NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6030 8.4249 119.1790 52.8656 39.9673 176.3634 4 Q 4.1604 8.1115 111.1866 54.2734 32.8956 170.6343 5 Y 4.9346 8.3020 118.4775 56.8021 41.3361 174.9589 6 Y 5.0316 8.5033 126.3120 55.3028 41.8775 173.9301 7 G 4.5630 5.3800 119.2860 47.8440 0.0000 174.0240 8 T 3.7730 7.6775 127.3479 62.7149 67.9107 175.7435 9 G 4.3619 10.9129 115.5285 46.7347 0.0000 173.0882 10 R 4.7821 7.5698 117.7612 55.3346 32.2739 174.1360 11 R 4.0411 8.2282 111.9795 56.2770 32.6832 172.8841 12 K 3.7325 8.9180 126.1292 56.5030 29.6250 175.2510 13 S 3.8392 8.1270 113.4178 58.1075 61.8584 170.4796 14 S 4.9696 7.6097 114.7682 58.0723 65.8395 173.7474 15 A 4.5866 8.5198 123.5679 51.3300 21.1839 174.5820 16 A 5.0513 8.4709 122.9367 50.8204 21.5579 175.8122 17 R 4.2987 8.9100 119.6431 54.1907 31.9761 175.0449 18 V 4.3479 7.4477 123.5906 60.7658 34.5653 174.1766 19 F 5.3959 8.4917 125.6055 56.0115 42.0721 174.0640 20 I 4.9818 8.8391 125.5779 59.6116 39.0562 174.9122 21 K 4.7920 9.1398 128.5032 53.4940 35.9715 173.3281 22 P 4.3337 0.0000 0.0000 65.2915 31.3824 174.7849 23 G 4.3379 8.9585 115.3109 46.3850 0.0000 172.8401 24 N 5.6067 8.6837 120.1163 50.5721 43.8399 173.9124 25 G 4.8760 8.8914 106.1197 45.6480 0.0000 173.8071 26 K 4.6625 7.8295 117.5338 54.7047 35.4418 174.8680 27 I 4.9521 7.9484 118.9411 59.9222 41.0369 175.9755 28 V 4.4920 8.2409 124.6459 61.9580 32.2017 175.2218 29 I 3.9841 8.0428 118.4480 62.6520 38.2378 175.1675 30 N 4.5040 9.7342 125.2980 54.5600 37.2409 174.0265 31 Q 3.5856 8.0153 110.6174 55.8985 26.4001 172.9176 32 R 4.3530 7.6387 114.7518 55.4925 34.3406 173.6309 33 S 4.2510 8.0919 115.7972 57.9910 63.2166 174.6379 34 L 3.7663 8.6433 127.1024 58.3394 41.8544 179.3188 35 E 4.0314 7.9051 116.6385 59.0624 29.6725 177.0157 36 Q 4.3745 7.7804 118.4261 55.6150 28.4461 175.0290 37 Y 4.7419 7.4169 121.9912 57.8061 46.9540 174.9842 38 F 5.7707 6.6240 109.0682 58.6880 40.2160 175.2598 39 G 4.0594 7.6531 110.6851 44.3375 0.0000 174.2434 40 R 5.1271 7.2319 124.2490 56.5177 33.1559 174.3448 41 E 4.6540 7.7067 122.7309 57.7039 29.1398 177.9984 42 T 4.4806 8.5140 116.3903 64.4031 68.6544 174.0187 43 A 5.1108 7.9844 125.5656 52.2949 21.3211 179.5380 44 R 4.1599 8.5554 119.6105 61.1070 29.5477 177.0309 45 M 4.8522 7.7365 113.5376 54.9984 31.8911 176.7643 46 V 3.8207 7.8141 112.9817 63.8776 31.9258 177.7834 47 V 3.8931 7.6044 112.3997 63.1971 32.1939 177.8368 48 R 4.0498 7.8141 119.2414 58.5475 29.8456 177.9630 49 Q 3.8941 7.6453 118.2352 58.4772 28.5591 177.7148 50 P 4.2250 0.0000 0.0000 64.2271 31.8964 175.8413 51 L 4.7825 8.2610 119.0557 54.1894 41.9288 175.9421 52 E 4.1944 7.5714 118.5798 57.9334 30.4247 177.5075 53 L 4.5889 8.1092 119.7146 55.5630 42.4259 178.4655 54 V 4.3711 7.0000 111.8460 59.8906 31.7030 174.0650 55 D 4.5168 7.2276 120.9287 52.2781 45.4882 175.3766 56 M 4.6776 9.0845 124.4551 54.7756 36.6986 176.1253 57 V 3.6180 10.1796 122.6258 63.1124 31.9761 173.1156 58 E 4.5202 7.5094 114.7004 57.1555 31.9086 177.1416 59 K 4.0183 8.1748 122.6542 58.4857 32.5724 176.2543 60 L 5.1696 7.5832 116.9409 53.9702 43.2708 174.7726 61 D 5.4978 9.8445 121.9246 52.3336 44.2882 174.9694 62 L 5.7554 8.1859 121.2325 54.2676 44.0877 173.9076 63 Y 5.2155 8.9926 124.7740 56.0749 40.7755 174.2108 64 I 4.7482 8.1831 126.0454 59.8600 41.7601 174.4099 65 T 5.1956 8.0945 119.0415 62.3485 73.1335 173.4988 66 V 5.1435 8.4101 121.4627 61.6644 34.4611 172.5741 67 K 4.6344 8.3919 121.8447 56.1498 36.5733 176.5614 68 G 4.1578 8.2811 105.9324 46.6626 0.0000 174.6468 69 G 3.8426 7.4608 105.9805 44.8807 0.0000 171.3672 