NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A H 4.5712 8.4449 120.3504 56.2251 31.8554 174.2226 1B H 4.0899 7.7350 114.5810 55.1120 29.2919 174.0610 1C H 4.0752 9.3077 116.1808 57.0626 27.1060 173.5474 1D H 4.0882 8.2380 111.0922 57.1089 26.1096 174.3799 1E H 5.0689 8.0949 113.6304 53.8717 32.8431 173.1561 1F H 4.5945 8.9402 116.6653 56.0434 28.9049 174.4330 1G F 4.8997 8.4408 119.9284 57.8353 39.9432 174.7292 2 N 4.6101 8.4356 117.6571 52.4241 38.7379 174.6915 3 L 4.7536 8.0401 123.4862 52.1557 43.8645 174.7428 4 P 4.5197 0.0000 0.0000 61.5547 32.3569 174.1645 5 P 4.4031 0.0000 0.0000 62.1282 32.4827 174.8653 6 G 3.7815 8.7109 104.9522 44.6795 0.0000 171.7570 7 N 4.5377 7.8995 114.8607 51.5434 40.2506 173.9268 8 Y 4.8122 7.9969 114.0472 58.0243 38.4506 177.1408 9 K 4.0648 8.8846 125.0708 59.4859 32.1998 177.9143 10 K 4.7338 7.5778 116.8221 51.2620 35.4597 175.0421 11 P 4.7846 0.0000 0.0000 64.3306 32.2080 174.9190 12 K 4.8119 9.1962 118.5343 55.5391 37.5211 174.8979 13 L 4.8769 9.1560 121.3838 53.2142 44.5183 176.2730 14 L 5.0065 8.5844 123.3111 53.5213 42.9077 174.2155 15 Y 4.8663 9.4643 127.0704 56.8707 40.3280 173.5203 16 C 4.2459 9.0530 129.1958 57.9337 32.4062 173.9243 17 S 3.8780 8.0191 121.8851 61.5160 62.0690 174.6585 18 N 4.0933 7.7454 116.8393 56.3534 38.4267 175.1463 19 G 3.9190 7.5732 102.2085 44.4608 0.0000 172.6641 20 G 3.2345 7.9447 107.4880 46.2928 0.0000 173.3219 21 H 4.7403 7.4025 115.2126 53.9702 31.6275 173.9486 22 F 5.4622 8.7042 120.1485 55.6747 40.9014 175.2469 23 L 4.4460 9.1148 126.4312 55.6191 43.0396 175.5227 24 R 4.8468 9.7672 127.7023 54.6380 33.1236 174.2281 25 I 4.6763 8.1188 127.1598 59.3366 38.1727 175.5087 26 L 4.0289 8.9787 128.5554 53.6409 42.1139 177.1833 27 P 4.4316 0.0000 0.0000 65.4411 31.3357 176.8591 28 D 4.5414 8.0014 115.2344 53.4058 39.8647 177.1135 29 G 4.1553 8.7226 110.0100 45.3701 0.0000 173.8876 30 T 4.4694 8.2100 117.2687 63.1428 69.1919 173.8225 31 V 4.9153 8.0485 123.8061 61.2355 34.7213 174.4262 32 D 4.5948 8.8282 125.8856 52.9610 42.5880 173.9792 33 G 4.9758 8.5033 104.5230 45.2326 0.0000 172.2890 34 T 4.9895 8.4029 115.4040 60.4364 71.0097 174.5262 35 R 4.0601 8.8035 124.1861 56.9164 31.0242 176.3271 36 D 4.5169 8.2428 120.8348 54.4534 40.2479 177.4534 37 R 3.9225 8.7424 126.2887 58.3358 29.5597 174.7852 38 S 4.5577 8.8623 109.5735 58.6381 63.5658 174.0932 39 D 4.3843 7.9112 121.8187 55.0586 41.2789 175.7913 40 Q 4.3792 8.5396 123.6746 56.6273 29.2344 175.7861 41 H 4.8779 9.6256 116.0934 55.5351 29.3562 175.0912 42 I 4.4599 7.4375 111.2608 60.2091 38.3802 175.4249 43 Q 4.2343 7.7738 121.8094 55.6941 29.5691 174.6026 44 L 5.0955 8.8899 124.9875 52.7636 45.2701 175.5017 45 Q 4.7974 9.3449 125.3125 54.5899 30.5249 174.4728 46 L 5.2073 8.5974 126.7269 54.0073 43.6249 176.2585 47 S 4.4263 8.5681 114.9202 56.7664 66.9572 172.6025 48 A 4.7035 8.0235 123.8700 50.6355 19.4754 176.6174 49 E 4.0390 9.2607 124.9802 59.0558 30.0751 176.8243 50 S 4.7146 7.5032 112.2518 56.0515 67.2319 173.3369 51 V 3.7637 8.3731 121.3415 65.0831 31.3619 176.2947 52 G 3.9875 9.3062 115.7420 45.0163 0.0000 171.6137 53 E 5.2022 8.4394 120.3694 54.6840 31.9699 175.6869 54 V 5.4567 8.9743 116.7993 58.8758 36.7663 173.8664 55 Y 5.2864 8.4019 118.3881 56.5313 41.4338 175.3660 56 I 4.3122 8.5977 122.6295 59.6087 40.2081 173.8795 57 K 4.6787 8.5918 128.9409 54.0563 35.0074 175.0769 58 S 4.5839 8.8086 122.9150 58.3776 62.6085 174.9415 59 T 3.8566 8.6753 118.9070 64.8529 68.8102 176.0458 60 E 4.0152 8.4139 122.4418 58.9710 29.8461 177.3338 61 T 4.2363 8.5388 106.6699 61.1153 69.9376 175.7783 62 G 3.8288 8.3241 109.9959 45.0885 0.0000 173.5015 63 Q 4.4280 7.7284 119.3261 55.9869 30.1709 174.7025 64 Y 4.6505 9.2716 120.9825 56.3725 40.0452 175.0365 65 L 4.3707 9.1266 126.3686 55.4648 43.4440 175.5390 66 A 4.9881 8.8014 125.9978 51.1432 23.3368 174.5590 67 M 5.4233 8.5018 118.8254 53.7847 34.8964 175.4249 68 D 5.2249 9.7084 126.5991 52.7358 40.8348 176.9311 69 T 3.9709 8.6027 113.1804 65.1387 67.1766 173.9526 70 D 