NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3484 8.3044 118.1904 55.2704 32.5213 174.2824 2 H 4.4546 8.6129 120.5124 54.4957 30.5195 173.0117 3 L 4.8457 7.7575 126.5202 52.1726 45.9231 176.6893 4 T 4.0377 8.7743 113.8442 60.9418 70.6340 173.8478 5 P 4.1772 0.0000 0.0000 65.7348 31.3035 178.7809 6 E 3.9301 8.0898 116.7925 59.5011 29.4445 179.1719 7 E 3.8895 8.3098 118.6374 59.2229 29.5224 179.3476 8 K 3.8133 8.1815 119.8695 59.5094 32.2569 178.7394 9 S 4.0544 8.2830 113.3429 61.2785 62.1656 175.9195 10 A 3.9925 7.9883 123.4974 55.1059 18.1120 179.7358 11 V 3.3014 7.6547 116.5866 66.5112 31.7015 178.3833 12 T 3.9679 7.9115 115.1836 66.5959 68.0776 176.5836 13 A 4.0488 7.8323 121.6293 55.1036 18.7400 179.1816 14 L 3.9518 7.9184 118.7597 58.0171 42.2395 178.9833 15 W 4.4581 8.7686 128.3360 60.1384 30.3884 178.0777 16 G 3.7692 8.0719 104.5757 46.9416 0.0000 174.7681 17 K 4.4215 7.7405 118.1441 55.4101 32.9447 176.7595 18 V 3.6138 6.9239 120.5420 62.1956 32.1296 175.7477 19 N 4.4761 8.3143 125.4546 52.3886 38.8946 175.3058 20 V 3.4718 8.1354 128.4720 66.2729 31.5965 177.3859 21 D 4.3312 8.0721 117.8948 57.3042 40.7591 178.4987 22 E 3.8804 8.0009 118.8668 59.4087 29.4247 179.6039 23 V 3.6099 7.8017 118.4613 65.6606 31.5643 178.2666 24 G 3.7381 8.4554 106.0747 47.9383 0.0000 175.9968 25 G 3.6406 8.0709 108.6392 47.2105 0.0000 175.5062 26 E 3.9263 8.2984 121.4677 59.0148 29.6741 178.7961 27 A 3.9680 8.2813 121.1760 55.2779 18.3273 179.0446 28 Y 3.8169 8.3456 118.3116 60.3435 38.9209 178.0355 29 G 3.6653 8.1548 106.8387 48.1366 0.0000 175.9070 30 R 3.8923 8.0848 121.1921 58.4650 29.9880 178.9159 31 L 3.9457 7.8238 120.2951 58.2017 41.5417 179.0507 32 L 4.0792 7.5522 119.9531 56.4179 41.3071 179.6448 33 V 3.5390 7.2037 117.6859 65.8748 31.6787 178.0008 34 V 3.5366 7.7090 116.9772 64.3759 32.7533 175.5745 35 Y 3.8686 7.1928 116.8419 54.2984 37.8371 174.1646 36 P 4.6055 0.0000 0.0000 63.6873 31.9188 178.0713 37 W 4.3921 7.7943 116.8741 59.1719 28.4643 177.8409 38 T 4.1572 7.5189 110.7156 64.0620 68.1802 175.7383 39 Q 4.5323 8.1053 120.9731 57.4192 28.4567 178.0219 40 R 3.8402 7.5488 117.0939 58.7425 29.4135 177.9578 41 F 4.3399 6.9829 114.8330 57.6836 39.5022 175.5971 42 F 4.6056 7.7171 118.5192 56.8527 39.7278 177.1633 43 E 4.1033 8.4605 122.1345 59.0363 29.5046 178.2008 44 S 4.7132 8.1358 111.3740 58.4181 63.3206 174.6443 45 F 4.4873 8.3939 119.5402 58.0031 39.6133 175.1436 46 G 3.9182 8.1871 105.2319 43.9620 0.0000 172.5685 47 D 4.5351 8.6758 122.0572 54.3270 41.4035 176.6986 48 L 4.8961 8.4062 125.8932 54.4789 43.0110 177.8610 49 S 4.3141 8.0972 115.6808 60.4701 63.5107 174.6583 50 T 4.7365 7.4357 109.6685 58.2491 72.9864 172.8215 51 P 4.2163 0.0000 0.0000 65.9563 31.3548 178.6627 52 D 4.3285 8.1051 116.8656 57.2417 40.5335 178.6061 53 A 3.9609 7.5289 120.3111 55.0779 18.8544 179.4778 54 V 3.7086 7.7785 116.6781 66.6811 31.4348 178.2648 55 M 4.2372 8.1244 116.9357 57.6397 31.8272 177.9928 56 G 4.0611 7.7554 103.2554 43.4181 0.0000 172.9785 57 N 4.5804 7.7239 121.4126 52.0045 39.4431 173.8060 58 P 4.2455 0.0000 0.0000 66.1798 31.1550 178.5678 59 K 3.7376 8.1017 117.8680 58.8095 31.7464 179.5498 60 V 3.7607 7.8872 118.3605 65.9577 31.5675 178.1331 61 K 4.0032 8.0299 117.8715 59.2657 31.8485 179.2867 62 A 3.9418 8.0327 121.1848 55.0721 18.3080 179.4833 63 Q 3.9051 8.1556 118.2797 59.0191 29.0972 178.4974 64 G 3.5061 8.1479 107.1922 47.6613 0.0000 175.1404 65 K 3.8325 7.9656 122.6050 59.0957 32.1411 178.2425 66 K 3.8560 7.9034 119.5047 59.7325 32.0629 178.7759 67 V 3.6694 7.7791 118.0396 66.1976 31.4857 178.1199 68 L 4.3738 8.3219 118.7320 57.4212 41.4816 179.7494 69 G 3.7153 8.3926 105.9567 47.8964 0.0000 175.7159 70 A 4.1687 8.1000 123.1180 54.6208 18.1744 179.3782 71 F 4.1675 8.4727 118.6868 61.6620 39.8023 176.9889 72 S 4.3147 8.8228 112.9532 61.6236 62.2101 175.9072 73 D 4.5304 8.2810 121.3003 57.2160 40.4265 178.9906 74 G 3.5510 7.9015 105.9134 47.5263 0.0000 175.6857 75 L 3.7589 7.3066 119.6646 56.8086 41.5961 178.6203 76 A 4.1722 7.5759 119.1292 53.2222 19.4997 176.8805 77 H 4.8675 8.0465 115.1518 54.9489 29.4574 175.7023 78 L 