43 T 5.4086 7.1227 119.8589 62.0544 72.2959 174.6927 44 F 5.3086 8.3636 114.1778 56.6085 40.2679 173.4353 45 L 4.8907 8.5135 123.3356 54.2517 43.5379 174.7602 46 V 4.4106 8.0973 117.1683 61.4271 34.5575 175.9837 47 R 4.4385 8.3391 125.0440 53.9638 32.8623 174.1464 48 D 4.6873 8.2229 126.3452 54.2773 41.8838 177.1192 49 A 4.6767 8.6526 130.8887 51.1367 17.9157 176.4837 50 S 4.8209 7.8069 112.0269 58.3130 63.9319 175.5274 51 T 4.6050 7.0561 113.7463 62.1250 67.6361 173.8705 52 K 4.2257 8.3238 123.3761 55.6601 36.6105 174.7948 53 M 3.3982 8.6019 115.5371 56.2486 29.6478 176.5120 54 H 4.6636 8.2249 115.1843 55.1031 31.7604 173.2325 55 G 4.1586 7.8896 106.8163 44.0122 0.0000 172.4086 56 D 3.7916 8.3042 120.7219 55.4233 40.5934 178.7938 57 Y 5.0113 7.8601 126.0909 58.0372 42.9793 175.4130 58 T 4.7511 8.5978 118.9560 63.2911 73.5170 173.5553 59 L 4.5824 8.9971 127.6403 54.9855 43.1756 176.3209 60 T 5.2616 8.6449 119.3786 61.6626 72.5852 172.9597 61 L 5.2659 8.8567 125.2765 54.0268 44.7359 175.4847 62 R 4.5113 8.5096 121.7974 54.7117 31.1196 176.7050 63 K 4.7381 8.2953 131.5356 56.3819 32.2413 177.3785 64 G 4.3164 8.3389 107.7883 44.1592 0.0000 175.0345 65 G 4.7883 7.1242 118.3368 46.1522 0.0000 171.8643 66 N 4.6023 7.3291 119.2691 51.3174 38.8432 173.1322 67 N 4.6620 8.6189 124.3571 53.1637 38.0942 174.3653 68 K 4.3269 9.3988 127.2754 55.2714 33.4898 175.2730 69 L 4.8134 8.5205 129.7955 54.4083 43.6199 175.6840 70 I 4.8283 9.0925 125.6135 59.6500 41.2131 174.8885 71 K 4.7682 9.0236 125.8961 56.0768 33.4538 176.0630 72 I 4.2462 8.3760 123.4835 59.8865 39.1761 175.8662 73 F 4.7595 7.3516 126.5560 56.6458 37.9816 174.6384 74 H 5.0211 8.4848 124.5942 54.2493 31.7738 172.5553 75 R 4.2561 7.2821 118.9005 56.5314 31.9288 175.2565 76 D 4.8475 7.7073 117.1005 53.7377 43.4819 176.8902 77 G 4.5101 7.5048 113.9037 45.4265 0.0000 172.9976 78 K 4.3717 7.5787 119.3069 55.9214 35.2905 175.2173 79 Y 4.7560 7.8271 113.8473 56.7403 41.9214 174.2478 80 G 4.7156 9.2167 111.0832 44.1236 0.0000 173.0447 81 F 4.4227 9.4957 124.0708 58.7328 44.1566 174.4555 82 S 4.6951 8.4937 111.3541 59.7131 67.1223 174.0808 83 D 4.8902 8.1009 119.9412 51.7837 42.2155 175.3710 84 P 4.5964 0.0000 0.0000 63.5316 29.9477 177.6453 85 L 3.7281 7.8550 115.3479 55.4591 38.5591 173.8931 86 T 4.6370 7.0087 114.5691 64.2300 75.0204 176.3449 87 F 4.0293 8.1194 116.2548 57.8993 38.0206 175.3443 88 N 4.4494 6.8870 116.0592 53.0231 36.8314 173.8499 89 S 4.8556 8.2519 112.7569 57.0518 67.4781 175.3530 90 V 3.5602 8.5239 124.1916 65.7475 31.5883 178.2583 91 V 3.7111 7.8861 117.5217 66.0738 30.9720 177.5668 92 E 3.9281 8.0445 117.7049 59.8005 29.9229 177.7065 93 L 3.8250 7.7469 121.1697 56.7633 42.0047 178.2452 94 I 3.3949 8.2660 118.8173 64.2846 37.8506 177.6713 95 N 4.1743 7.8454 117.1743 56.9863 38.6579 176.4247 96 H 3.8655 8.1989 118.2706 58.7369 29.7509 175.8806 97 Y 4.3783 7.4820 117.2610 59.2000 38.2306 177.5696 98 R 3.8389 8.1534 120.0687 59.1031 30.3353 177.2550 99 N 4.6328 7.7582 114.1241 54.6223 40.7020 175.9393 100 E 4.2347 7.7963 113.3771 55.7876 28.1359 178.7423 101 S 5.0365 8.7774 119.8641 59.0963 66.4084 178.2533 102 L 4.0153 7.7034 125.1922 54.7753 38.9516 177.1481 103 A 4.6548 8.2232 121.9396 52.0339 19.8141 178.2424 104 Q 4.3019 8.0045 115.0700 57.8837 29.2745 176.2806 105 Y 3.5716 7.7748 114.0479 59.9259 37.9580 175.7444 106 N 4.6916 8.3333 123.6076 51.5375 39.9066 174.0742 107 P 4.4538 0.0000 0.0000 63.3616 32.2865 177.0233 108 K 3.8486 8.7782 113.6035 57.9539 31.1785 174.9899 109 L 4.4591 8.1249 117.2546 55.9999 42.3726 174.0635 110 D 4.6755 8.1051 115.1994 53.2475 41.9772 175.0526 111 V 4.5488 8.2329 119.1434 61.1105 35.4069 174.6330 112 K 4.5254 8.5120 124.0432 54.2038 34.9018 177.4612 113 L 4.4268 7.9151 129.9517 54.2665 39.0452 176.3936 114 L 4.4590 7.2683 117.7832 55.2560 43.2666 178.1894 115 Y 4.9152 7.8449 113.7067 56.4533 39.4162 172.7295 116 P 4.4231 0.0000 0.0000 62.0056 33.0619 176.8439 117 V 4.5898 7.5129 110.5098 60.0124 35.5476 175.9437 118 S 3.7565 7.6548 114.4440 58.4985 65.5360 176.0489 119 K 4.3803 8.2826 119.8933 56.0175 33.5468 175.7025 120 Y 3.8784 8.1829 122.2840 58.5304 37.7274 176.3307 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 17 L 8.04 4.37 0.00 1.83 1.81 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.92 4.11 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 19 D 8.32 4.31 0.00 2.59 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.94 3.00 0.97 