NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.5851 8.4449 120.3767 56.2127 31.0254 172.3374 1C H 4.7824 8.2351 123.2891 54.2471 30.6599 173.0575 1D H 4.7610 9.4225 119.2135 56.2532 30.7647 173.8493 1E H 5.1140 7.7479 114.9370 53.5731 32.5702 172.1096 1F H 4.7113 8.8596 116.7209 55.7124 29.1875 174.4705 1 F 4.7715 8.4394 119.5195 57.7969 39.8516 174.3520 2 N 4.6488 8.4342 117.4670 52.2778 38.7747 174.4496 3 L 4.8461 8.0685 123.2340 51.8846 44.5799 174.7052 4 P 4.5185 0.0000 0.0000 61.2354 32.3388 174.3709 5 P 4.3425 0.0000 0.0000 62.1738 31.7831 176.2766 6 G 3.5788 8.3117 107.9114 46.6104 0.0000 173.9737 7 N 4.7237 7.3434 123.0683 53.2456 39.0833 174.1177 8 Y 4.7571 7.6227 112.6314 57.4890 38.7641 177.1222 9 K 4.0918 8.1967 120.1136 58.8003 32.3259 176.9798 10 K 4.6624 7.5465 115.7645 53.7467 35.0684 173.8678 11 P 4.7065 0.0000 0.0000 62.7505 32.0412 175.1547 12 K 4.9570 9.1792 120.2715 54.8272 37.2508 174.6470 13 L 4.9655 8.7781 120.3466 53.1297 44.8165 176.3770 14 L 4.7864 8.7169 124.0526 54.1357 42.6304 174.6717 15 Y 4.9552 9.1366 126.7637 56.2482 40.9066 173.6912 16 C 3.7817 8.2559 128.2700 57.4755 32.3549 174.6686 17 S 3.7553 7.8319 121.6910 60.8918 62.6535 174.8070 18 N 3.8864 7.3393 118.1017 56.2218 38.6383 174.9262 19 G 3.9323 7.5229 104.0358 44.4599 0.0000 172.6570 20 G 3.5938 7.2946 106.6197 44.7035 0.0000 173.6977 21 H 4.8307 7.4835 114.8658 53.8418 31.9793 173.9009 22 F 5.4061 8.8623 119.2334 55.5770 41.2647 175.3102 23 L 4.2831 9.1488 126.6058 55.2887 43.0976 175.5758 24 R 4.8287 9.1869 126.4573 54.6611 33.5786 174.2756 25 I 4.7467 8.0049 126.5993 59.0837 38.4653 175.6102 26 L 4.0176 9.0077 127.8441 53.6461 42.2859 176.9674 27 P 4.2067 0.0000 0.0000 65.9273 31.2563 177.3739 28 D 4.5026 7.9533 114.2031 53.8070 39.5730 176.9458 29 G 4.2219 8.5131 109.5961 45.3597 0.0000 173.7758 30 T 4.3381 8.5066 117.9076 63.1063 69.1572 173.7169 31 V 4.8903 7.9241 124.7392 61.2441 34.2520 174.3557 32 D 4.5586 8.4542 124.5293 53.1531 42.7681 174.1841 33 G 4.5952 8.7557 105.4499 45.2967 0.0000 172.9150 34 T 4.8519 8.2363 113.0927 61.2519 70.5120 174.2171 35 R 4.3450 8.8310 125.8568 56.7115 30.9564 176.7148 36 D 4.6270 8.0150 118.8769 53.1531 39.5756 176.4216 37 R 3.3990 8.5351 125.6981 57.5964 30.2462 177.0540 38 S 4.4430 7.9756 110.7458 58.6121 63.9011 173.9469 39 D 4.3892 7.9809 123.3902 54.4920 41.2451 176.5812 40 Q 4.2372 8.6585 123.3973 57.7991 29.0289 175.9931 41 H 4.7898 9.3527 116.4108 55.7324 29.3770 175.5290 42 I 4.3568 7.1426 111.1481 60.7199 38.3194 175.5754 43 Q 4.0754 7.8820 123.8177 56.3021 29.7180 174.7285 44 L 5.1058 8.9638 126.4810 52.9084 46.0863 175.5803 45 Q 4.6714 9.0763 121.1124 54.5205 31.6954 174.2998 46 L 5.5231 8.9658 126.6002 53.8142 43.2945 176.6122 47 S 4.4869 8.2533 114.8128 56.5492 66.7357 172.7133 48 A 4.3863 8.0718 125.9702 51.4041 19.0776 176.1701 49 E 4.1785 8.2922 125.2045 57.5529 30.5390 176.0732 50 S 4.7545 7.2985 113.2614 55.7629 66.5648 173.6134 51 V 3.6991 8.4106 121.7826 65.4444 31.3449 176.3576 52 G 3.9374 9.2786 116.1460 44.8353 0.0000 171.8063 53 E 5.0341 8.7087 120.6436 55.0683 31.6723 175.7289 54 V 4.9302 9.0098 116.2969 59.9709 36.9752 173.7006 55 Y 5.4471 8.8081 119.0318 56.4978 41.3667 175.2184 56 I 4.5399 8.6710 124.0045 59.6787 39.5445 174.2435 57 K 4.7093 8.3941 128.6744 54.2513 35.4618 174.8773 58 S 4.7325 8.6389 121.7586 57.7434 62.6790 174.9680 59 T 4.0311 8.2683 118.9512 64.8123 68.7546 176.0040 60 E 4.0180 8.3768 122.4822 58.8411 29.8523 177.2386 61 T 4.2544 7.8624 106.2252 61.0119 69.9734 175.7354 62 G 3.8416 8.4915 109.9369 45.3448 0.0000 173.5440 63 Q 4.5126 7.6490 118.6220 55.8656 30.5038 174.4468 64 Y 4.7395 8.9851 119.8694 56.1173 40.3333 175.2115 65 L 4.4798 9.0380 126.8754 55.4024 43.4248 175.5365 66 A 5.2621 8.6527 125.8568 50.8859 23.1840 174.4134 67 M 5.4304 8.6815 119.9528 53.8250 34.7129 175.7210 68 D 5.2920 9.5936 126.8092 52.4680 41.0151 177.2408 69 T 4.0755 8.5127 108.7034 64.5472 68.6108 174.6591 70 D 4.5928 8.3973 119.8670 54.3770 41.3197 