3.9802 7.8447 119.6568 57.5979 41.9373 178.7074 79 D 4.5315 7.9156 116.3980 55.7756 41.9142 176.3274 80 N 5.0248 8.0942 117.8221 51.4972 39.8791 174.6642 81 L 4.1035 7.8580 122.8535 57.6396 42.1239 179.2394 82 K 4.0852 8.0732 117.3008 59.5880 31.9553 179.1446 83 G 3.7049 8.0754 105.9806 47.9725 0.0000 175.9315 84 T 3.7544 7.7383 117.2484 65.7319 68.5945 175.8505 85 F 4.7303 7.9989 117.2478 57.2367 39.2423 177.5872 86 A 4.0842 7.6289 122.7889 55.6673 18.1637 180.7549 87 T 3.8380 7.8274 113.6818 66.8927 68.5742 176.9138 88 L 4.1691 7.9721 120.3293 57.3874 41.6786 179.2370 89 S 4.3948 8.4800 115.1987 61.0797 62.3231 176.0270 90 E 3.9061 8.2034 121.1612 59.2307 29.1528 179.2046 91 L 3.9057 7.9324 120.2205 58.6786 42.2400 178.9054 92 H 4.2202 8.6169 116.2643 58.9105 28.3994 177.1418 93 C 3.5845 7.7721 120.8602 62.2696 31.1424 175.3671 94 D 4.2434 8.2528 120.6480 56.4105 40.5660 177.5239 95 K 4.2618 7.7600 116.7765 57.4187 33.5352 177.1975 96 L 4.2111 7.6851 116.3298 54.5045 42.5984 175.9910 97 H 4.1565 7.0557 114.8346 56.6134 26.6603 175.1382 98 V 3.9317 7.7820 117.6134 60.8710 32.9045 174.8257 99 D 4.3923 8.7455 127.0741 53.8545 41.7100 175.1091 100 P 3.0938 0.0000 0.0000 64.0184 31.8587 177.9251 101 E 3.8723 8.1365 119.2914 59.1979 29.2943 178.2642 102 N 4.2497 7.8167 116.5792 56.3443 38.5141 177.1948 103 F 4.4675 7.3064 119.1277 60.6079 38.9620 177.6931 104 R 3.9766 7.9467 117.9757 59.1960 29.9805 178.3573 105 L 3.7806 7.8030 118.9451 57.6062 41.5585 179.1999 106 L 4.0270 8.1712 120.4900 57.9776 42.0559 179.1846 107 G 3.6999 8.1033 105.7475 48.0169 0.0000 175.4705 108 N 4.4568 8.1921 118.9397 55.8953 38.5595 177.7428 109 V 3.6189 7.8938 119.7935 65.9194 31.5354 177.8135 110 L 3.9025 8.4004 120.5389 58.0435 41.8922 179.1356 111 V 3.5619 7.7950 118.0757 66.2592 31.5362 177.7715 112 C 4.1157 8.1029 116.4730 62.8192 27.8389 176.3880 113 V 3.5560 7.9204 119.8695 65.8360 31.0606 178.0870 114 L 3.8484 7.9162 118.7276 57.6402 41.3411 179.3418 115 A 3.7337 7.3131 120.5766 55.2631 18.0701 179.1847 116 H 4.0781 7.8365 115.7340 59.5599 30.0046 176.8005 117 H 3.9895 8.1535 119.2601 58.9757 29.5589 176.6823 118 F 4.4900 8.5276 118.4060 57.0443 39.5582 177.0450 119 G 4.0101 8.8708 108.3828 46.1792 0.0000 177.6219 120 K 4.0970 8.8603 122.3971 59.2880 32.6086 178.0248 121 E 4.0361 7.8437 119.2204 58.7351 30.0710 177.1454 122 F 4.5095 8.0903 123.1338 56.9055 37.8424 174.9166 123 T 4.1419 7.3205 115.6733 60.4021 71.2692 173.3694 124 P 4.1683 0.0000 0.0000 65.6473 31.3504 177.2564 125 P 4.2372 0.0000 0.0000 65.2610 31.2394 178.9529 126 V 3.5334 7.3930 117.3110 65.8865 31.3772 177.7960 127 Q 3.5642 7.8438 119.4152 59.0095 28.8644 178.0868 128 A 3.9934 8.0916 121.5087 55.1113 18.3871 179.4528 129 A 3.8664 7.8277 118.6254 55.6911 18.4287 179.5674 130 Y 3.8615 8.1186 115.2110 61.1314 37.9569 178.8032 131 Q 4.1210 8.7047 119.6066 58.8876 28.7504 178.9396 132 K 3.9663 8.0335 119.4277 59.4440 32.0640 179.5952 133 V 3.5034 7.6981 118.4183 66.1674 31.3786 178.5725 134 V 3.8180 8.3888 112.3244 64.1920 31.3381 178.4972 135 A 4.0942 8.1328 120.7890 54.9800 18.1987 179.8047 136 G 3.5537 8.1968 104.4525 48.0226 0.0000 176.0625 137 V 3.3068 7.9136 120.8603 65.4820 31.5772 177.9611 138 A 3.8672 8.2219 120.7955 55.0920 17.9659 179.1580 139 N 4.2782 8.0412 114.6341 56.6633 38.8436 176.6432 140 A 4.1483 8.1154 122.3541 55.2523 18.6012 179.6030 141 L 3.9271 7.9365 116.8621 56.8928 41.7261 178.5132 142 A 4.5228 7.7216 118.9237 52.8150 18.8619 178.4122 143 H 4.2275 7.8635 116.4118 58.7915 29.9992 175.8166 144 K 4.4544 8.0404 117.2305 56.4043 32.0749 176.5477 145 Y 4.1503 7.9903 117.4102 58.4793 38.4168 175.7691 146 H 4.4725 8.3296 117.3079 56.1627 28.3506 173.2702 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 M 8.30 4.35 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 2 H 8.61 4.45 0.00 3.20 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.76 4.85 0.00 1.50 1.40 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.77 4.04 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 1.20 0.00 0.00 5 P 0.00 4.18 0.00 2.16 2.12 0.00 3.58 