4.6995 8.4250 118.5284 53.9247 41.1835 176.9293 71 G 3.3524 8.6611 108.1348 45.4060 0.0000 173.1397 72 L 4.6085 8.3633 120.7842 53.4180 42.6342 176.0795 73 V 4.6826 8.3144 123.9425 62.9245 32.4409 174.3737 74 Y 5.0078 9.5094 125.5697 55.9418 42.2814 173.5510 75 G 4.2233 8.8070 107.5991 44.8809 0.0000 173.1801 76 S 5.0924 9.1156 121.8094 56.8149 63.8498 175.3821 77 Q 4.3564 9.0712 125.6794 58.1016 28.9830 176.3885 78 T 4.6892 7.4679 106.8730 58.5651 71.6398 171.7603 79 P 3.8520 0.0000 0.0000 62.3475 32.0970 175.1188 80 N 4.9662 8.2209 118.0940 51.1006 40.3082 174.6098 81 E 3.9619 8.7541 115.6836 59.1106 29.5997 177.7402 82 E 4.1647 8.9640 118.5305 57.4724 29.8172 177.4060 83 C 4.9159 7.9823 115.6597 59.3929 29.2052 173.5716 84 L 4.4071 7.2594 120.6955 53.8065 42.9441 175.7424 85 F 5.2403 9.0038 120.8820 55.7016 43.8250 174.3660 86 L 4.9540 9.1285 122.7942 53.6152 42.4258 175.4053 87 E 4.3485 8.8910 126.7536 55.4886 30.1045 175.8514 88 R 4.8277 8.5722 125.1390 54.0390 34.9706 174.4783 89 L 4.7056 8.7584 123.5049 55.1498 43.1150 175.8078 90 E 4.6770 9.1615 125.1628 55.2204 33.4640 175.0396 91 E 4.0026 9.6997 124.2541 57.7082 27.2959 174.0612 92 N 4.3160 8.4907 110.9103 54.0652 36.5651 174.0842 93 H 4.8016 8.5440 116.4361 57.5030 37.2009 173.2942 94 Y 4.7597 7.7911 116.0492 57.2187 40.4101 173.7862 95 N 5.5862 9.3720 118.3791 51.8922 41.2346 174.4775 96 T 5.2321 8.7565 113.1843 60.1117 72.6802 172.7597 97 Y 5.0837 8.7859 120.0409 56.6394 41.3224 174.1419 98 I 4.6706 8.4895 126.3077 59.3143 39.2699 175.5518 99 S 3.9946 9.2284 122.7954 58.7072 62.3983 174.1139 100 K 3.9089 8.5433 129.1106 59.3157 32.3257 178.6561 101 K 3.7104 7.8872 118.3625 59.2097 32.2367 176.9262 102 H 4.4980 7.9610 114.4367 55.0800 29.3593 176.3496 103 A 3.9324 7.6127 125.7854 55.2904 18.2356 180.9062 104 E 3.9576 7.9894 112.1702 58.7580 29.6491 177.7263 105 K 4.1486 7.5816 116.8684 55.4584 32.7143 175.7809 106 N 3.8019 7.6045 115.4878 53.8963 36.4916 174.6400 107 W 5.0698 7.6407 117.6863 55.9821 30.9572 177.2851 108 F 5.5005 9.1292 123.4556 55.5296 41.5403 175.1370 109 V 4.1665 8.9952 120.5543 62.6864 32.5942 175.0712 110 G 4.3623 8.5842 112.2788 45.3395 0.0000 171.5525 111 L 5.2455 8.3245 122.4806 52.5196 44.7126 177.0094 112 K 4.1414 8.9317 123.1614 55.3415 32.9929 178.3843 113 K 3.8962 8.4106 119.5982 59.2495 31.9428 177.9705 114 N 4.4991 8.0349 113.9316 52.9727 37.9252 175.8523 115 G 3.5161 8.4152 109.0902 45.0301 0.0000 172.8737 116 S 5.0067 8.0190 114.8685 56.6514 65.1831 173.9522 117 C 4.7771 8.6253 119.5685 60.1762 28.7286 173.1404 118 K 4.5297 8.6030 120.9090 54.9823 33.8155 176.5269 119 R 4.2316 8.5201 122.5104 55.6174 31.1485 177.5022 120 G 3.2190 8.3425 114.3612 48.2318 0.0000 174.3618 121 P 4.2978 0.0000 0.0000 64.3713 31.4914 177.9512 122 R 4.1788 7.8622 116.4181 57.4066 30.4119 176.6658 123 T 4.7056 7.4730 108.5378 60.9267 70.6615 173.6751 124 H 4.9295 8.7869 116.4754 54.7251 31.4935 172.9622 125 Y 4.2064 8.7715 118.7344 60.1067 38.0487 177.0468 126 G 4.1082 9.0803 111.8148 45.4943 0.0000 173.8494 127 Q 4.2735 7.2480 117.7895 54.9922 29.8471 176.4025 128 K 3.8546 8.3072 119.4541 58.7981 32.7914 179.3751 129 A 3.9629 8.0818 121.3371 53.9717 18.2886 178.6069 130 I 4.3046 7.0645 105.8384 60.6230 38.4907 175.4851 131 L 4.1994 7.1330 123.4214 54.2938 42.4478 175.9756 132 F 5.3798 9.3386 122.0421 55.6157 43.5445 174.0958 133 L 5.2457 9.4097 121.2270 52.4268 44.7891 173.9946 134 P 5.1813 0.0000 0.0000 62.4153 32.1960 175.5264 135 L 4.8949 9.1347 125.0898 51.9837 44.7717 174.5025 136 P 4.6550 0.0000 0.0000 62.3728 32.3431 177.0771 137 V 3.7241 8.1858 114.8530 61.7832 31.5719 176.2766 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 1A H 8.44 4.57 0.00 2.98 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1B H 7.73 4.09 0.00 3.18 3.22 0.00 5.82 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 1C H 9.31 4.08 0.00 3.34 3.42 0.00 6.05 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.24 4.09 0.00 3.27 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 