70 G 4.0094 7.8860 108.3313 43.5998 0.0000 171.3372 71 I 3.2832 8.4155 116.4414 65.8976 36.7552 177.3538 72 S 4.0548 8.5279 121.3884 61.4267 63.3459 176.8664 73 G 3.5030 7.8042 108.4201 47.8119 0.0000 175.0786 74 Q 4.0195 8.2575 121.3803 58.4362 28.8037 178.6939 75 A 3.9026 7.4614 121.6633 55.4460 18.3345 179.9066 76 G 3.5899 8.3224 103.2924 46.9370 0.0000 176.0482 77 A 3.9308 7.8655 123.4457 55.3140 18.4151 179.5755 78 I 3.5335 7.6951 117.7896 64.6067 37.0592 177.9644 79 R 3.8721 7.7936 119.1140 60.3710 29.9231 177.8038 80 H 4.6536 7.7781 118.2260 57.9433 29.8467 177.6516 81 G 4.0184 7.9969 108.0261 48.7154 0.0000 175.7427 82 I 3.5748 8.4676 123.6254 64.2385 36.9607 178.2849 83 T 3.8915 7.5691 110.4147 65.5077 68.1885 176.1703 84 R 3.8997 7.5872 118.8704 58.5546 29.6956 178.6199 85 A 4.8890 7.7718 121.3780 53.6527 18.0596 178.2768 86 L 4.4416 7.7673 118.2292 55.6523 42.2157 177.8138 87 M 4.2430 7.9045 116.8525 57.0279 31.0214 177.7612 88 E 3.5409 7.3314 117.4627 59.7732 29.6001 178.0103 89 Y 4.0682 8.0875 116.5521 58.6737 37.9463 176.2462 90 D 4.4239 6.9732 116.6786 53.6634 41.9732 175.6807 91 E 4.4388 8.6178 116.7324 56.6430 29.4826 177.7882 92 S 4.3061 8.1779 116.0862 60.8253 62.8232 175.3300 93 L 4.1524 8.5710 120.2689 57.5293 40.9819 176.9059 94 R 4.7564 7.6627 120.5281 56.1470 29.7181 176.4210 95 S 4.5186 7.7193 112.3830 58.9070 67.4731 176.3886 96 E 3.9448 8.0180 118.3141 57.7463 29.5058 178.1154 97 L 4.0494 7.7083 120.3962 57.5294 42.0710 178.8812 98 R 3.8128 7.3741 118.8783 59.2633 29.8701 178.3636 99 K 4.0988 7.3838 116.9447 59.0014 32.1749 177.9586 100 A 3.7564 7.2142 119.7029 52.8036 18.6253 178.2767 101 G 3.8269 8.2435 106.6836 45.4473 0.0000 175.3986 102 F 4.7021 6.9695 116.4700 59.4706 39.0652 176.5503 103 V 3.9029 7.6522 113.7622 63.7524 31.8882 176.7887 104 T 4.1255 7.7328 116.9550 62.6422 68.8597 174.3035 105 R 3.7194 8.3999 126.9835 55.7853 30.3727 176.2837 106 D 4.4740 8.4838 125.8017 54.0271 39.0977 176.8094 107 A 4.1319 8.2821 126.3377 53.3923 18.7110 178.1181 108 R 3.9474 7.5625 115.6291 56.5397 30.0760 176.1698 109 Q 4.6995 8.2853 120.5153 53.3101 32.5574 175.1826 110 V 3.7980 8.2178 113.0098 61.6725 31.8852 175.8449 111 E 4.1612 8.6836 126.4125 55.0818 30.0892 176.4671 112 R 4.0518 8.4549 122.8310 56.0045 30.1299 175.7932 113 K 4.3744 8.3421 120.6967 56.0691 33.2506 176.2470 114 K 4.6135 8.2231 123.9059 53.8908 35.0400 175.8558 115 V 3.6685 8.3613 122.0483 63.5687 31.3573 176.6251 116 G 3.9722 9.1415 111.4330 45.0414 0.0000 172.8397 117 L 4.8308 7.2722 118.2305 52.4792 44.7039 176.7039 118 R 3.9373 8.4205 121.1174 58.6381 30.0760 176.5478 119 K 4.3551 7.9984 112.1970 56.8105 34.4104 175.7310 120 A 3.9835 9.1506 133.2183 53.8674 16.3461 179.0257 121 R 4.1982 9.3990 115.9097 58.0783 31.9866 176.8897 122 R 3.6058 7.0065 116.0604 55.1597 30.9496 174.3256 123 R 4.6973 8.3293 125.3613 53.2041 32.1917 172.6467 124 P 4.1085 0.0000 0.0000 62.9057 30.9780 175.4803 125 Q 3.9283 8.7852 124.5486 56.6059 28.9724 176.2425 126 F 4.9159 8.7682 120.0914 54.7105 40.1384 175.3414 127 S 4.1816 8.1789 116.7781 57.0584 64.2283 174.1227 128 K 3.1888 7.9831 114.6278 60.0104 31.8251 176.6355 129 R 4.1965 8.3961 119.7408 55.6523 30.5944 175.6371 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 3 N 8.42 4.60 0.00 2.61 1.87 0.00 0.00 6.82 6.19 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 4 Q 8.11 4.16 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 5 Y 8.30 4.93 0.00 3.12 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 6 Y 8.50 5.03 0.00 3.20 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 