NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8304 8.4293 117.8446 55.1285 29.7211 175.3488 6 E 4.5333 8.8059 121.8382 53.4192 32.1070 174.2290 7 T 4.2429 8.9759 111.7194 61.2520 71.9010 176.5039 8 D 4.3979 8.6143 121.6446 57.8861 40.8657 179.0945 9 E 4.0684 8.2014 118.3920 59.4308 29.4675 179.1483 10 E 4.0449 8.1780 118.6702 59.0632 29.6337 178.9766 11 F 4.2596 8.3367 120.7575 61.5686 39.4624 176.7686 12 D 4.5054 8.6481 118.2747 57.4922 40.5900 178.8482 13 A 4.0048 8.2271 121.0961 55.1576 18.3950 179.4811 14 R 3.6858 8.0524 117.2280 59.5285 30.1768 178.8049 15 W 3.8047 7.8582 118.3140 59.3319 29.0854 178.8652 16 V 3.8413 8.2729 118.5898 66.4981 30.8131 178.2530 17 T 3.9218 8.0127 114.4949 66.5673 68.6340 175.7093 18 Y 3.9198 7.6455 121.0284 60.8629 38.6257 178.3308 19 F 4.6195 8.0269 116.3453 60.0087 39.2045 176.8566 20 N 4.7635 8.1107 114.3697 52.8009 38.9448 175.0767 21 K 3.7924 7.2101 122.2735 56.1756 32.6539 174.9160 22 P 4.2638 0.0000 0.0000 65.7448 31.2437 177.3869 23 D 4.8179 7.7769 114.4470 52.9577 39.8831 176.0992 24 I 3.7616 7.3780 120.3393 62.1952 38.4361 175.9180 25 D 4.8206 8.8537 127.9133 51.8689 42.5199 177.3309 26 A 4.0415 8.4788 120.3718 55.1482 18.2746 179.3743 27 W 4.0905 8.3804 126.2454 60.9292 30.8608 177.9419 28 E 4.5006 9.4938 118.8239 59.0852 28.8226 179.2589 29 L 4.2996 8.0233 120.7103 58.3429 42.2844 179.2211 30 R 3.8937 8.1138 118.0228 59.0759 30.0349 178.8139 31 K 3.5995 8.1348 119.8979 59.3254 31.9705 178.9236 32 G 3.7202 8.2671 105.7353 48.2151 0.0000 175.6109 33 M 4.1275 8.4169 121.6525 58.2026 31.8004 178.7395 34 N 4.3102 8.3764 115.7087 56.3782 39.0018 177.4045 35 T 3.9229 7.9460 117.3066 66.2208 68.5732 176.6844 36 L 3.4797 7.6788 122.6959 58.0543 42.0530 178.8297 37 V 3.8302 7.3762 108.5795 62.4122 31.3368 176.9674 38 G 3.6057 7.2740 108.4890 46.4128 0.0000 174.0408 39 Y 4.6721 6.9277 117.3142 57.4119 38.9806 175.7328 40 D 4.6336 8.2699 122.7471 51.2188 39.7321 175.1476 41 L 4.3370 7.1636 120.5361 54.8921 42.5809 174.3979 42 V 4.2432 8.2391 119.7542 60.3181 32.7587 173.9874 43 P 4.3994 0.0000 0.0000 62.6273 31.9916 176.1306 44 E 4.2296 8.7567 121.4129 55.8294 30.3290 176.2859 45 P 4.2685 0.0000 0.0000 65.7428 31.1809 179.1466 46 K 4.2303 8.1135 117.0370 59.7601 32.4096 179.3304 47 I 3.8985 7.9066 121.2348 64.4597 37.1290 178.2964 48 I 3.5820 7.7107 120.1575 64.1714 36.9245 177.8080 49 D 4.2282 8.5948 119.1044 57.3727 41.1065 178.1131 50 A 4.1446 7.8541 120.7987 55.2589 18.3575 179.5055 51 A 3.3632 7.7372 119.1757 55.0031 18.2917 179.9166 52 L 3.8661 7.9757 117.6748 57.9632 41.5825 179.9782 53 R 3.9570 8.1355 117.8679 59.0644 29.9755 178.9268 54 A 4.0398 8.0934 120.7614 55.3694 18.2787 179.4497 55 C 4.1260 7.9875 115.3006 62.7938 28.1121 176.3480 56 R 3.8954 7.9419 120.3108 59.6623 29.5481 178.9038 57 R 4.0068 8.1584 116.5745 58.5316 30.0225 177.9996 58 L 4.5012 7.6890 116.4789 53.2330 42.1842 175.9568 59 N 4.1631 8.1314 115.1821 54.7124 36.6265 174.8051 60 D 4.8106 8.1312 118.0004 51.9159 41.9931 175.4693 61 F 4.1656 8.7975 127.4428 60.8801 39.7158 176.0671 62 A 3.9286 8.2384 119.9558 55.6354 18.0554 179.6957 63 S 4.0349 8.3589 113.0923 61.3616 62.6558 176.7910 64 A 3.8203 7.5922 123.2441 54.9998 18.1128 179.8510 65 V 3.3674 7.1628 116.1497 66.1408 31.7207 177.9570 66 R 4.2245 7.8106 119.7042 59.0022 29.9476 178.5108 67 I 3.6874 7.9083 119.7065 64.1668 37.1430 178.4421 68 L 4.0741 7.5425 120.0464 57.7830 41.3430 179.2746 69 E 3.8643 8.2156 118.8185 59.4069 29.3451 179.8904 70 V 3.5751 7.8913 119.1459 64.5296 31.1991 178.6312 71 V 3.5600 7.4286 117.8896 65.6500 31.6153 177.5964 72 K 3.9065 7.7778 118.8995 59.4556 31.9562 178.1594 73 D 4.2360 8.0503 118.2811 57.3874 40.9596 178.3862 74 K 4.0426 8.2336 