NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3598 0.0000 0.0000 62.5361 32.5133 176.6972 8 E 4.1647 8.5174 124.3291 53.6445 28.3796 174.8462 9 T 4.3634 8.5153 116.8429 60.3302 73.0473 175.0262 10 L 4.0132 8.2525 119.7489 57.7669 41.4962 179.4368 11 E 3.9862 8.2085 117.9416 59.5599 29.6723 179.0767 12 A 4.0442 7.9760 120.5673 55.2300 18.3275 179.9468 13 R 3.9178 8.2272 116.6225 59.5162 30.3440 179.1776 14 I 3.4862 8.2853 118.5883 63.8124 37.6750 177.6864 15 N 4.3366 8.0230 117.0307 55.9809 38.0894 177.0014 16 R 4.0094 7.8420 119.7318 59.1998 30.0906 178.2593 17 A 4.0569 8.1525 119.4817 53.8717 18.3262 177.9770 18 T 4.1009 7.0543 104.9775 60.7146 69.6123 173.5357 19 N 4.2170 7.5833 121.3091 53.6119 39.0760 174.0027 20 P 4.3332 0.0000 0.0000 65.4073 31.5626 177.2771 21 L 4.3393 8.5158 116.7779 55.6717 41.9984 177.0643 22 N 4.4492 8.0461 117.2282 53.8221 38.7547 175.3187 23 K 4.2633 8.7694 121.9589 57.9847 32.8026 176.2880 24 E 4.8445 7.8660 114.4790 54.5381 32.0818 174.6750 25 L 3.7814 8.6542 119.5890 55.8034 42.1140 178.3954 26 D 4.6554 7.9439 122.8327 52.4746 39.6755 176.5468 27 W 4.2812 8.2598 124.6048 59.0460 29.4145 177.3435 28 A 4.0981 8.1489 120.3665 55.4415 17.9035 179.7773 29 S 4.1198 8.2672 113.2564 61.6185 62.9678 176.8996 30 I 3.6417 7.8504 122.5371 64.6535 36.8475 178.3129 31 N 4.6147 8.9248 117.8046 56.2899 38.2631 177.7938 32 G 3.6790 8.2922 107.2991 47.5432 0.0000 175.6528 33 F 4.0237 8.3336 122.9489 61.2787 39.2387 176.6450 34 C 4.0679 7.9345 114.3347 59.9820 38.5734 175.4876 35 E 4.0037 8.4109 120.4556 59.7738 29.2462 179.4244 36 Q 3.9882 8.2418 119.6239 58.8964 29.1073 178.2405 37 L 3.8002 7.5644 120.6533 57.9563 40.4485 178.1054 38 N 4.6433 7.5352 114.5849 53.9477 39.0392 175.5924 39 E 4.3287 7.6949 117.3057 56.0997 29.5284 175.8398 40 D 4.5023 7.7614 115.2151 53.3503 44.7416 176.4231 41 F 4.2933 9.1204 127.8092 61.3121 39.5927 175.7703 42 E 3.9405 8.0883 117.5218 56.3743 30.0156 178.1164 43 G 3.8979 7.5062 108.8929 46.7951 0.0000 173.8416 44 P 4.3489 0.0000 0.0000 64.8488 31.4214 177.0144 45 P 4.2170 0.0000 0.0000 65.1888 31.1668 178.5171 46 L 3.8912 7.6644 119.0802 58.0179 41.9981 178.5798 47 A 4.1846 8.4016 121.1656 55.9077 18.3032 179.6402 48 T 3.8257 8.1377 111.2224 65.0292 67.2555 176.5507 49 R 4.0514 8.0822 121.0662 59.1759 30.1194 178.4999 50 L 4.0682 8.3372 119.1035 57.7742 41.6658 179.4105 51 L 4.0152 8.5332 119.1292 57.8174 41.3907 179.3328 52 A 4.0383 8.2846 119.5345 55.5565 18.2677 178.9155 53 H 4.2998 8.1922 116.2906 59.4200 29.9904 177.7197 54 K 3.9140 8.1734 120.3036 59.4661 31.5901 179.4272 55 I 3.8429 7.7660 119.3753 63.8652 37.0708 177.4534 56 Q 4.2700 7.4055 116.2179 55.0973 29.0829 176.0930 57 S 4.1744 7.2849 116.1117 57.6864 62.8494 172.7137 58 P 4.3108 0.0000 0.0000 64.5013 31.5987 176.8907 59 Q 4.3476 8.0673 118.9785 54.3727 29.2783 175.6952 60 E 3.9298 8.8382 126.4709 59.3759 29.7733 178.5994 61 W 4.5317 8.3077 127.5364 60.2676 30.7305 177.4571 62 E 3.7540 8.1754 118.8455 59.0124 29.1942 178.3068 63 A 4.0775 7.8591 120.7334 55.3503 18.4808 179.5268 64 I 3.6615 8.4037 118.6024 64.7792 37.1410 178.7018 65 Q 3.5414 7.7162 118.4420 58.6889 28.3376 178.7445 66 A 3.7973 7.8803 121.7577 55.1395 18.3382 179.7266 67 L 4.0385 8.3281 117.8645 58.1031 41.5388 179.9625 68 T 3.9374 7.7643 115.9953 66.3591 68.3543 176.7652 69 V 3.5053 7.7994 120.4012 65.9542 31.5028 177.6077 70 L 4.1162 8.0895 119.9170 58.3152 41.9833 178.3200 71 E 4.3070 8.7396 119.4664 59.9645 29.3373 178.9592 72 T 4.0462 8.0846 114.1680 67.1084 68.7923 175.7797 73 C 4.4349 8.8467 118.7730 60.2378 39.9210 176.1236 74 M 4.1261 8.3308 119.6738 58.1387 31.6381 178.5379 75 K 4.2529 8.2766 117.3596 57.4738 32.5282 177.1040 76 S 4.8480 7.0288 115.1172 56.1870 64.8592 173.8452 77 C 4.1545 8.6378 118.0263 57.4062 30.0066 173.5392 78 G 4.6464 8.3603 123.4710 44.8589 0.0000 172.7556 79 K 3.9071 8.1691 128.6673 59.0853 32.2455 178.6556 80 R 3.8613 7.8910 