8.09 5.07 0.00 3.36 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.94 4.59 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.44 4.90 0.00 2.94 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 2 N 8.44 4.61 0.00 2.97 2.80 0.00 0.00 6.90 6.74 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 3 L 8.04 4.75 0.00 1.48 1.41 0.59 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.16 2.15 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 5 P 0.00 4.40 0.00 2.16 2.07 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 6 G 8.71 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 0.00 0.00 0.00 7 N 7.90 4.54 0.00 2.64 2.67 0.00 0.00 5.87 7.55 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 8 Y 8.00 4.81 0.00 3.06 3.27 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 9 K 8.88 4.06 0.00 1.81 1.90 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.62 7.81 10 K 7.58 4.73 0.00 1.72 1.53 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.95 7.81 11 P 0.00 4.78 0.00 2.04 2.09 0.00 3.73 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 1.97 1.99 0.00 12 K 9.20 4.81 0.00 1.64 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.63 7.81 13 L 9.16 4.88 0.00 1.59 1.55 0.46 0.62 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 14 L 8.58 5.01 0.00 1.49 1.46 0.31 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.46 4.87 0.00 3.30 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 16 C 9.05 4.25 0.00 2.56 2.55 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 17 S 8.02 3.88 0.00 3.60 3.52 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 18 N 7.75 4.09 0.00 2.58 2.72 0.00 0.00 6.68 7.98 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 19 G 7.57 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 20 G 7.94 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 0.00 0.00 0.00 21 H 7.40 4.74 0.00 3.00 3.14 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.70 5.46 0.00 3.07 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 23 L 9.11 4.45 0.00 1.75 1.50 0.90 0.56 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 24 R 9.77 4.85 0.00 1.88 2.03 0.00 3.16 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 25 I 8.12 4.68 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.89 0.00 0.00 26 L 8.98 4.03 0.00 1.84 1.54 0.92 0.93 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 27 P 0.00 4.43 0.00 2.00 2.10 0.00 3.52 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 28 D 8.00 4.54 0.00 2.79 2.77 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 29 G 8.72 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 30 T 8.21 4.47 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 1.22 0.00 0.00 31 V 8.05 4.92 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 0.88 0.00 0.00 0.90 0.00 0.00 32 D 8.83 4.59 0.00 2.87 2.75 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 33 G 8.50 4.98 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 34 T 8.40 4.99 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 1.42 0.00 0.00 35 R 8.80 4.06 0.00 1.84 1.96 0.00 3.18 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 36 D 8.24 4.52 0.00 2.86 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 37 R 8.74 3.92 0.00 1.87 1.84 0.00 3.31 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 38 S 8.86 4.56 0.00 3.91 3.99 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 39 D 7.91 4.38 0.00 2.77 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 40 Q 8.54 4.38 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 41 H 9.63 4.88 0.00 3.26 3.46 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 42 I 7.44 4.46 1.87 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.99 0.00 0.00 43 Q 7.77 4.23 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 8.89 5.10 0.00 1.47 1.42 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.34 4.80 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 46 L 8.60 5.21 0.00 1.83 1.60 0.90 1.06 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 47 