117.4427 58.8595 32.2805 178.6481 75 A 4.1946 8.0717 120.8759 52.2158 18.5276 178.6014 76 G 3.6032 8.3564 105.8123 46.5689 0.0000 173.3922 77 P 4.4258 0.0000 0.0000 63.4717 31.6357 176.8196 78 H 5.1171 7.9100 118.0272 54.4536 27.0076 175.8831 79 K 4.3514 8.1967 122.0934 57.9994 32.3559 179.1052 80 E 4.1862 8.2523 119.2979 59.2392 29.4304 178.4136 81 I 3.7997 7.4396 118.5618 64.8037 37.2522 177.3780 82 Y 4.2352 8.1481 119.2074 60.7409 38.6819 176.6080 83 P 4.2364 0.0000 0.0000 65.5657 31.3237 178.0670 84 Y 3.9883 7.7617 117.3808 60.4203 38.7553 177.8596 85 V 3.3202 7.9056 119.1583 66.1002 31.4637 178.0289 86 I 3.4655 7.5356 118.3907 64.2030 37.2028 177.8596 87 Q 3.9722 7.8221 120.2829 59.3219 28.7051 178.3486 88 E 3.8895 7.7033 117.7608 58.3564 29.6661 178.2727 89 L 4.3331 7.4580 117.7896 54.8441 42.1509 178.1679 90 R 3.8253 7.4253 119.4448 59.1987 29.8733 176.3084 91 P 4.2119 0.0000 0.0000 65.9491 31.3438 178.7224 92 T 3.8821 7.7985 113.9545 66.5148 68.4125 176.4638 93 L 3.9626 8.2448 121.2824 57.9092 41.6987 179.4515 94 N 4.3068 8.2801 116.2387 56.3008 38.3196 176.8653 95 E 3.9190 8.3349 119.6214 59.3761 29.8023 178.3755 96 L 4.4018 8.1399 116.1984 54.4958 42.0482 177.4753 97 G 3.8524 7.6539 106.2835 46.1922 0.0000 173.3456 98 I 4.3364 7.7981 121.0737 60.1525 37.4988 176.0792 99 S 4.7107 8.8627 122.4625 57.8610 64.0873 175.0568 100 T 4.1869 8.6591 115.3816 61.0084 70.6244 174.0750 101 P 4.3255 0.0000 0.0000 65.6628 31.2033 179.0008 102 E 4.1398 8.1919 117.1448 59.6116 29.3386 178.9344 103 E 3.9831 8.2715 117.2762 58.8894 29.5796 178.4850 104 L 4.5263 7.6555 115.9726 53.8796 42.4982 177.2831 105 G 3.9085 8.1715 107.9995 46.3489 0.0000 174.8670 106 L 4.4112 8.3021 117.9363 54.7697 41.5772 177.1555 107 D 4.6546 7.9225 117.8113 52.9825 40.2762 176.1680 108 K 4.4640 7.2546 119.1570 55.3158 34.1370 176.9982 109 V 3.7881 8.2885 114.7682 61.7251 31.4966 175.9792 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 5 H 8.43 4.83 0.00 3.16 2.73 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.81 4.53 0.00 2.36 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 2.19 2.44 0.00 7 T 8.98 4.24 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 1.26 0.00 0.00 8 D 8.61 4.40 0.00 2.73 2.81 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 0.00 0.00 0.00 9 E 8.20 4.07 0.00 2.09 2.04 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 2.43 2.51 0.00 10 E 8.18 4.04 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 2.35 2.35 0.00 11 F 8.34 4.26 0.00 3.07 3.28 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 12 D 8.65 4.51 0.00 3.04 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 13 A 8.23 4.00 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 14 R 8.05 3.69 0.00 1.94 1.80 0.00 2.28 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 15 W 7.86 3.80 0.00 3.43 3.28 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 16 V 8.27 3.84 2.17 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 1.12 0.00 0.00 1.16 0.00 0.00 17 T 8.01 3.92 4.38 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 1.18 0.00 0.00 18 Y 7.65 3.92 0.00 2.74 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 19 F 8.03 4.62 0.00 3.32 3.23 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 20 N 8.11 4.76 0.00 2.89 2.90 0.00 0.00 6.91 6.89 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 21 K 7.21 3.79 0.00 1.75 1.58 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.36 7.81 22 P 0.00 4.26 0.00 2.07 2.12 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 23 D 7.78 4.82 0.00 2.77 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 24 I 7.38 3.76 1.89 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 1.40 0.82 1.02 0.00 0.00 25 D 8.85 4.82 0.00 