117.7347 59.2368 30.1213 178.6986 81 F 4.0310 8.0361 119.7938 61.5941 39.5032 176.4700 82 H 3.8836 8.0372 115.8279 59.1793 28.2690 177.5309 83 D 4.5204 8.1664 119.7772 57.1518 40.8883 178.3879 84 E 3.9273 7.9453 119.3139 59.3952 29.2371 179.6233 85 V 3.2007 6.9450 117.0067 65.2086 31.4153 177.4220 86 G 3.7496 7.2806 102.9373 44.0779 0.0000 173.2202 87 K 4.3772 7.0658 120.5926 54.2610 34.3240 177.7675 88 F 4.4183 8.1279 119.9829 60.6378 38.5256 177.7564 89 R 4.0261 8.1930 117.5172 59.0125 29.9728 177.3831 90 F 4.5173 7.9330 119.1185 60.4580 40.0120 177.2790 91 L 4.0007 8.2013 118.7833 58.1999 41.4505 179.2567 92 N 4.2323 8.7485 116.4261 56.4828 38.1950 177.2722 93 E 3.9422 7.6840 119.1478 59.2684 29.5512 179.0648 94 L 4.0402 7.4247 118.6162 57.6739 41.8855 179.3978 95 I 3.7314 7.8621 120.0892 64.1524 37.0002 178.4461 96 K 3.7695 7.8328 119.4607 59.4942 31.6699 179.4845 97 V 3.7141 7.5990 118.3773 65.4001 31.2784 177.6340 98 V 4.1340 7.5519 108.7532 61.3691 32.4632 175.5565 99 S 4.7852 7.8302 117.4553 56.0393 64.0586 173.5403 100 P 4.2658 0.0000 0.0000 65.2628 31.2786 177.6419 101 K 4.0297 8.0638 118.0593 58.0893 33.7124 176.6541 102 Y 4.1852 8.6034 113.5840 57.7915 38.5544 175.9110 103 L 4.6118 6.0468 131.0834 54.9634 44.1066 178.6452 104 G 3.9009 8.3263 109.0217 49.0796 0.0000 175.8054 105 S 4.2665 8.0790 112.5870 59.9348 63.2585 174.7539 106 R 4.5016 7.9234 118.5564 56.1022 30.5742 175.6259 107 T 4.6051 7.3415 115.2066 61.4230 70.4471 175.4590 108 S 4.2999 8.3748 120.3890 58.3871 65.0610 175.1853 109 E 3.9101 8.7611 123.6567 59.1422 29.3708 179.1374 110 K 3.8695 8.0084 119.3977 59.4938 32.3548 178.7377 111 V 3.5757 7.6039 117.8157 65.8932 31.4975 178.0323 112 K 3.9221 8.1631 118.1888 59.7975 31.9860 179.2172 113 N 4.4053 8.6267 116.9344 55.9304 38.3708 177.5088 114 K 3.9450 8.0475 121.3152 59.4502 32.2364 178.9093 115 I 3.6608 7.6970 120.0519 64.4647 37.0524 178.4524 116 L 4.0927 7.9526 119.7485 57.9294 41.4309 179.5114 117 E 4.0388 8.3916 118.5913 59.0670 29.3563 179.4057 118 L 3.4586 7.7793 119.0870 57.4812 41.6472 179.3159 119 L 3.7084 7.5223 118.9270 57.9120 41.6670 178.9753 120 Y 3.1168 7.7751 119.3919 60.4373 38.6979 178.2580 121 S 3.9527 7.9131 115.0807 61.3994 62.8494 176.6029 122 W 4.5728 7.8743 122.6266 59.5028 28.5186 178.6282 123 T 3.7958 7.3569 109.3224 64.4574 68.1323 176.6342 124 V 3.6798 7.0280 119.9180 65.6995 31.7705 178.0616 125 G 3.8074 8.3784 103.9710 46.0653 0.0000 173.6752 126 L 5.1814 7.9087 119.4152 51.3689 42.0659 175.6863 127 P 4.2278 0.0000 0.0000 65.4864 32.1078 178.5640 128 E 4.0719 8.1089 117.1876 58.9179 30.0488 176.5067 129 E 4.5053 8.0995 120.7407 54.8469 28.0307 177.4175 130 V 3.7017 7.6698 115.9614 64.1029 31.9418 177.8113 131 K 4.1355 7.8628 117.5259 58.7953 31.8091 179.2997 132 I 3.8335 7.7140 120.4806 64.3429 36.9977 178.2157 133 A 4.1143 8.0013 121.2243 54.9180 18.2354 179.1888 134 E 3.9356 8.3778 117.7945 59.3812 29.8241 178.6930 135 A 4.1136 8.5924 121.2600 55.6902 18.4843 179.0514 136 Y 4.0933 8.4079 117.9059 60.9791 38.8213 178.2063 137 Q 4.0669 8.6091 119.2844 58.8104 28.6752 178.2702 138 M 4.0005 8.2743 119.5062 58.7219 32.2627 178.2410 139 L 3.9131 7.9712 119.0429 57.6804 41.7119 179.8489 140 K 3.9860 7.8237 118.4328 59.3573 31.8145 179.5703 141 K 3.9990 7.9047 117.6152 59.3996 32.0817 178.6443 142 Q 4.2915 8.1367 115.5609 55.9164 28.8611 177.0148 143 G 3.9136 7.8266 108.5432 45.6611 0.0000 175.1776 144 I 3.6560 7.7374 120.7693 64.1126 37.2330 176.9134 145 V 3.6328 7.3491 122.8763 62.4277 31.2030 175.9847 146 K 4.1384 8.4814 126.0452 56.7216 31.9919 177.1078 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 7 P 0.00 4.36 0.00 2.06 2.07 0.00 3.63 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 1.92 2.11 0.00 8 E 8.52 4.16 0.00 2.03 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 2.36 0.00 9 T 8.52 4.36 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 10 L 8.25 4.01 0.00 1.70 1.80 