7 G 5.38 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 0.00 0.00 0.00 0.00 8 T 7.68 3.77 4.23 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 1.24 0.00 0.00 9 G 10.91 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 0.00 0.00 0.00 0.00 10 R 7.57 4.78 0.00 2.09 1.87 0.00 3.08 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 11 R 8.23 4.04 0.00 1.76 1.85 0.00 3.42 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 12 K 8.92 3.73 0.00 1.92 1.70 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.34 7.81 13 S 8.13 3.84 0.00 4.05 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 14 S 7.61 4.97 0.00 3.98 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 15 A 8.52 4.59 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 16 A 8.47 5.05 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 17 R 8.91 4.30 0.00 2.02 2.15 0.00 2.79 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 1.55 1.37 0.00 18 V 7.45 4.35 1.83 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 0.89 0.00 0.00 0.77 0.00 0.00 19 F 8.49 5.40 0.00 3.22 3.06 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 0.00 20 I 8.84 4.98 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.01 1.07 0.00 0.00 21 K 9.14 4.79 0.00 1.71 1.61 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.46 7.81 22 P 0.00 4.33 0.00 2.14 2.13 0.00 3.83 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 2.00 2.00 0.00 23 G 8.96 4.34 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 0.00 0.00 0.00 24 N 8.68 5.61 0.00 2.71 2.95 0.00 0.00 7.49 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 25 G 8.89 4.88 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 0.00 0.00 0.00 26 K 7.83 4.66 0.00 1.94 1.93 0.00 1.46 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.83 7.81 27 I 7.95 4.95 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.90 0.00 0.00 28 V 8.24 4.49 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 1.05 0.00 0.00 1.05 0.00 0.00 29 I 8.04 3.98 1.84 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 1.58 1.20 0.92 0.00 0.00 30 N 9.73 4.50 0.00 3.13 2.96 0.00 0.00 7.07 7.46 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 31 Q 8.02 3.59 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 32 R 7.64 4.35 0.00 1.73 1.89 0.00 3.25 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 33 S 8.09 4.25 0.00 3.89 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 34 L 8.64 3.77 0.00 1.67 1.58 0.57 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.91 4.03 0.00 2.02 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 2.32 2.41 0.00 36 Q 7.78 4.37 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 37 Y 7.42 4.74 0.00 2.79 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 0.00 0.00 0.00 0.00 38 F 6.62 5.77 0.00 3.25 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 39 G 7.65 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 0.00 0.00 0.00 0.00 40 R 7.23 5.13 0.00 1.81 1.96 0.00 3.24 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 41 E 7.71 4.65 0.00 2.44 1.80 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 2.38 2.37 0.00 42 T 8.51 4.48 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 1.21 0.00 0.00 43 A 7.98 5.11 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 44 R 8.56 4.16 0.00 1.95 2.14 0.00 3.01 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 45 M 7.74 4.85 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 46 V 7.81 3.82 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 0.70 0.00 0.00 0.92 0.00 0.00 47 V 7.60 3.89 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 