176.9032 71 G 3.4311 8.7607 108.6600 45.0069 0.0000 172.5114 72 L 4.8048 8.5772 120.4215 53.1358 43.3358 176.2878 73 L 5.0823 8.5995 123.5845 55.1733 42.9802 175.3563 74 Y 4.8654 8.9234 119.5354 56.5377 42.1218 173.0896 75 G 4.3263 8.9559 107.8224 44.7450 0.0000 173.2238 76 S 5.0501 9.0416 121.4431 56.9972 63.9685 175.2476 77 Q 4.4215 8.9385 124.8766 57.8637 29.0783 176.3807 78 T 4.5769 7.2615 105.8263 58.4658 71.5964 171.8127 79 P 3.5142 0.0000 0.0000 62.2862 32.0841 175.1712 80 N 4.9988 8.0708 118.3943 50.9859 40.4184 174.2717 81 E 4.1472 8.7547 114.5392 58.1069 29.7381 177.0401 82 E 4.3526 8.8256 119.5820 57.0128 30.1566 177.0194 83 C 5.1610 7.8210 115.2856 59.7567 29.1721 173.7142 84 L 4.5172 7.6071 120.9524 54.2378 42.6883 175.8507 85 F 5.1865 8.9818 121.5419 55.5924 43.3592 174.2660 86 L 4.7955 9.2276 123.6382 53.8317 42.5396 175.7108 87 E 4.2166 8.8900 127.1997 55.4053 29.9692 175.8419 88 R 4.6957 8.8779 125.9839 54.0079 34.6182 174.5299 89 L 4.7873 8.6323 124.1502 54.8239 43.0748 175.7150 90 E 4.6601 8.8978 126.3834 55.0560 33.4031 175.3343 91 E 4.0003 9.6889 123.4571 57.4307 27.2895 176.2684 92 N 4.7069 8.6039 119.3933 53.8302 37.4656 174.7899 93 H 4.8698 8.0467 110.9557 55.3315 30.5750 172.8636 94 Y 4.8934 8.0863 118.0481 56.7708 40.7533 174.0261 95 N 5.6387 9.5440 118.2025 51.9001 41.9616 174.2655 96 T 5.4106 9.1466 111.7631 59.0585 73.0196 172.4210 97 Y 4.9919 8.8248 119.8624 56.5700 41.3608 174.2186 98 I 4.6676 8.7224 126.1961 59.1140 39.7361 175.4417 99 S 3.8537 8.9410 122.5592 58.4531 62.3656 174.0547 100 K 3.9661 8.5231 129.2131 59.3743 32.2936 178.6164 101 K 3.7130 7.9174 118.1993 59.1447 32.2372 176.6561 102 H 4.5283 8.2704 115.2527 54.9110 29.4444 176.1593 103 A 3.9547 7.8583 125.8755 55.4128 18.3228 180.7590 104 E 3.7326 7.8424 115.1189 58.8417 29.7850 177.5257 105 K 4.0577 7.5493 115.7413 56.0737 32.8461 176.0013 106 N 4.0161 7.4211 115.2284 53.9434 36.1569 174.6205 107 W 5.1679 7.6449 117.9949 55.8175 31.2484 177.7958 108 F 5.3784 9.5133 123.9512 55.6527 41.7977 175.1239 109 V 4.2147 8.9427 120.5285 62.2253 32.5525 175.0601 110 G 4.9858 8.6809 113.4900 44.6465 0.0000 171.0443 111 L 5.2740 8.3040 121.7206 52.5347 44.5089 176.9335 112 K 4.2454 8.9209 123.3529 55.2618 33.0115 178.2423 113 K 4.0145 8.4783 119.8366 59.2864 31.9458 177.7406 114 N 4.5977 8.0919 114.2311 52.3972 37.6590 175.8707 115 G 3.4739 8.2840 107.8139 45.7002 0.0000 173.5290 116 S 4.7472 8.1597 115.1163 56.5533 64.4750 173.8157 117 V 4.1226 8.1084 123.0617 63.0759 31.9396 175.1078 118 K 4.4000 8.7606 129.2658 55.4076 33.6173 175.9128 119 R 4.0477 8.6225 126.5342 56.1106 31.1043 177.1199 120 G 3.2170 8.5507 115.7083 48.2302 0.0000 174.0824 121 P 4.1581 0.0000 0.0000 64.1945 31.4616 177.5366 122 R 4.3248 8.0858 115.7941 56.2495 30.4123 176.1502 123 T 5.2102 7.5755 108.3938 59.6978 70.6740 173.1849 124 H 4.6389 7.8231 115.4089 55.0431 30.3995 173.1501 125 Y 3.9579 8.6889 118.3098 59.9962 38.0373 177.3070 126 G 4.0229 9.0887 111.6091 45.3079 0.0000 173.6395 127 Q 4.2918 7.3866 117.8311 55.1050 29.9822 176.5263 128 K 4.0737 8.1322 117.1328 56.8154 33.0976 178.7806 129 A 4.0056 7.5883 122.3716 54.1581 18.8334 178.6258 130 I 4.5171 7.2925 107.0072 60.4280 38.3637 174.7569 131 L 4.5465 7.0718 121.7320 53.8797 42.5513 175.7252 132 F 5.3682 9.4783 122.9722 55.5683 43.3027 174.6087 133 L 5.0994 9.0659 121.5376 53.9292 45.3842 174.9049 134 C 5.0228 9.1429 124.7055 59.8191 28.4106 173.1102 135 L 4.7868 9.0034 124.8837 52.3829 44.0249 174.7917 136 P 4.6205 0.0000 0.0000 62.3134 32.3445 176.9164 137 V 3.7035 8.1886 121.0762 63.2479 31.5196 175.8414 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 1B H 8.44 4.59 0.00 3.09 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.24 4.78 0.00 3.13 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.42 4.76 0.00 3.14 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.75 5.11 0.00 3.15 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.86 4.71 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 