NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.4875 8.1749 110.9397 62.0914 70.9774 173.6894 13 N 4.3073 8.1601 122.4419 53.2929 42.8236 175.6244 14 L 4.3976 9.4735 120.1563 56.4493 39.9056 172.7324 15 L 4.3168 8.4058 121.4760 53.9407 42.7946 176.7035 16 Y 4.2966 8.3559 122.4959 57.9876 39.4828 174.9514 17 T 3.9756 6.7728 118.3321 60.8086 70.1010 173.6393 18 R 3.8304 8.1065 125.5789 57.1053 30.0923 176.0899 19 N 4.1910 7.5985 117.5018 53.7765 38.5094 173.7412 20 D 4.2718 9.0966 125.3744 58.0383 41.6133 176.6656 21 V 3.1814 6.7123 115.6221 59.6238 32.6252 176.2960 22 S 4.2882 8.6186 122.3443 58.5456 64.9654 175.1695 23 D 4.3804 8.7041 123.5026 57.1308 40.4252 178.8477 24 S 4.0684 7.9647 113.9423 61.6017 62.5615 175.8083 25 E 4.0526 8.1393 121.2058 59.0145 29.2357 179.1922 26 K 3.9031 8.3560 119.2791 59.6140 32.0138 179.1913 27 K 3.9739 8.0899 117.6270 59.4278 32.0460 179.3670 28 A 3.9642 7.7917 120.6719 55.4861 18.3877 179.8227 29 T 3.7589 8.4535 114.4252 66.9282 68.6279 176.8739 30 V 3.6514 8.2307 120.4383 66.2038 31.2488 177.7493 31 E 3.9041 8.0014 118.7929 58.9056 29.3650 178.2298 32 L 3.9114 7.8117 120.3443 58.2107 42.1309 178.8811 33 L 3.9718 8.2766 118.9837 58.1199 41.7596 179.2685 34 N 4.4301 8.0647 116.0535 56.3174 38.4191 177.5032 35 R 3.9295 7.7273 119.9534 59.3997 30.1107 178.5585 36 Q 4.1115 7.7440 117.8456 58.8620 28.6429 178.5327 37 V 3.5415 8.1248 119.7323 66.2106 31.4860 178.0048 38 I 3.6989 7.5769 118.6613 64.4452 36.9868 178.0528 39 Q 3.9324 8.0246 120.0346 59.3176 28.8624 178.4473 40 F 3.8017 9.2221 119.2145 60.6624 39.0206 177.4909 41 I 3.7306 8.1620 119.7190 64.7903 36.9460 177.9960 42 D 4.3508 8.1762 118.6170 57.1341 41.0485 178.0212 43 L 3.8811 7.8395 121.2552 57.6897 42.0281 179.1605 44 S 4.1288 8.1312 114.7195 61.3741 63.0710 176.5165 45 L 3.9466 7.7435 122.3283 57.4508 41.3405 179.4953 46 I 3.4630 7.7968 119.7474 64.4703 36.9169 178.5974 47 T 3.7875 7.7063 116.5049 66.7058 68.3222 176.9431 48 K 3.3748 7.5217 119.5920 58.8183 31.6536 179.5325 49 Q 3.9028 7.3344 118.3152 58.8380 28.5011 178.6931 50 A 3.7300 7.4625 121.6754 55.1308 18.1664 178.7105 51 H 3.9035 7.8310 116.1448 59.6330 29.8398 177.0350 52 W 4.5963 7.7473 118.8897 59.3674 29.0849 177.5180 53 N 4.9453 7.8944 113.2378 52.4499 38.6507 175.1687 54 M 4.8516 7.2389 118.6774 55.1771 32.7740 175.5921 55 R 4.3825 9.0444 117.6392 55.8451 34.5688 173.8319 56 G 3.9956 8.7095 103.5275 43.9925 0.0000 172.7371 57 A 4.0577 8.5336 122.2128 53.6548 18.8093 177.0822 58 N 4.1648 8.9879 119.1113 54.6212 37.1086 175.9589 59 F 4.1736 7.4444 117.2075 60.3195 39.2660 175.6532 60 I 3.0361 7.8298 116.8280 64.2029 37.8419 177.8085 61 A 3.8053 7.7517 120.5855 55.1766 18.2681 179.6571 62 V 3.3202 7.3553 116.7022 65.9421 31.3509 177.4953 63 H 3.8186 8.1111 117.6269 59.5014 29.9410 176.7626 64 E 3.8976 7.9726 120.0764 59.3399 29.2477 178.7393 65 M 3.5547 7.7536 118.3412 58.6204 32.0106 178.2998 66 L 3.6118 7.5265 118.8342 57.7270 41.8661 179.1882 67 D 4.2230 7.7291 118.4289 56.9523 40.4818 179.2078 68 G 3.3742 7.3698 105.9593 47.6700 0.0000 175.7578 69 F 4.0536 7.3101 120.1986 60.1333 38.8990 177.3050 70 R 3.9701 8.2288 118.4850 59.9481 29.9012 178.4500 71 T 3.8639 7.8260 114.5228 66.7341 68.5126 176.4218 72 A 4.1029 8.0033 122.3893 54.9764 18.3851 179.0784 73 L 4.2085 8.8006 119.2730 58.9534 42.1058 179.5707 74 I 3.7862 8.1929 119.4610 64.2142 36.9283 178.3658 75 D 4.3166 7.9974 119.7829 57.6016 40.6110 178.4461 76 H 4.0956 8.2774 