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 21 E 5.90 3.87 0.00 1.16 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 1.47 1.47 0.00 22 W 5.32 4.30 0.00 3.31 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 23 Y 7.70 4.96 0.00 2.96 2.82 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 0.00 0.00 0.00 0.00 24 W 9.50 4.64 0.00 3.23 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 25 G 9.42 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 0.00 0.00 0.00 26 D 8.04 4.31 0.00 2.74 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 0.00 0.00 0.00 0.00 27 I 7.39 4.52 1.84 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 1.01 0.00 0.00 28 S 8.26 4.71 0.00 4.00 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 29 R 8.53 3.91 0.00 1.86 2.01 0.00 3.13 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 30 E 8.12 3.97 0.00 2.02 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 2.41 2.41 0.00 31 E 7.52 4.00 0.00 1.76 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 2.43 2.58 0.00 32 V 7.72 3.14 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 0.84 0.00 0.00 0.59 0.00 0.00 33 N 8.73 4.14 0.00 2.83 2.80 0.00 0.00 7.34 7.17 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 34 E 8.09 4.02 0.00 2.32 2.09 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 2.39 2.43 0.00 35 K 7.85 4.38 0.00 2.24 2.08 0.00 1.98 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 2.02 7.81 36 L 8.42 4.71 0.00 1.88 1.69 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.83 3.98 0.00 1.91 2.37 0.00 3.10 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 38 D 7.34 4.76 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.53 4.54 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 1.32 0.00 0.00 40 A 8.41 4.31 1.13 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 0.00 0.00 41 D 9.23 4.73 0.00 2.67 2.44 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 42 G 6.87 4.96 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 0.00 0.00 0.00 43 T 7.12 5.41 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 1.39 0.00 0.00 44 F 8.36 5.31 0.00 3.03 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 45 L 8.51 4.89 0.00 1.32 1.76 0.81 0.29 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 46 V 8.10 4.41 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 0.20 0.00 0.00 -0.38 0.00 0.00 47 R 8.34 4.44 0.00 1.82 1.69 0.00 3.29 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 48 D 8.22 4.69 0.00 2.66 2.65 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 49 A 8.65 4.68 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 50 S 7.81 4.82 0.00 4.02 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 51 T 7.06 4.61 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 1.24 0.00 0.00 52 K 8.32 4.23 0.00 1.80 1.73 0.00 1.95 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 53 M 8.60 3.40 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 54 H 8.22 4.66 0.00 3.24 3.22 0.00 5.92 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 55 G 7.89 4.16 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 0.00 0.00 0.00 56 D 8.30 3.79 0.00 2.56 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 0.00 0.00 0.00 57 Y 7.86 5.01 0.00 2.76 2.77 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 58 T 8.60 4.75 4.44 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 1.32 0.00 0.00 59 L 9.00 4.58 0.00 1.81 1.67 0.77 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.64 5.26 4.19 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 1.19 0.00 0.00 61 L 8.86 5.27 0.00 1.70 1.90 0.84 0.59 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 62 R 8.51 4.51 0.00 2.03 1.97 0.00 3.07 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 63 K 8.30 4.74 0.00 1.88 1.76 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.37 7.81 64 G 8.34 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 65 G 7.12 4.79 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 0.00 0.00 0.00 66 N 7.33 4.60 0.00 2.76 2.73 0.00 0.00 6.99 6.72 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 67 N 8.62 4.66 0.00 2.75 2.86 0.00 0.00 6.20 7.14 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 68 K 9.40 4.33 0.00 1.83 1.73 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 69 L 8.52 4.81 0.00 1.70 1.57 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 70 I 9.09 4.83 2.17 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 1.43 0.82 1.19 0.00 0.00 71 K 9.02 4.77 0.00 