0.81 0.00 0.00 0.95 0.00 0.00 48 R 7.81 4.05 0.00 1.81 2.03 0.00 3.37 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 49 Q 7.65 3.89 0.00 1.84 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 50 P 0.00 4.23 0.00 2.14 2.05 0.00 3.37 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 51 L 8.26 4.78 0.00 1.72 1.65 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.57 4.19 0.00 2.14 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 2.29 2.45 0.00 53 L 8.11 4.59 0.00 1.65 1.69 0.98 0.81 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 54 V 7.00 4.37 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 0.67 0.00 0.00 1.00 0.00 0.00 55 D 7.23 4.52 0.00 2.63 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 56 M 9.08 4.68 0.00 2.26 1.86 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 2.63 2.62 0.00 57 V 10.18 3.62 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 0.95 0.00 0.00 0.94 0.00 0.00 58 E 7.51 4.52 0.00 2.00 1.86 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 2.31 2.25 0.00 59 K 8.17 4.02 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 L 7.58 5.17 0.00 1.89 1.66 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.84 5.50 0.00 2.92 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 62 L 8.19 5.76 0.00 1.97 1.77 0.92 0.76 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 63 Y 8.99 5.22 0.00 3.06 3.06 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 0.00 64 I 8.18 4.75 1.78 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 1.29 0.54 0.83 0.00 0.00 65 T 8.09 5.20 4.17 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 1.26 0.00 0.00 66 V 8.41 5.14 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 0.79 0.00 0.00 0.93 0.00 0.00 67 K 8.39 4.63 0.00 1.78 1.92 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.38 7.81 68 G 8.28 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 69 G 7.46 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 70 G 7.89 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.42 3.28 1.79 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.13 0.79 0.00 0.00 72 S 8.53 4.05 0.00 3.96 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 73 G 7.80 3.50 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 74 Q 8.26 4.02 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 75 A 7.46 3.90 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 76 G 8.32 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 77 A 7.87 3.93 1.34 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 0.00 0.00 78 I 7.70 3.53 1.85 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 1.47 0.96 0.86 0.00 0.00 79 R 7.79 3.87 0.00 1.99 2.10 0.00 3.08 0.00 0.00 2.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 80 H 7.78 4.65 0.00 3.30 3.42 0.00 5.87 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 81 G 8.00 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 82 I 8.47 3.57 1.79 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 1.52 0.64 0.88 0.00 0.00 83 T 7.57 3.89 4.30 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 1.31 0.00 0.00 84 R 7.59 3.90 0.00 1.76 1.90 0.00 2.96 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 85 A 7.77 4.89 1.34 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 0.00 0.00 86 L 7.77 4.44 0.00 1.81 1.86 0.97 0.96 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 87 M 7.90 4.24 0.00 2.39 2.47 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 2.57 2.64 0.00 88 E 7.33 3.54 0.00 1.16 1.60 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 2.18 2.16 0.00 89 Y 8.09 4.07 0.00 2.97 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 90 D 6.97 4.42 0.00 2.76 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 91 E 8.62 4.44 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 2.28 2.23 0.00 92 S 8.18 4.31 0.00 3.83 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 93 L 8.57 4.15 0.00 1.89 1.87 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.66 4.76 0.00 1.80 1.93 0.00 3.18 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 95 S 7.72 4.52 0.00 3.