116.7019 58.6017 28.6220 177.2834 77 L 3.6627 8.0241 122.3766 58.4708 41.8188 178.6381 78 D 4.2776 8.2818 117.7445 57.6839 41.2155 178.3582 79 T 3.8417 7.7976 116.3010 66.6930 68.3811 176.7336 80 M 3.9335 8.1851 120.5350 58.2033 32.1865 178.4310 81 A 3.9406 8.0454 121.1074 55.5192 18.5993 179.6365 82 E 4.0057 8.3631 116.5256 59.0014 29.2235 179.5470 83 R 3.8778 7.5328 117.9852 58.9604 30.3761 178.0765 84 A 4.0749 7.9521 120.7064 55.3099 18.4878 179.6708 85 V 3.8182 7.5206 117.6271 65.7069 31.2170 178.2101 86 Q 4.0266 7.7584 116.9778 58.5100 28.5731 177.7044 87 L 4.4195 7.5034 117.4641 54.5628 42.1036 177.8321 88 G 3.9238 8.2022 109.5555 45.0799 0.0000 174.8054 89 G 4.1051 7.5649 108.3328 44.6889 0.0000 171.9701 90 V 4.2526 8.0147 118.3914 60.5040 33.5905 175.7471 91 A 4.1328 8.7153 130.9361 52.1875 18.7078 176.1691 92 L 4.6647 9.3921 124.0933 53.2816 42.8051 176.9801 93 G 4.2087 8.4116 111.5175 44.7229 0.0000 172.6508 94 T 4.1858 7.8298 110.5189 61.1326 71.0628 174.8174 95 T 3.8901 8.5038 115.9842 65.5390 66.8187 176.1205 96 Q 3.9576 8.0236 119.6904 58.9541 29.0349 178.3610 97 V 3.6141 7.5453 117.7299 66.2510 31.3209 178.3518 98 I 3.6953 7.7668 119.3294 64.4559 36.9106 177.8205 99 N 4.3155 7.9877 116.3643 57.0846 38.6729 175.6160 100 S 4.3691 7.7434 114.1265 59.3263 62.4711 174.5116 101 K 4.7715 7.9690 120.7355 55.7865 33.7157 177.3388 102 T 4.1454 7.5690 116.6374 60.6807 66.0495 173.0654 103 P 4.5570 0.0000 0.0000 63.3556 31.0249 175.8999 104 L 4.6132 7.6431 119.5522 52.8395 43.0240 176.5593 105 K 4.0316 8.8159 123.6020 56.6433 32.4177 176.3777 106 S 3.9570 8.4440 117.5618 57.8634 63.3565 172.9009 107 Y 4.2066 8.6776 128.5144 55.8057 39.3851 172.6807 108 P 4.3994 0.0000 0.0000 63.6085 31.3726 175.6067 109 L 4.7324 8.5773 122.9989 54.6222 41.6082 176.8007 110 D 4.8341 7.8271 116.7339 52.4066 40.8093 175.9145 111 I 3.9870 7.5290 113.1977 61.2481 38.6414 175.1091 112 H 4.9728 8.5240 116.0597 56.7021 32.1222 173.8021 113 N 4.7739 8.1152 116.3719 53.6002 40.6143 175.3474 114 V 3.6615 8.3645 126.2905 66.5844 31.7586 178.5224 115 Q 4.1675 8.2225 117.0825 59.1540 28.4923 178.6990 116 D 4.2908 7.9650 119.2366 57.7714 40.9399 178.1931 117 H 4.5463 8.0972 117.7262 58.3208 28.7470 177.5739 118 L 4.0522 8.5009 121.0350 58.0806 41.5454 179.9129 119 K 3.9859 8.0715 117.9400 59.5082 32.1280 179.2885 120 E 3.9456 8.2825 118.7826 59.3392 29.3504 179.4556 121 L 4.2331 8.9277 119.1770 57.9786 41.6987 179.1103 122 A 4.0418 8.6694 120.9966 55.5966 18.1964 179.4562 123 D 4.3048 8.1827 116.8726 57.7494 41.1322 179.1529 124 R 3.9847 7.9960 118.0049 59.5872 30.0857 178.8860 125 Y 3.7097 8.9440 116.5904 60.8088 37.8821 178.1376 126 A 4.0202 8.3730 121.9633 55.2973 18.3731 179.5363 127 I 3.5663 7.7828 118.0715 64.6856 37.1924 178.7721 128 V 3.4096 7.5346 118.0301 65.8573 31.2784 177.6659 129 A 3.8630 8.4056 120.6752 55.4445 18.1255 179.2244 130 N 4.2329 8.6215 114.8363 56.4548 38.6446 177.1943 131 D 4.3439 8.3423 119.6932 57.4186 41.2378 178.6294 132 V 4.1271 7.8865 120.2270 64.3403 30.9738 177.8743 133 R 3.9926 8.1681 119.3374 59.2011 29.4229 178.6437 134 K 4.0718 7.8471 118.1573 59.0027 31.9529 179.1359 135 A 3.7475 8.0858 121.0004 54.6241 18.2764 179.5862 136 I 3.6582 7.4457 118.0520 64.7174 37.2592 178.6769 137 G 3.7207 7.4233 106.6524 47.3615 0.0000 173.9270 138 E 4.0688 7.6658 119.4137 56.7933 30.0047 175.7024 139 A 4.5100 7.4097 121.6842 51.3278 19.8925 177.3314 140 K 4.0222 8.7574 123.4220 59.4351 32.6162 178.0113 