NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0865 8.0549 120.3925 62.6550 32.6626 174.8613 2 L 4.2842 8.2938 126.9181 51.8768 43.0900 175.5588 3 S 4.5673 8.8898 117.3604 57.5830 66.4752 174.7640 4 E 4.2745 8.8366 122.7582 59.5662 29.0834 179.1344 5 G 3.6716 8.1144 105.2764 47.8811 0.0000 175.4006 6 E 3.9403 7.8963 120.9352 58.9304 29.3688 179.4221 7 W 4.3565 8.1056 119.0666 59.8718 29.0963 178.5267 8 Q 4.1127 8.4650 118.1173 59.0548 27.6310 178.9571 9 L 4.0907 7.7937 119.8879 57.5887 41.6725 179.7620 10 V 3.7403 7.7946 117.7678 66.2263 31.7629 178.2229 11 L 4.3082 8.4613 118.5435 57.4790 41.1753 179.0557 12 H 4.2853 8.1330 118.3795 59.2737 30.3090 177.3731 13 V 3.7354 7.7184 120.1908 64.2771 31.4215 178.1573 14 W 3.9719 8.4193 128.8835 60.0822 30.2694 177.7636 15 A 4.0339 7.8198 119.8337 54.9304 18.0051 179.4606 16 K 3.9609 7.6754 116.7856 59.3931 32.1344 179.6566 17 V 2.9510 7.1154 118.0178 65.7063 31.1161 177.3910 18 E 3.9256 7.5204 115.9578 57.9813 29.2935 178.4354 19 A 4.2234 7.5078 120.6428 53.6946 19.9957 177.7001 20 D 4.7088 7.8331 116.7615 52.0265 42.8738 175.6934 21 V 3.5097 7.9512 124.0601 64.3904 31.8420 178.2491 22 A 4.0700 8.0260 121.2687 54.7202 18.4179 179.6589 23 G 3.7897 8.1780 105.5240 47.8814 0.0000 175.7054 24 H 4.2138 8.2556 118.7933 58.1990 28.6889 178.1033 25 G 3.7271 8.3210 107.7859 47.9168 0.0000 175.6708 26 Q 4.0073 8.0585 120.6613 58.8741 28.8287 178.5975 27 D 4.3521 7.8586 119.2558 57.4655 40.8200 179.1774 28 I 3.5353 7.6347 120.0315 64.3005 37.1468 178.6911 29 W 3.6171 7.8913 119.4989 59.3585 28.7269 178.8421 30 I 3.7790 7.7895 120.1229 64.1958 36.5177 178.3287 31 R 3.7872 7.9388 119.6355 59.1372 29.8218 178.3691 32 L 3.8036 7.6098 120.0234 58.3448 41.6680 179.0680 33 F 4.7023 7.9426 117.6115 60.4999 38.5272 177.8875 34 K 4.1044 7.9223 117.6636 59.3863 32.0277 179.1886 35 S 4.3221 7.8722 114.4144 60.1000 64.3297 174.4668 36 H 4.7920 8.3804 118.6174 51.7667 29.4825 171.6035 37 P 4.5083 0.0000 0.0000 64.7614 31.2333 177.5110 38 E 4.1478 8.2879 115.9154 59.4633 29.5205 179.1448 39 T 3.9416 8.1877 110.9551 64.4403 68.8823 176.3578 40 L 3.8247 8.0936 123.1872 57.8380 41.7879 178.5515 41 E 4.1836 7.8903 117.4115 58.6035 29.4376 178.6057 42 K 4.4819 8.1168 116.8420 56.8069 32.8290 177.3525 43 F 4.5717 8.1259 119.0939 55.5233 39.5057 175.8922 44 D 4.4560 8.4725 124.2018 56.5083 40.9785 178.1239 45 R 3.9266 7.6802 117.9922 57.5989 30.4615 176.3916 46 F 5.0763 7.6088 113.7120 56.6170 40.7074 176.4611 47 K 4.0580 8.2081 120.5210 59.0900 32.2603 177.4748 48 H 4.5148 8.1159 114.0017 56.7357 29.2690 175.6229 49 L 4.0686 7.4640 121.4730 55.0493 41.6835 176.8476 50 K 4.3210 9.5302 123.5440 57.2492 33.5538 176.9444 51 T 4.7349 7.4371 107.4857 58.9493 73.1350 174.2910 52 E 3.9330 8.6310 120.8758 59.2071 29.4633 178.5315 53 A 3.9685 7.9381 120.4465 55.3358 18.3047 179.3432 54 E 3.9421 7.8863 115.6062 59.6523 29.8670 179.2677 55 M 4.1535 8.0162 118.8484 58.3067 31.8602 178.7707 56 K 3.9848 8.1747 118.3359 58.7755 32.4336 177.7874 57 A 4.5069 7.4881 118.9069 51.4211 19.1891 176.9390 58 S 4.2390 7.4508 113.4730 57.4443 62.7686 174.4016 59 E 3.9791 8.8866 129.3448 59.4686 29.4690 178.2625 60 D 4.4669 8.1128 118.6155 57.2687 40.9751 178.3247 61 L 3.3582 7.8090 120.5138 57.5313 41.8340 178.9125 62 K 3.8746 7.7804 119.6018 59.4422 32.2006 178.9008 63 K 3.9885 8.0725 118.7590 59.8626 31.9939 178.8569 64 H 4.3707 8.4128 118.6388 59.0745 29.7553 177.5213 65 G 3.8044 8.0491 107.7965 47.7461 0.0000 175.8921 66 V 3.6745 7.6510 120.6724 66.1009 31.7083 178.2344 67 T 3.9252 7.7926 115.0565 66.6166 68.2866 176.7883 68 V 3.7212 7.9801 120.0125 66.2291 31.6183 178.2014 69 L 4.2931 8.2346 118.6562 58.0057 41.5345 179.7014 70 T 3.9835 8.2416 115.7956 66.5581 67.9843 176.6381 71 A 4.0533 8.0268 122.4151 55.0480 18.4266 179.4965 72 L 3.8073 8.1406 119.1457 58.0360 42.1339 179.3731 73 G 3.4142 8.4947 105.8001 47.6664 0.0000 175.5339 74 A 4.0219 7.6847 121.8106 54.8265 18.6276 179.6313 75 I 3.7867 7.3485 117.8452 64.5990 37.2332 178.6091 76 L 3.9589 7.6258 119.7358 57.7058 41.1795 179.5656 77 K 4.0320 7.6219 116.7064 58.2816 32.3856 178.7120 78 K 3.9769 7.8303 118.4781 56.0552 