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.02 3.94 0.00 1.95 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 2.34 2.28 0.00 97 L 7.71 4.05 0.00 1.99 1.67 1.15 1.32 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 98 R 7.37 3.81 0.00 1.91 1.86 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 99 K 7.38 4.10 0.00 1.86 1.91 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 100 A 7.21 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.24 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 0.00 0.00 0.00 102 F 6.97 4.70 0.00 3.07 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 0.00 103 V 7.65 3.90 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 0.75 0.00 0.00 0.92 0.00 0.00 104 T 7.73 4.13 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 1.19 0.00 0.00 105 R 8.40 3.72 0.00 1.64 1.79 0.00 3.36 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 106 D 8.48 4.47 0.00 2.75 2.60 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 0.00 107 A 8.28 4.13 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 0.00 108 R 7.56 3.95 0.00 1.79 1.89 0.00 3.09 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 109 Q 8.29 4.70 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.08 0.00 0.00 0.00 0.00 0.00 2.63 2.26 0.00 110 V 8.22 3.80 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 0.65 0.00 0.00 0.92 0.00 0.00 111 E 8.68 4.16 0.00 1.90 1.85 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 2.28 2.35 0.00 112 R 8.45 4.05 0.00 2.02 2.05 0.00 3.01 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 113 K 8.34 4.37 0.00 1.74 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 114 K 8.22 4.61 0.00 1.80 1.64 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.43 7.81 115 V 8.36 3.67 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 0.69 0.00 0.00 0.93 0.00 0.00 116 G 9.14 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 0.00 0.00 0.00 117 L 7.27 4.83 0.00 1.76 1.74 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.42 3.94 0.00 1.77 1.96 0.00 3.33 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 119 K 8.00 4.36 0.00 1.86 1.78 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.25 7.81 120 A 9.15 3.98 1.30 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 0.00 0.00 121 R 9.40 4.20 0.00 1.80 1.98 0.00 3.40 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 122 R 7.01 3.61 0.00 1.90 1.78 0.00 3.17 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 123 R 8.33 4.70 0.00 1.74 1.77 0.00 3.31 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 124 P 0.00 4.11 0.00 2.24 2.12 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 125 Q 8.79 3.93 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 126 F 8.77 4.92 0.00 3.21 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 0.00 127 S 8.18 4.18 0.00 3.86 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 0.00 128 K 7.98 3.19 0.00 1.76 1.67 0.00 1.27 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.46 7.81 129 R 8.40 4.20 0.00 1.75 1.82 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00