3.07 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 26 A 8.48 4.04 1.42 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 0.00 0.00 27 W 8.38 4.09 0.00 3.44 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 28 E 9.49 4.50 0.00 2.32 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 2.69 2.84 0.00 29 L 8.02 4.30 0.00 1.93 1.98 1.07 1.05 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 30 R 8.11 3.89 0.00 1.84 1.85 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 31 K 8.13 3.60 0.00 0.79 1.39 0.00 1.12 0.00 0.00 1.29 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.35 7.81 32 G 8.27 3.72 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 33 M 8.42 4.13 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 34 N 8.38 4.31 0.00 2.59 2.79 0.00 0.00 7.14 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 35 T 7.95 3.92 4.50 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 1.27 0.00 0.00 36 L 7.68 3.48 0.00 0.93 1.50 -0.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.38 3.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.91 0.00 0.00 38 G 7.27 3.61 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 0.00 39 Y 6.93 4.67 0.00 2.97 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 40 D 8.27 4.63 0.00 2.65 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 41 L 7.16 4.34 0.00 1.69 1.50 1.04 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.24 4.24 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 0.94 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.40 0.00 2.07 1.95 0.00 3.75 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 1.98 2.08 0.00 44 E 8.76 4.23 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 45 P 0.00 4.27 0.00 2.15 2.04 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 46 K 8.11 4.23 0.00 2.03 2.12 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.62 7.81 47 I 7.91 3.90 2.06 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 1.70 0.66 1.09 0.00 0.00 48 I 7.71 3.58 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.84 0.83 0.00 0.00 49 D 8.59 4.23 0.00 2.73 2.81 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 0.00 0.00 0.00 50 A 7.85 4.14 1.56 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 0.00 0.00 51 A 7.74 3.36 0.56 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 0.00 0.00 52 L 7.98 3.87 0.00 1.78 1.67 0.86 0.80 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 53 R 8.14 3.96 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 54 A 8.09 4.04 1.56 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 0.00 0.00 55 C 7.99 4.13 0.00 3.22 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 56 R 7.94 3.90 0.00 1.96 2.16 0.00 3.19 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 57 R 8.16 4.01 0.00 1.97 2.01 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 58 L 7.69 4.50 0.00 1.72 1.72 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.13 4.16 0.00 2.87 2.91 0.00 0.00 6.59 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 60 D 8.13 4.81 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.80 4.17 0.00 3.23 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 62 A 8.24 3.93 1.42 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 0.00 0.00 63 S 8.36 4.03 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.59 3.82 1.15 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 0.00 0.00 65 V 7.16 3.37 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 0.97 0.00 0.00 0.38 0.00 0.00 66 R 7.81 4.22 0.00 2.03 2.01 0.00 3.35 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 67 I 7.91 3.69 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.02 0.79 0.00 0.00 68 L 7.54 4.07 0.00 1.88 1.86 0.90 0.86 