8.44 4.77 0.00 2.92 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 2 N 8.43 4.65 0.00 2.95 2.79 0.00 0.00 6.81 6.74 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 3 L 8.07 4.85 0.00 1.43 1.38 0.35 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.15 2.15 0.00 3.69 0.00 0.00 3.65 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 5 P 0.00 4.34 0.00 2.15 2.07 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 6 G 8.31 3.58 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 0.00 0.00 0.00 7 N 7.34 4.72 0.00 2.59 2.56 0.00 0.00 7.10 7.54 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 8 Y 7.62 4.76 0.00 3.07 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 9 K 8.20 4.09 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.40 7.81 10 K 7.55 4.66 0.00 1.84 1.78 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.40 7.81 11 P 0.00 4.71 0.00 2.08 2.09 0.00 3.31 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.83 0.00 12 K 9.18 4.96 0.00 1.66 1.76 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.58 7.81 13 L 8.78 4.97 0.00 1.69 1.71 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.72 4.79 0.00 1.52 1.56 0.65 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.14 4.96 0.00 3.25 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 16 C 8.26 3.78 0.00 2.21 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 0.00 0.00 0.00 0.00 17 S 7.83 3.76 0.00 3.91 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 18 N 7.34 3.89 0.00 2.57 2.61 0.00 0.00 6.73 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 19 G 7.52 3.93 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 0.00 0.00 0.00 20 G 7.29 3.59 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 0.00 21 H 7.48 4.83 0.00 3.01 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.86 5.41 0.00 3.12 2.98 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 23 L 9.15 4.28 0.00 1.76 1.50 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.19 4.83 0.00 1.95 2.01 0.00 3.12 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 25 I 8.00 4.75 1.85 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 1.18 0.75 0.90 0.00 0.00 26 L 9.01 4.02 0.00 1.77 1.52 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.21 0.00 2.01 2.13 0.00 3.55 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 28 D 7.95 4.50 0.00 2.77 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 29 G 8.51 4.22 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 0.00 30 T 8.51 4.34 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 1.22 0.00 0.00 31 V 7.92 4.89 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 0.90 0.00 0.00 0.94 0.00 0.00 32 D 8.45 4.56 0.00 2.72 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 33 G 8.76 4.60 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 34 T 8.24 4.85 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 1.37 0.00 0.00 35 R 8.83 4.35 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.05 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 36 D 8.01 4.63 0.00 2.85 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 37 R 8.54 3.40 0.00 1.87 1.90 0.00 3.40 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.00 38 S 7.98 4.44 0.00 4.00 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 39 D 7.98 4.39 0.00 2.83 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 40 Q 8.66 4.24 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.25 1.98 0.00 41 H 9.35 4.79 0.00 3.37 3.46 0.00 5.80 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 42 I 7.14 4.36 1.91 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.27 1.00 0.00 0.00 43 Q 7.88 4.08 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 44 L 8.96 5.11 0.00 1.53 1.51 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.08 4.67 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 46 L 8.97 5.52 0.00 1.87 1.76 0.90 1.19 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 47 S 8.25 4.49 0.00 3.83 