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 2.10 2.16 0.00 6 E 8.09 3.93 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 2.39 2.45 0.00 7 E 8.31 3.89 0.00 2.07 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 2.28 2.27 0.00 8 K 8.18 3.81 0.00 1.73 1.74 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.38 7.81 9 S 8.28 4.05 0.00 3.91 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 10 A 7.99 3.99 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 11 V 7.65 3.30 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 0.68 0.00 0.00 0.46 0.00 0.00 12 T 7.91 3.97 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 13 A 7.83 4.05 1.36 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 14 L 7.92 3.95 0.00 1.79 1.97 -0.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.77 4.46 0.00 3.82 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 16 G 8.07 3.77 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 0.00 0.00 0.00 17 K 7.74 4.42 0.00 2.04 2.06 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.46 7.81 18 V 6.92 3.61 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 0.09 0.00 0.00 0.79 0.00 0.00 19 N 8.31 4.48 0.00 2.70 2.58 0.00 0.00 6.83 7.71 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 20 V 8.14 3.47 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 1.23 0.00 0.00 0.89 0.00 0.00 21 D 8.07 4.33 0.00 2.80 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 22 E 8.00 3.88 0.00 2.01 1.87 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 2.27 2.24 0.00 23 V 7.80 3.61 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 1.03 0.00 0.00 0.69 0.00 0.00 24 G 8.46 3.74 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 0.00 0.00 0.00 25 G 8.07 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 0.00 0.00 0.00 26 E 8.30 3.93 0.00 2.13 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 2.33 0.00 27 A 8.28 3.97 1.35 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 0.00 0.00 0.00 28 Y 8.35 3.82 0.00 3.27 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 29 G 8.15 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 30 R 8.08 3.89 0.00 1.81 1.91 0.00 3.07 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 31 L 7.82 3.95 0.00 1.66 1.54 0.84 0.14 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 32 L 7.55 4.08 0.00 1.72 1.66 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.20 3.54 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 0.70 0.00 0.00 0.95 0.00 0.00 34 V 7.71 3.54 1.54 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 -0.01 0.00 0.00 0.71 0.00 0.00 35 Y 7.19 3.87 0.00 2.56 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 36 P 0.00 4.61 0.00 2.31 2.28 0.00 3.75 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 2.18 1.87 0.00 37 W 7.79 4.39 0.00 3.54 3.45 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 0.00 38 T 7.52 4.16 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 1.00 0.00 0.00 39 Q 8.11 4.53 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 40 R 7.55 3.84 0.00 1.69 1.94 0.00 2.98 0.00 0.00 2.63 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 41 F 6.98 4.34 0.00 1.95 2.42 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 42 F 7.72 4.61 0.00 2.89 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 0.00 0.00 0.00 43 E 8.46 4.10 0.00 1.97 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 2.28 2.22 0.00 44 S 8.14 4.71 0.00 4.10 4.08 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 45 F 8.39 4.49 0.00 3.28 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 46 G 8.19 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 0.00 0.00 0.00 47 D 8.68 4.54 0.00 2.66 2.63 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 48 L 8.41 4.90 0.00 1.67 1.64 1.08 1.06 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 49 S 8.10 4.31 0.00 4.04 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 50 T 7.44 4.74 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 1.21 0.00 0.00 51 P 0.00 4.22 0.00 2.15 2.10 0.00 3.59 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 2.08 2.15 0.00 52 D 8.11 4.33 0.00 2.67 