1.85 1.96 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.56 7.81 72 I 8.38 4.25 2.22 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 1.52 0.91 1.17 0.00 0.00 73 F 7.35 4.76 0.00 3.17 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 74 H 8.48 5.02 0.00 2.78 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.28 4.26 0.00 1.62 1.65 0.00 3.19 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 76 D 7.71 4.85 0.00 2.60 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 77 G 7.50 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.37 0.00 1.65 1.73 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.31 7.81 79 Y 7.83 4.76 0.00 3.15 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 80 G 9.22 4.72 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 81 F 9.50 4.42 0.00 3.07 3.13 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 82 S 8.49 4.70 0.00 4.10 4.04 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 83 D 8.10 4.89 0.00 3.02 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 84 P 0.00 4.60 0.00 2.22 2.16 0.00 4.04 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 85 L 7.85 3.73 0.00 1.77 1.63 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.01 4.64 4.33 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 1.23 0.00 0.00 87 F 8.12 4.03 0.00 3.27 3.32 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 88 N 6.89 4.45 0.00 2.97 2.90 0.00 0.00 7.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.25 4.86 0.00 3.97 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 90 V 8.52 3.56 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 0.87 0.00 0.00 -0.00 0.00 0.00 91 V 7.89 3.71 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 1.27 0.00 0.00 1.10 0.00 0.00 92 E 8.04 3.93 0.00 2.07 2.21 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 2.32 2.38 0.00 93 L 7.75 3.83 0.00 1.31 1.48 0.63 0.66 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 94 I 8.27 3.39 1.41 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 -0.29 0.00 0.00 95 N 7.85 4.17 0.00 2.95 3.03 0.00 0.00 6.77 8.01 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 96 H 8.20 3.87 0.00 3.13 2.85 0.00 5.99 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.48 4.38 0.00 3.01 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 98 R 8.15 3.84 0.00 1.89 1.93 0.00 3.53 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 99 N 7.76 4.63 0.00 2.60 2.78 0.00 0.00 6.94 7.72 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 0.00 100 E 7.80 4.23 0.00 2.06 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 0.00 2.20 2.29 0.00 101 S 8.78 5.04 0.00 3.90 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 0.00 102 L 7.70 4.02 0.00 1.47 1.24 0.47 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.22 4.65 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 0.00 104 Q 8.00 4.30 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.25 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 105 Y 7.77 3.57 0.00 2.84 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 0.00 106 N 8.33 4.69 0.00 2.77 2.80 0.00 0.00 6.97 8.07 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 0.00 107 P 0.00 4.45 0.00 2.22 2.23 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 108 K 8.78 3.85 0.00 1.92 1.96 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.41 7.81 109 L 8.12 4.46 0.00 1.65 1.64 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.11 4.68 0.00 2.67 2.65 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 0.00 111 V 8.23 4.55 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 1.01 0.00 0.00 0.97 0.00 0.00 112 K 8.51 4.53 0.00 1.68 1.68 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 113 L 7.92 4.43 0.00 0.80 1.23 0.27 0.29 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 0.00 114 L 7.27 4.46 0.00 0.93 1.14 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.84 4.92 0.00 3.38 2.97 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 0.00 116 P 0.00 4.42 0.00 2.08 1.52 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 117 V 7.51 4.59 2.40 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 0.81 0.00 0.00 1.11 0.00 0.00 118 S 7.65 3.76 0.00 3.81 3.64 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 0.00 119 K 8.28 4.38 0.00 1.46 1.52 0.00 1.59 0.00 0.00 1.32 0.00 0.00 2.57 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.54 0.92 7.81 120 Y 8.18 3.88 0.00 2.78 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