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 48 A 8.07 4.39 1.05 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 0.00 0.00 49 E 8.29 4.18 0.00 1.52 1.71 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 2.08 2.22 0.00 50 S 7.30 4.75 0.00 4.04 3.70 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 0.00 0.00 0.00 0.00 51 V 8.41 3.70 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 0.97 0.00 0.00 1.02 0.00 0.00 52 G 9.28 3.94 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 0.00 53 E 8.71 5.03 0.00 2.06 1.74 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 2.21 2.27 0.00 54 V 9.01 4.93 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 0.87 0.00 0.00 1.33 0.00 0.00 55 Y 8.81 5.45 0.00 2.91 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 56 I 8.67 4.54 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.29 0.70 0.00 0.00 57 K 8.39 4.71 0.00 1.40 1.36 0.00 1.13 0.00 0.00 0.90 0.00 0.00 2.64 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.97 0.39 7.81 58 S 8.64 4.73 0.00 3.88 3.75 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 59 T 8.27 4.03 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 1.17 0.00 0.00 60 E 8.38 4.02 0.00 1.95 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 2.15 2.31 0.00 61 T 7.86 4.25 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 1.28 0.00 0.00 62 G 8.49 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 63 Q 7.65 4.51 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.74 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 64 Y 8.99 4.74 0.00 2.77 2.79 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 65 L 9.04 4.48 0.00 1.58 1.45 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.65 5.26 0.61 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 0.00 0.00 67 M 8.68 5.43 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 68 D 9.59 5.29 0.00 2.95 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 69 T 8.51 4.08 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 1.32 0.00 0.00 70 D 8.40 4.59 0.00 2.83 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 71 G 8.76 3.43 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 0.00 72 L 8.58 4.80 0.00 2.03 1.64 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.60 5.08 0.00 1.58 1.62 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.92 4.87 0.00 3.00 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 75 G 8.96 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 0.00 0.00 0.00 0.00 76 S 9.04 5.05 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 77 Q 8.94 4.42 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 78 T 7.26 4.58 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 1.18 0.00 0.00 79 P 0.00 3.51 0.00 1.64 0.49 0.00 3.41 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 80 N 8.07 5.00 0.00 2.90 2.91 0.00 0.00 6.02 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 81 E 8.75 4.15 0.00 2.05 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 2.26 2.30 0.00 82 E 8.83 4.35 0.00 2.33 2.31 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 2.33 2.32 0.00 83 C 7.82 5.16 0.00 3.27 3.25 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 84 L 7.61 4.52 0.00 1.45 1.42 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.98 5.19 0.00 3.13 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 86 L 9.23 4.80 0.00 1.49 1.57 0.89 0.96 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 87 E 8.89 4.22 0.00 2.02 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 2.13 1.67 0.00 88 R 8.88 4.70 0.00 1.73 1.82 0.00 3.04 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 89 L 8.63 4.79 0.00 1.77 1.65 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.90 4.66 0.00 2.26 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 2.28 2.42 0.00 91 E 9.69 4.00 0.00 2.47 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 0.00 2.36 2.39 0.00 92 N 8.60 4.71 0.00 2.76 2.91 0.00 0.00 6.89 8.16 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 93 H 8.05 4.87 