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 69 E 8.22 3.86 0.00 2.18 1.92 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 2.26 2.41 0.00 70 V 7.89 3.58 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 0.97 0.00 0.00 0.87 0.00 0.00 71 V 7.43 3.56 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.03 0.00 0.00 72 K 7.78 3.91 0.00 0.79 1.56 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.71 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.11 0.89 7.81 73 D 8.05 4.24 0.00 2.87 2.71 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 0.00 0.00 0.00 74 K 8.23 4.04 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.57 7.81 75 A 8.07 4.19 1.50 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 76 G 8.36 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 77 P 0.00 4.43 0.00 2.09 2.11 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 78 H 7.91 5.12 0.00 3.46 3.38 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 79 K 8.20 4.35 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 80 E 8.25 4.19 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 2.41 2.49 0.00 81 I 7.44 3.80 1.97 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 1.43 0.74 1.01 0.00 0.00 82 Y 8.15 4.24 0.00 2.95 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 83 P 0.00 4.24 0.00 2.23 2.08 0.00 3.92 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 84 Y 7.76 3.99 0.00 3.16 3.19 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 0.00 85 V 7.91 3.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.13 0.00 0.00 86 I 7.54 3.47 1.50 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.03 0.73 0.00 0.00 87 Q 7.82 3.97 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 88 E 7.70 3.89 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 89 L 7.46 4.33 0.00 1.74 1.61 0.84 0.73 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 90 R 7.43 3.83 0.00 2.02 1.90 0.00 3.23 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 91 P 0.00 4.21 0.00 2.17 2.06 0.00 3.54 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 2.08 2.15 0.00 92 T 7.80 3.88 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 1.21 0.00 0.00 93 L 8.24 3.96 0.00 1.78 1.85 0.86 0.56 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 94 N 8.28 4.31 0.00 2.96 2.86 0.00 0.00 6.69 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 95 E 8.33 3.92 0.00 1.95 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 0.00 2.33 2.37 0.00 96 L 8.14 4.40 0.00 1.72 1.73 0.92 1.25 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 97 G 7.65 3.85 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 0.00 0.00 0.00 98 I 7.80 4.34 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.79 0.00 0.00 99 S 8.86 4.71 0.00 4.09 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 0.00 100 T 8.66 4.19 4.45 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 0.00 0.00 0.00 1.19 0.00 0.00 101 P 0.00 4.33 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 102 E 8.19 4.14 0.00 2.12 2.04 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 2.51 2.73 0.00 103 E 8.27 3.98 0.00 2.23 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 2.37 2.38 0.00 104 L 7.66 4.53 0.00 1.70 1.76 1.14 0.81 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 0.00 105 G 8.17 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 0.00 106 L 8.30 4.41 0.00 1.63 1.71 0.96 0.86 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 0.00 107 D 7.92 4.65 0.00 2.76 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 0.00 108 K 7.25 4.46 0.00 1.96 1.85 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.39 7.81 109 V 8.29 3.79 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 0.66 0.00 0.00 0.92 0.00 0.00