0.71 0.30 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 11 E 8.21 3.99 0.00 2.07 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 2.42 2.48 0.00 12 A 7.98 4.04 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 13 R 8.23 3.92 0.00 2.23 2.19 0.00 3.11 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 14 I 8.29 3.49 1.93 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 1.27 0.99 1.00 0.00 0.00 15 N 8.02 4.34 0.00 2.91 2.85 0.00 0.00 6.97 7.09 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 16 R 7.84 4.01 0.00 2.07 1.98 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 17 A 8.15 4.06 1.17 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 0.00 0.00 18 T 7.05 4.10 4.15 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 0.94 0.00 0.00 19 N 7.58 4.22 0.00 2.89 2.90 0.00 0.00 7.20 7.59 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 20 P 0.00 4.33 0.00 2.12 2.18 0.00 3.70 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 2.03 2.10 0.00 21 L 8.52 4.34 0.00 1.77 1.76 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.05 4.45 0.00 3.02 3.13 0.00 0.00 6.98 7.19 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 23 K 8.77 4.26 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 24 E 7.87 4.84 0.00 2.11 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 2.26 2.41 0.00 25 L 8.65 3.78 0.00 1.46 0.81 0.97 0.74 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 26 D 7.94 4.66 0.00 2.63 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 27 W 8.26 4.28 0.00 3.50 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 28 A 8.15 4.10 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 29 S 8.27 4.12 0.00 4.00 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 30 I 7.85 3.64 1.98 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.93 0.00 0.00 31 N 8.92 4.61 0.00 2.88 3.10 0.00 0.00 6.98 7.33 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 32 G 8.29 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 4.02 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 34 C 7.93 4.07 0.00 3.16 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 35 E 8.41 4.00 0.00 2.08 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 2.31 2.42 0.00 36 Q 8.24 3.99 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 37 L 7.56 3.80 0.00 1.46 1.37 0.21 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.54 4.64 0.00 2.73 2.83 0.00 0.00 6.86 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 39 E 7.69 4.33 0.00 2.09 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 2.30 2.25 0.00 40 D 7.76 4.50 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.12 4.29 0.00 2.93 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.09 3.94 0.00 1.97 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 0.00 2.35 2.24 0.00 43 G 7.51 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 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.11 2.23 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 45 P 0.00 4.22 0.00 2.06 2.01 0.00 3.54 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 46 L 7.66 3.89 0.00 1.83 1.72 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.40 4.18 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 48 T 8.14 3.83 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 1.26 0.00 0.00 49 R 8.08 4.05 0.00 1.99 2.09 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 50 L 8.34 4.07 0.00 2.04 1.78 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.53 4.02 0.00 1.95 1.97 1.17 0.45 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 52 A 8.28 4.04 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 53 H 8.19 4.30 0.00 3.19 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.17 3.91 0.00 1.77 1.76 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.53 7.81 55 I 7.77 3.84 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.91 0.00 0.00 56 Q 7.41 4.27 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 