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 53 A 7.53 3.96 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 54 V 7.78 3.71 2.19 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 1.04 0.00 0.00 0.98 0.00 0.00 55 M 8.12 4.24 0.00 2.01 2.10 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 2.61 2.90 0.00 56 G 7.76 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 57 N 7.72 4.58 0.00 3.03 2.89 0.00 0.00 6.90 7.04 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 58 P 0.00 4.25 0.00 2.23 2.26 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.10 3.74 0.00 1.42 0.74 0.00 1.52 0.00 0.00 1.14 0.00 0.00 2.72 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.13 1.22 7.81 60 V 7.89 3.76 2.30 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 1.18 0.00 0.00 1.08 0.00 0.00 61 K 8.03 4.00 0.00 1.98 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.57 7.81 62 A 8.03 3.94 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 63 Q 8.16 3.91 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.88 1.32 0.00 64 G 8.15 3.51 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 65 K 7.97 3.83 0.00 1.92 2.01 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.72 7.81 66 K 7.90 3.86 0.00 2.11 1.80 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 67 V 7.78 3.67 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 1.16 0.00 0.00 0.96 0.00 0.00 68 L 8.32 4.37 0.00 2.04 1.89 1.19 0.77 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 69 G 8.39 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 70 A 8.10 4.17 1.54 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 71 F 8.47 4.17 0.00 3.20 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 72 S 8.82 4.31 0.00 4.67 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 73 D 8.28 4.53 0.00 2.88 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 74 G 7.90 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.31 3.76 0.00 1.53 1.50 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.58 4.17 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 77 H 8.05 4.87 0.00 3.08 3.17 0.00 5.82 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 78 L 7.84 3.98 0.00 1.52 1.66 0.81 1.03 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 79 D 7.92 4.53 0.00 2.64 2.69 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 80 N 8.09 5.02 0.00 2.65 2.60 0.00 0.00 7.06 6.25 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 81 L 7.86 4.10 0.00 1.76 1.82 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.07 4.09 0.00 1.68 1.81 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 1.45 7.81 83 G 8.08 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 0.00 0.00 0.00 84 T 7.74 3.75 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 0.47 0.00 0.00 85 F 8.00 4.73 0.00 3.18 2.92 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 86 A 7.63 4.08 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 87 T 7.83 3.84 4.25 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 1.22 0.00 0.00 88 L 7.97 4.17 0.00 1.88 1.87 1.11 0.91 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 89 S 8.48 4.39 0.00 4.05 4.12 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 90 E 8.20 3.91 0.00 2.24 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 2.47 0.00 91 L 7.93 3.91 0.00 1.80 1.91 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.62 4.22 0.00 3.49 3.72 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.77 3.58 0.00 1.23 2.36 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 94 D 8.25 4.24 0.00 2.71 2.69 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 95 K 7.76 4.26 0.00 1.77 1.80 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.35 7.81 96 L 7.69 4.21 0.00 1.72 1.60 0.70 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.06 4.16 0.00 3.49 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.78 3.93 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 0.27 0.00 0.00 0.51 0.00 0.00 99 D 8.75 4.39 0.00 2.80 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 0.00 100 P 0.00 3.09 0.00 1.91 1.79 0.00 3.38 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.00 