32.3802 176.7289 79 K 2.0000 8.3013 118.0100 56.4832 29.8737 175.8099 80 G 3.9624 8.0894 106.5456 45.7434 0.0000 174.3059 81 H 4.7149 7.2674 118.6424 55.4496 27.6503 175.4131 82 H 5.3054 7.2043 113.1602 54.7269 29.4464 175.8231 83 E 3.9678 8.3941 122.7159 60.4787 29.0762 179.0524 84 A 4.1345 7.9422 118.3575 55.2617 18.5541 179.0765 85 E 4.1187 8.1688 116.6420 59.3513 29.5611 179.2195 86 L 4.1712 8.0626 118.9922 57.0803 41.6760 179.3298 87 K 3.9533 7.7326 117.7451 59.1736 32.1415 177.5142 88 P 4.3447 0.0000 0.0000 65.6337 31.3140 178.1808 89 L 4.0446 7.5215 119.6239 57.9431 42.1672 178.7719 90 A 4.2203 8.4479 121.1950 55.1476 18.3587 179.3996 91 Q 3.8896 8.2216 118.3461 59.3699 29.1771 178.6642 92 S 4.0432 8.0400 115.2189 61.8828 63.0674 176.0650 93 H 4.2666 8.5540 119.1408 57.5502 28.2463 177.2322 94 A 3.1802 7.4962 121.4827 53.8463 19.1014 178.8202 95 T 3.9193 7.4652 112.6526 64.9112 69.1523 176.1148 96 K 4.0878 7.4362 119.8128 58.7378 32.9088 177.2356 97 H 4.2687 7.8026 114.2097 56.2488 29.4560 175.5764 98 K 3.1817 7.5205 117.1772 57.0553 28.6824 175.3540 99 I 4.3428 8.1376 118.9542 58.7107 38.5583 175.0310 100 P 4.6222 0.0000 0.0000 62.2881 32.1603 177.3230 101 I 3.6041 8.5091 120.8796 64.6731 36.9795 178.3693 102 K 3.6526 7.9557 119.7816 59.8141 32.0232 178.1782 103 Y 4.2375 8.0693 116.6425 60.6212 37.7117 177.9832 104 L 4.2417 7.9594 120.1733 57.3687 41.7996 179.2297 105 E 4.0112 7.8667 118.5190 59.3505 29.6465 179.0080 106 F 4.5398 7.7798 117.7042 60.7310 38.9687 177.5400 107 I 3.7360 7.9297 117.7397 63.7184 37.7791 178.1162 108 S 4.1630 7.9786 116.2026 61.3897 62.5984 176.1357 109 E 3.9722 8.2702 121.6551 59.2486 29.4138 178.7614 110 A 3.9736 7.8539 120.4782 55.0605 18.3634 179.7273 111 I 3.6019 7.8519 118.3749 64.6672 37.2102 178.7782 112 I 3.8187 7.7642 120.5568 64.5148 36.9679 178.0407 113 H 4.1354 8.3030 119.2845 59.2608 29.7029 177.5932 114 V 3.5850 7.8024 120.1191 65.9278 31.3021 178.0689 115 L 3.8043 7.7513 118.8770 57.7794 41.0530 178.9326 116 H 4.3261 7.8148 117.5575 59.3114 29.8660 177.3037 117 S 4.1830 7.7455 116.0766 61.3726 62.8186 176.2510 118 R 4.1455 7.8221 118.8523 57.1698 31.2651 176.3189 119 H 5.0309 8.1972 115.9857 53.7404 29.5827 172.9954 120 P 4.2996 0.0000 0.0000 65.9502 31.5059 179.2011 121 G 3.6296 8.1393 106.4118 47.4618 0.0000 173.6727 122 N 5.0248 8.1774 115.3294 52.9238 39.6232 174.9559 123 F 4.8981 7.8036 118.6674 56.1979 39.4324 173.9959 124 G 3.9302 7.5542 109.7658 43.5948 0.0000 171.5781 125 A 3.8825 8.4184 120.6639 55.5347 18.2769 179.6856 126 D 4.2238 7.9698 116.4674 57.4075 40.9586 178.7715 127 A 3.9257 7.7277 120.8627 55.0494 18.3750 179.3176 128 Q 3.1966 7.8340 118.4659 58.8483 29.0033 178.6628 129 G 3.4690 8.0130 106.6700 47.6168 0.0000 175.6171 130 A 3.8637 7.8383 123.1039 55.0557 18.4040 179.4570 131 M 4.0217 8.1338 116.8197 58.6933 32.2597 177.9664 132 N 4.3296 8.4221 117.5606 56.4710 39.1043 176.7690 133 K 3.8235 7.9951 120.8695 59.4345 32.3447 178.6934 134 A 3.8606 7.8923 121.0398 55.1107 18.2970 179.6269 135 L 4.1331 8.1191 117.4467 57.7211 41.6405 179.5223 136 E 4.0313 8.5258 119.1513 59.0190 29.3726 179.0018 137 L 3.9410 7.9893 120.5562 58.0139 42.2232 178.5959 138 F 4.1805 8.1816 120.3882 61.7004 39.3097 177.3633 139 R 3.5030 8.1031 117.4184 58.8271 29.8982 179.0492 140 K 3.8413 8.1611 119.5870 59.6709 32.3572 178.7258 141 D 4.3665 8.1306 119.1335 57.2454 40.6310 178.8600 142 I 3.5350 7.5265 120.2787 63.9844 37.0786 178.2808 143 A 3.6460 7.8619 121.5501 55.0127 18.2250 179.5595 144 A 3.9578 7.8283 119.0284 55.1045 18.4097 179.8362 145 K 3.9802 7.9220 117.9512 59.7356 32.2974 178.5471 146 Y 4.3516 8.3909 117.4248 61.1298 37.9418 178.7591 147 K 3.9827 8.1088 120.0119 59.7100 32.1557 178.7778 148 E 4.0478 7.8889 116.9972 59.1571 29.4353 178.7178 149 L 4.3247 7.8135 117.2828 55.4094 41.9272 177.8147 150 G 3.9769 7.9536 106.8774 45.0855 0.0000 172.2056 151 Y 4.7518 7.6370 120.1631 55.1464 40.7048 175.4055 152 Q 3.7910 8.4516 128.6598 57.9906 29.5135 176.0301 153 G 3.8409 6.1324 109.5244 45.6732 0.0000 172.9117 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 4.09 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.28 0.00 1.05 0.82 0.61 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.89 4.57 0.00 4.04 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 4 E 8.84 4.27 0.00 2.19 2.06 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 2.43 2.52 0.00 5 G 8.