57 S 7.28 4.17 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.31 0.00 2.09 2.10 0.00 3.71 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 2.03 2.10 0.00 59 Q 8.07 4.35 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 60 E 8.84 3.93 0.00 2.08 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 2.48 2.43 0.00 61 W 8.31 4.53 0.00 3.33 3.07 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 0.00 0.00 0.00 0.00 62 E 8.18 3.75 0.00 2.01 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 2.28 2.41 0.00 63 A 7.86 4.08 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 64 I 8.40 3.66 2.15 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 1.76 1.00 1.14 0.00 0.00 65 Q 7.72 3.54 0.00 1.70 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.00 66 A 7.88 3.80 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 67 L 8.33 4.04 0.00 1.83 1.78 0.94 0.67 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 68 T 7.76 3.94 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 69 V 7.80 3.51 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 0.60 0.00 0.00 0.71 0.00 0.00 70 L 8.09 4.12 0.00 2.01 2.03 1.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.74 4.31 0.00 2.28 2.27 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 2.49 2.54 0.00 72 T 8.08 4.05 4.59 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 1.45 0.00 0.00 73 C 8.85 4.43 0.00 2.93 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 74 M 8.33 4.13 0.00 1.86 2.60 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.90 0.00 75 K 8.28 4.25 0.00 2.01 1.95 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.65 7.81 76 S 7.03 4.85 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.64 4.15 0.00 3.08 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 78 G 8.36 4.65 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 0.00 0.00 0.00 79 K 8.17 3.91 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.52 7.81 80 R 7.89 3.86 0.00 1.90 1.95 0.00 3.23 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 81 F 8.04 4.03 0.00 2.97 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 82 H 8.04 3.88 0.00 3.39 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.17 4.52 0.00 2.70 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 84 E 7.95 3.93 0.00 1.74 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 85 V 6.95 3.20 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 0.22 0.00 0.00 -0.46 0.00 0.00 86 G 7.28 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.07 4.38 0.00 1.93 1.67 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.48 7.81 88 F 8.13 4.42 0.00 3.10 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 89 R 8.19 4.03 0.00 1.85 2.03 0.00 3.24 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 1.68 1.75 0.00 90 F 7.93 4.52 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.20 4.00 0.00 1.93 1.88 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.75 4.23 0.00 2.71 2.77 0.00 0.00 7.04 7.53 0.00 0.00 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 E 7.68 3.94 0.00 1.66 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 2.40 2.43 0.00 94 L 7.42 4.04 0.00 1.77 1.69 1.21 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.86 3.73 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.21 0.86 0.00 0.00 96 K 7.83 3.77 0.00 1.86 1.79 0.00 1.70 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.64 1.11 7.81 97 V 7.60 3.71 2.22 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 1.03 0.00 0.00 0.93 0.00 0.00 98 V 7.55 4.13 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 0.79 0.00 0.00 1.00 0.00 0.00 99 S 7.83 4.79 0.00 4.15 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 P 0.00 4.27 0.00 2.02 2.12 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 101 K 8.06 4.03 0.00 1.61 1.76 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.34 1.06 7.81 102 Y 8.60 4.19 0.00 3.09 