101 E 8.14 3.87 0.00 2.04 1.90 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 2.31 2.38 0.00 102 N 7.82 4.25 0.00 2.61 2.78 0.00 0.00 6.91 8.14 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 0.00 103 F 7.31 4.47 0.00 3.10 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 0.00 104 R 7.95 3.98 0.00 1.88 2.00 0.00 3.18 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 105 L 7.80 3.78 0.00 1.74 1.30 0.65 -0.12 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 0.00 106 L 8.17 4.03 0.00 1.73 1.71 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.10 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 0.00 0.00 0.00 108 N 8.19 4.46 0.00 2.80 2.94 0.00 0.00 6.68 7.69 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 0.00 109 V 7.89 3.62 2.19 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 1.02 0.00 0.00 1.11 0.00 0.00 110 L 8.40 3.90 0.00 1.76 1.79 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.79 3.56 2.33 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 1.28 0.00 0.00 1.16 0.00 0.00 112 C 8.10 4.12 0.00 3.18 2.93 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 0.00 113 V 7.92 3.56 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 1.05 0.00 0.00 0.95 0.00 0.00 114 L 7.92 3.85 0.00 0.93 1.17 0.62 1.22 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 0.00 115 A 7.31 3.73 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 0.00 116 H 7.84 4.08 0.00 3.20 3.43 0.00 5.78 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 0.00 117 H 8.15 3.99 0.00 2.87 2.86 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.53 4.49 0.00 3.29 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 0.00 119 G 8.87 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 0.00 120 K 8.86 4.10 0.00 1.91 2.00 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 121 E 7.84 4.04 0.00 2.07 2.33 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 2.32 2.27 0.00 122 F 8.09 4.51 0.00 3.08 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 0.00 123 T 7.32 4.14 4.21 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 1.30 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.15 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.24 0.00 2.11 2.06 0.00 3.47 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.39 3.53 1.90 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 0.93 0.00 0.00 0.89 0.00 0.00 127 Q 7.84 3.56 0.00 1.77 2.11 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 2.42 2.57 0.00 128 A 8.09 3.99 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 0.00 129 A 7.83 3.87 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 0.00 130 Y 8.12 3.86 0.00 3.34 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 0.00 131 Q 8.70 4.12 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 132 K 8.03 3.97 0.00 1.98 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.64 7.81 133 V 7.70 3.50 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 0.87 0.00 0.00 0.74 0.00 0.00 134 V 8.39 3.82 2.19 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 0.96 0.00 0.00 1.12 0.00 0.00 135 A 8.13 4.09 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 0.00 136 G 8.20 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.91 3.31 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 0.56 0.00 0.00 0.64 0.00 0.00 138 A 8.22 3.87 1.45 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 0.00 0.00 0.00 139 N 8.04 4.28 0.00 2.96 2.85 0.00 0.00 7.20 7.74 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 0.00 140 A 8.12 4.15 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 0.00 141 L 7.94 3.93 0.00 0.98 0.82 -0.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.72 4.52 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 0.00 143 H 7.86 4.23 0.00 3.38 3.52 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 0.00 144 K 8.04 4.45 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.74 7.81 145 Y 7.99 4.15 0.00 3.16 3.01 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 0.00 146 H 8.33 4.47 0.00 3.22 3.23 0.00 5.75 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