0.00 2.88 3.00 0.00 5.66 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 94 Y 8.09 4.89 0.00 3.31 2.89 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 95 N 9.54 5.64 0.00 3.12 2.81 0.00 0.00 6.92 6.59 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 96 T 9.15 5.41 4.61 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 1.41 0.00 0.00 97 Y 8.82 4.99 0.00 2.80 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 98 I 8.72 4.67 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.70 0.49 0.00 0.00 99 S 8.94 3.85 0.00 4.01 4.09 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 0.00 100 K 8.52 3.97 0.00 1.71 1.66 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.31 7.81 101 K 7.92 3.71 0.00 1.77 1.59 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.02 1.30 7.81 102 H 8.27 4.53 0.00 2.90 2.07 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.86 3.95 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 0.00 104 E 7.84 3.73 0.00 1.54 1.77 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 2.15 2.04 0.00 105 K 7.55 4.06 0.00 0.96 1.58 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.00 7.81 106 N 7.42 4.02 0.00 3.07 3.16 0.00 0.00 6.89 8.30 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 0.00 107 W 7.64 5.17 0.00 3.31 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 0.00 108 F 9.51 5.38 0.00 2.81 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 0.00 109 V 8.94 4.21 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 0.57 0.00 0.00 0.62 0.00 0.00 110 G 8.68 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.30 5.27 0.00 1.36 1.45 1.02 0.94 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 0.00 112 K 8.92 4.25 0.00 1.90 1.66 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.46 7.81 113 K 8.48 4.01 0.00 1.70 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.37 7.81 114 N 8.09 4.60 0.00 2.78 2.88 0.00 0.00 6.09 7.00 0.00 0.00 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 G 8.28 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.16 4.75 0.00 3.97 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 0.00 117 V 8.11 4.12 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 0.81 0.00 0.00 0.99 0.00 0.00 118 K 8.76 4.40 0.00 1.89 1.65 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.32 7.81 119 R 8.62 4.05 0.00 1.83 1.61 0.00 3.27 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 120 G 8.55 3.22 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 0.00 121 P 0.00 4.16 0.00 1.89 2.17 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 122 R 8.09 4.32 0.00 1.80 1.91 0.00 3.26 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 123 T 7.58 5.21 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 1.33 0.00 0.00 124 H 7.82 4.64 0.00 3.43 3.52 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.69 3.96 0.00 3.13 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 0.00 126 G 9.09 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 0.00 127 Q 7.39 4.29 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.64 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 128 K 8.13 4.07 0.00 1.78 1.63 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.32 7.81 129 A 7.59 4.01 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 0.00 130 I 7.29 4.52 1.67 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.53 0.53 0.00 0.00 131 L 7.07 4.55 0.00 1.02 0.65 0.55 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.48 5.37 0.00 3.34 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 0.00 133 L 9.07 5.10 0.00 2.11 1.78 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 134 C 9.14 5.02 0.00 2.98 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 0.00 135 L 9.00 4.79 0.00 1.71 1.62 0.92 0.85 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 0.00 136 P 0.00 4.62 0.00 1.93 1.97 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 137 V 8.19 3.70 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 0.72 0.00 0.00 0.94 0.00 0.00