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.05 4.61 0.00 1.77 1.70 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.33 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 0.00 0.00 0.00 105 S 8.08 4.27 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.92 4.50 0.00 1.83 1.98 0.00 3.14 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 107 T 7.34 4.61 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 0.00 108 S 8.37 4.30 0.00 4.06 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 0.00 109 E 8.76 3.91 0.00 2.10 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 0.00 2.38 2.62 0.00 110 K 8.01 3.87 0.00 1.88 1.82 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.53 7.81 111 V 7.60 3.58 2.23 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 0.99 0.00 0.00 0.96 0.00 0.00 112 K 8.16 3.92 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 113 N 8.63 4.41 0.00 2.86 2.87 0.00 0.00 6.74 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.05 3.94 0.00 1.97 1.95 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 115 I 7.70 3.66 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.58 0.92 0.00 0.00 116 L 7.95 4.09 0.00 1.74 1.82 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.39 4.04 0.00 2.03 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 2.47 2.48 0.00 118 L 7.78 3.46 0.00 1.45 0.41 0.97 0.26 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 0.00 119 L 7.52 3.71 0.00 1.95 1.86 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.78 3.12 0.00 2.72 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 0.00 121 S 7.91 3.95 0.00 4.04 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 0.00 122 W 7.87 4.57 0.00 3.53 3.07 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 0.00 0.00 0.00 0.00 123 T 7.36 3.80 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 124 V 7.03 3.68 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 0.75 0.00 0.00 0.38 0.00 0.00 125 G 8.38 3.81 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 0.00 0.00 0.00 126 L 7.91 5.18 0.00 1.71 1.43 0.58 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.23 0.00 2.03 2.10 0.00 3.95 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 2.00 1.97 0.00 128 E 8.11 4.07 0.00 2.02 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 2.36 0.00 129 E 8.10 4.51 0.00 2.01 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 2.19 2.24 0.00 130 V 7.67 3.70 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 0.89 0.00 0.00 0.90 0.00 0.00 131 K 7.86 4.14 0.00 1.55 0.83 0.00 1.36 0.00 0.00 0.63 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.05 1.27 7.81 132 I 7.71 3.83 2.07 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 1.52 0.56 1.17 0.00 0.00 133 A 8.00 4.11 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 0.00 134 E 8.38 3.94 0.00 2.22 2.37 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 2.44 2.43 0.00 135 A 8.59 4.11 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 0.00 0.00 0.00 0.00 0.00 136 Y 8.41 4.09 0.00 3.24 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 0.00 137 Q 8.61 4.07 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 138 M 8.27 4.00 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 139 L 7.97 3.91 0.00 1.66 1.57 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.82 3.99 0.00 1.86 1.77 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.13 7.81 141 K 7.90 4.00 0.00 1.85 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 142 Q 8.14 4.29 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.82 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 143 G 7.83 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 0.00 144 I 7.74 3.66 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.93 0.00 0.00 145 V 7.35 3.63 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.45 0.00 0.00 146 K 8.48 4.14 0.00 1.76 1.68 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.59 7.81