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.90 3.94 0.00 1.82 1.73 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 2.22 2.25 0.00 7 W 8.11 4.36 0.00 3.58 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 8 Q 8.46 4.11 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 9 L 7.79 4.09 0.00 1.83 1.74 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.79 3.74 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.95 0.00 0.00 11 L 8.46 4.31 0.00 1.82 1.82 0.95 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.13 4.29 0.00 3.31 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.72 3.74 2.39 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 1.03 0.00 0.00 0.88 0.00 0.00 14 W 8.42 3.97 0.00 3.66 3.18 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 15 A 7.82 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 3.96 0.00 1.60 1.67 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 17 V 7.12 2.95 0.99 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 0.08 0.00 0.00 0.46 0.00 0.00 18 E 7.52 3.93 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 19 A 7.51 4.22 1.29 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 0.00 0.00 20 D 7.83 4.71 0.00 2.72 2.52 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 0.00 21 V 7.95 3.51 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 0.73 0.00 0.00 0.94 0.00 0.00 22 A 8.03 4.07 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 23 G 8.18 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 0.00 0.00 0.00 24 H 8.26 4.21 0.00 3.16 3.26 0.00 5.83 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 25 G 8.32 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 26 Q 8.06 4.01 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 27 D 7.86 4.35 0.00 2.64 2.66 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 28 I 7.63 3.54 1.88 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 1.40 0.55 0.44 0.00 0.00 29 W 7.89 3.62 0.00 3.19 2.66 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 30 I 7.79 3.78 1.92 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 1.44 0.81 0.91 0.00 0.00 31 R 7.94 3.79 0.00 1.92 2.00 0.00 2.99 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 32 L 7.61 3.80 0.00 1.49 1.36 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.94 4.70 0.00 3.13 2.94 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 34 K 7.92 4.10 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.58 1.62 7.81 35 S 7.87 4.32 0.00 3.71 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 36 H 8.38 4.79 0.00 3.02 2.87 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.51 0.00 2.17 2.14 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 38 E 8.29 4.15 0.00 2.32 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 2.33 2.53 0.00 39 T 8.19 3.94 4.56 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 0.00 0.00 0.00 0.86 0.00 0.00 40 L 8.09 3.82 0.00 1.45 1.78 0.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.89 4.18 0.00 2.20 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 0.00 2.42 2.57 0.00 42 K 8.12 4.48 0.00 1.84 1.80 0.00 1.84 0.00 0.00 1.98 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.95 2.01 7.81 43 F 8.13 4.57 0.00 3.18 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 44 D 8.47 4.46 0.00 2.60 2.70 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 45 R 7.68 3.93 0.00 1.43 1.14 0.00 2.99 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.29 0.00 46 F 7.61 5.08 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.21 4.06 0.00 1.90 2.12 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.42 7.81 48 H 8.12 4.51 0.00 3.30 3.45 0.00 5.53 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 49 L 7.46 4.07 0.00 1.54 1.58 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.53 4.32 0.00 1.75 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.52 7.81 51 T 7.44 4.73 