S 8.57 4.43 0.00 3.88 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 48 A 8.02 4.70 1.19 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 0.00 0.00 49 E 9.26 4.04 0.00 1.64 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 2.23 2.31 0.00 50 S 7.50 4.71 0.00 3.88 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 51 V 8.37 3.76 2.29 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 0.96 0.00 0.00 1.04 0.00 0.00 52 G 9.31 3.99 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 0.00 0.00 0.00 53 E 8.44 5.20 0.00 1.84 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 2.21 2.30 0.00 54 V 8.97 5.46 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 0.78 0.00 0.00 1.22 0.00 0.00 55 Y 8.40 5.29 0.00 2.98 3.02 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 56 I 8.60 4.31 1.68 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.58 0.65 0.00 0.00 57 K 8.59 4.68 0.00 1.20 1.34 0.00 1.26 0.00 0.00 1.05 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.95 0.56 7.81 58 S 8.81 4.58 0.00 3.84 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 59 T 8.68 3.86 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 1.16 0.00 0.00 60 E 8.41 4.02 0.00 1.99 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 2.25 2.37 0.00 61 T 8.54 4.24 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 1.24 0.00 0.00 62 G 8.32 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 63 Q 7.73 4.43 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 64 Y 9.27 4.65 0.00 2.91 2.96 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 65 L 9.13 4.37 0.00 1.63 1.44 0.79 0.28 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 66 A 8.80 4.99 0.60 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 67 M 8.50 5.42 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 68 D 9.71 5.22 0.00 2.92 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 69 T 8.60 3.97 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 1.26 0.00 0.00 70 D 8.42 4.70 0.00 2.70 2.64 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 71 G 8.66 3.35 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 0.00 72 L 8.36 4.61 0.00 2.11 1.64 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.31 4.68 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 0.85 0.00 0.00 1.01 0.00 0.00 74 Y 9.51 5.01 0.00 3.15 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 75 G 8.81 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 0.00 0.00 0.00 0.00 76 S 9.12 5.09 0.00 4.01 3.76 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 77 Q 9.07 4.36 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.47 4.69 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 1.22 0.00 0.00 79 P 0.00 3.85 0.00 1.67 0.56 0.00 3.52 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.35 0.00 80 N 8.22 4.97 0.00 2.91 2.92 0.00 0.00 6.00 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 81 E 8.75 3.96 0.00 2.03 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 0.00 2.26 2.28 0.00 82 E 8.96 4.16 0.00 2.28 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 0.00 2.37 2.34 0.00 83 C 7.98 4.92 0.00 3.25 3.29 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 84 L 7.26 4.41 0.00 1.32 1.28 0.75 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.00 5.24 0.00 3.12 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 86 L 9.13 4.95 0.00 1.56 1.65 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.89 4.35 0.00 2.16 1.94 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 2.18 1.89 0.00 88 R 8.57 4.83 0.00 1.80 1.82 0.00 3.16 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 89 L 8.76 4.71 0.00 1.72 1.68 0.94 0.72 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 90 E 9.16 4.68 0.00 2.16 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 2.27 2.42 0.00 91 E 9.70 4.00 0.00 2.41 2.15 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 2.29 2.39 0.00 92 N 8.49 4.32 0.00 2.83 2.88 0.00 0.00 6.86 8.16 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 93 H 8.54 