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 52 E 8.63 3.93 0.00 2.06 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 2.37 2.38 0.00 53 A 7.94 3.97 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 54 E 7.89 3.94 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 55 M 8.02 4.15 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 56 K 8.17 3.98 0.00 1.89 1.83 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 57 A 7.49 4.51 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 58 S 7.45 4.24 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.89 3.98 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 60 D 8.11 4.47 0.00 2.92 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 61 L 7.81 3.36 0.00 1.13 1.55 -0.15 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.87 0.00 1.79 1.99 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.07 3.99 0.00 2.08 1.89 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.75 7.81 64 H 8.41 4.37 0.00 3.38 3.28 0.00 5.79 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 65 G 8.05 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.67 2.28 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 1.06 0.00 0.00 0.99 0.00 0.00 67 T 7.79 3.93 4.41 0.00 0.00 0.00 0.00 0.00 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 68 V 7.98 3.72 2.56 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 1.32 0.00 0.00 1.21 0.00 0.00 69 L 8.23 4.29 0.00 1.85 1.87 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.24 3.98 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 1.27 0.00 0.00 71 A 8.03 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 72 L 8.14 3.81 0.00 1.68 1.79 0.30 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 4.02 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 75 I 7.35 3.79 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.90 0.00 0.00 76 L 7.63 3.96 0.00 1.38 1.53 -0.09 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.62 4.03 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.53 7.81 78 K 7.83 3.98 0.00 1.88 1.80 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 8.30 2.00 0.00 1.32 0.74 0.00 1.39 0.00 0.00 1.34 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.41 0.84 7.81 80 G 8.09 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 0.00 0.00 0.00 81 H 7.27 4.71 0.00 3.20 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.20 5.31 0.00 3.35 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.39 3.97 0.00 2.10 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 2.43 2.49 0.00 84 A 7.94 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.17 4.12 0.00 2.26 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 0.00 2.41 2.48 0.00 86 L 8.06 4.17 0.00 1.76 1.72 0.86 1.01 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 87 K 7.73 3.95 0.00 1.87 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.71 7.81 88 P 0.00 4.34 0.00 2.31 2.34 0.00 3.84 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 2.23 2.06 0.00 89 L 7.52 4.04 0.00 1.90 1.94 1.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.22 1.51 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 91 Q 8.22 3.89 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.04 4.04 0.00 4.07 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 93 H 8.55 4.27 0.00 3.61 3.64 0.00 5.80 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 A 7.50 3.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.47 3.92 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 1.11 0.00 0.00 96 K 7.44 4.09 0.00 1.53 1.64 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.19 1.33 7.81 97 H 7.80 4.27 0.00 3.07 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.52 3.18 0.00 1.79 1.72 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 1.25 7.81 99 I 8.14 4.34 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 1.18 0.00 0.00 100 P 0.00 4.62 0.00 2.00 2.03 0.00 3.30 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 1.01 1.19 0.00 101 I 8.51 3.60 1.78 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.65 0.79 0.00 0.00 102 K 7.96 3.65 0.00 1.68 1.67 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.40 