4.80 0.00 2.83 2.91 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.79 4.76 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.37 5.59 0.00 3.04 2.61 0.00 0.00 6.95 7.31 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 96 T 8.76 5.23 4.44 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 0.00 0.00 0.00 1.31 0.00 0.00 97 Y 8.79 5.08 0.00 2.82 2.80 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 98 I 8.49 4.67 1.76 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.53 0.64 0.00 0.00 99 S 9.23 3.99 0.00 4.00 4.05 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 0.00 0.00 0.00 100 K 8.54 3.91 0.00 1.64 1.59 0.00 1.51 0.00 0.00 1.40 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.11 7.81 101 K 7.89 3.71 0.00 1.69 1.59 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.00 7.81 102 H 7.96 4.50 0.00 3.04 2.07 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.61 3.93 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 0.00 104 E 7.99 3.96 0.00 1.99 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 2.12 2.16 0.00 105 K 7.58 4.15 0.00 0.95 1.60 0.00 1.71 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.04 7.81 106 N 7.60 3.80 0.00 2.96 2.81 0.00 0.00 6.90 6.98 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 0.00 107 W 7.64 5.07 0.00 3.22 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 0.00 108 F 9.13 5.50 0.00 2.86 3.02 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 0.00 109 V 9.00 4.17 2.15 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 0.77 0.00 0.00 0.64 0.00 0.00 110 G 8.58 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 0.00 111 L 8.32 5.25 0.00 1.48 1.45 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.93 4.14 0.00 1.96 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.46 7.81 113 K 8.41 3.90 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.43 7.81 114 N 8.03 4.50 0.00 2.78 2.90 0.00 0.00 6.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.42 3.52 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 0.00 0.00 0.00 116 S 8.02 5.01 0.00 3.88 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 0.00 117 C 8.63 4.78 0.00 2.88 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 0.00 118 K 8.60 4.53 0.00 1.60 1.68 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.32 7.81 119 R 8.52 4.23 0.00 1.73 1.62 0.00 3.23 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.49 0.00 120 G 8.34 3.22 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 0.00 0.00 0.00 0.00 121 P 0.00 4.30 0.00 1.94 2.18 0.00 2.84 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 122 R 7.86 4.18 0.00 1.86 1.94 0.00 3.28 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 123 T 7.47 4.71 4.37 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 1.27 0.00 0.00 124 H 8.79 4.93 0.00 3.41 3.53 0.00 5.28 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.77 4.21 0.00 3.16 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 0.00 126 G 9.08 4.11 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 0.00 0.00 0.00 127 Q 7.25 4.27 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 128 K 8.31 3.85 0.00 1.77 1.64 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.27 7.81 129 A 8.08 3.96 1.18 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 0.00 0.00 130 I 7.06 4.30 1.48 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.56 0.00 0.00 131 L 7.13 4.20 0.00 1.01 0.49 0.33 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.34 5.38 0.00 3.35 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 0.00 133 L 9.41 5.25 0.00 1.91 1.69 1.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.18 0.00 2.15 2.20 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 135 L 9.13 4.89 0.00 1.61 1.61 0.99 0.91 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 0.00 136 P 0.00 4.65 0.00 1.92 1.97 0.00 3.67 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 2.01 2.11 0.00 137 V 8.19 3.72 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 0.60 0.00 0.00 0.90 0.00 0.00