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.67 1.22 7.81 103 Y 8.07 4.24 0.00 3.25 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 0.00 104 L 7.96 4.24 0.00 1.85 1.77 0.73 1.12 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 0.00 105 E 7.87 4.01 0.00 2.03 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 2.37 2.47 0.00 106 F 7.78 4.54 0.00 3.18 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 0.00 107 I 7.93 3.74 1.79 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.97 0.00 0.00 108 S 7.98 4.16 0.00 4.12 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 0.00 109 E 8.27 3.97 0.00 2.17 2.25 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 2.34 2.38 0.00 110 A 7.85 3.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.85 3.60 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.59 0.98 0.00 0.00 112 I 7.76 3.82 1.97 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 1.68 0.82 1.13 0.00 0.00 113 H 8.30 4.14 0.00 3.28 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.80 3.58 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 0.90 0.00 0.00 0.96 0.00 0.00 115 L 7.75 3.80 0.00 0.62 0.66 0.77 0.88 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 0.00 116 H 7.81 4.33 0.00 3.48 3.54 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.75 4.18 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.82 4.15 0.00 1.59 1.62 0.00 3.09 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 119 H 8.20 5.03 0.00 3.19 3.19 0.00 5.63 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 0.00 120 P 0.00 4.30 0.00 2.20 2.26 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.14 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.18 5.02 0.00 2.78 2.90 0.00 0.00 6.67 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.80 4.90 0.00 2.97 2.99 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 0.00 124 G 7.55 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 0.00 125 A 8.42 3.88 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 0.00 126 D 7.97 4.22 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.83 3.20 0.00 1.39 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 129 G 8.01 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 0.00 130 A 7.84 3.86 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 0.00 131 M 8.13 4.02 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.87 0.00 132 N 8.42 4.33 0.00 2.93 2.91 0.00 0.00 6.84 7.77 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 0.00 133 K 8.00 3.82 0.00 1.97 1.72 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.36 7.81 134 A 7.89 3.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.12 4.13 0.00 1.88 1.80 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 4.03 0.00 2.13 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 2.33 2.56 0.00 137 L 7.99 3.94 0.00 1.89 1.97 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.18 4.18 0.00 3.14 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.10 3.50 0.00 1.85 1.83 0.00 3.15 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 140 K 8.16 3.84 0.00 1.87 1.95 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.13 4.37 0.00 2.71 2.70 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 0.00 142 I 7.53 3.54 1.29 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 0.85 -0.22 0.27 0.00 0.00 143 A 7.86 3.65 1.25 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 0.00 144 A 7.83 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.92 3.98 0.00 2.12 1.97 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.58 7.81 146 Y 8.39 4.35 0.00 3.19 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 0.00 147 K 8.11 3.98 0.00 1.89 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.89 4.05 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 149 L 7.81 4.32 0.00 1.82 1.71 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.95 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 0.00 151 Y 7.64 4.75 0.00 2.61 2.56 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 0.00 0.00 0.00 0.00 152 Q 8.45 3.79 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 153 G 6.13 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