141 D 4.3447 7.9909 118.9975 54.2106 41.9513 175.8592 142 D 4.3568 8.8123 127.3624 57.7577 40.9407 178.4226 143 D 4.3566 8.1900 118.4184 58.0174 40.9396 179.0709 144 T 3.8239 7.7535 114.6194 66.5123 68.2825 176.6353 145 A 3.9848 8.2446 123.0308 54.8713 18.3248 179.0444 146 D 4.2174 8.1619 116.5608 57.6293 41.3605 178.3252 147 I 3.6560 7.7869 120.1978 64.7384 37.1814 178.4536 148 L 3.9858 7.9377 119.3472 57.8793 41.2956 179.8383 149 T 3.7887 8.0639 115.7850 66.4275 68.3973 176.4017 150 A 3.9403 8.1312 122.5585 55.2668 18.4345 179.5836 151 A 3.2922 7.8706 119.0941 54.9664 18.3488 179.6506 152 S 3.9433 8.4469 111.9526 61.6309 62.2462 176.0535 153 R 3.7894 8.4738 121.6428 59.9023 29.5814 178.0929 154 D 4.0071 7.7150 117.7558 57.1220 40.7911 178.7476 155 L 3.6088 7.5889 119.4247 57.8034 41.5790 179.3566 156 D 4.4690 8.1526 118.9452 57.0645 40.6953 178.8043 157 K 4.0789 7.6250 120.1526 59.4246 32.2155 179.0526 158 F 3.9824 8.1421 118.4412 60.2502 38.7515 177.1257 159 L 3.8551 8.3683 120.4248 58.1695 41.7318 178.7841 160 W 4.4304 8.2221 127.9341 60.6878 30.3563 177.9123 161 F 4.0847 7.7469 116.4197 60.5282 38.6495 177.3882 162 I 3.8535 8.2700 119.7077 64.5792 36.9839 178.1566 163 E 4.0046 8.6422 119.5775 59.7958 29.1954 179.6646 164 S 4.3295 8.3019 113.4007 60.5525 62.9159 175.3035 165 N 4.7904 7.8020 117.6091 52.2450 38.9681 174.9425 166 I 4.1357 7.1873 122.6958 60.4655 37.5522 175.8764 167 E 4.1419 9.3808 125.1292 56.8658 29.2359 176.9739 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 12 T 8.17 4.49 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 1.21 0.00 0.00 13 N 8.16 4.31 0.00 2.75 2.39 0.00 0.00 7.16 6.97 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 14 L 9.47 4.40 0.00 1.72 1.99 1.04 1.00 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 15 L 8.41 4.32 0.00 1.63 1.62 0.98 0.67 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 16 Y 8.36 4.30 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 6.77 3.98 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 1.05 0.00 0.00 18 R 8.11 3.83 0.00 1.76 1.92 0.00 3.26 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 19 N 7.60 4.19 0.00 2.62 2.67 0.00 0.00 7.00 7.86 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 20 D 9.10 4.27 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 21 V 6.71 3.18 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 0.85 0.00 0.00 0.95 0.00 0.00 22 S 8.62 4.29 0.00 4.08 3.98 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 D 8.70 4.38 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 24 S 7.96 4.07 0.00 3.88 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 25 E 8.14 4.05 0.00 1.99 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 2.32 2.34 0.00 26 K 8.36 3.90 0.00 1.92 1.92 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.70 7.81 27 K 8.09 3.97 0.00 1.82 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 28 A 7.79 3.96 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 29 T 8.45 3.76 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 1.19 0.00 0.00 30 V 8.23 3.65 2.21 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 0.98 0.00 0.00 0.95 0.00 0.00 31 E 8.00 3.90 0.00 2.20 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 2.30 2.45 0.00 32 L 7.81 3.91 0.00 1.80 1.81 0.95 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.28 3.97 0.00 1.65 1.65 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.06 4.43 0.00 2.94 2.89 0.00 0.00 6.76 7.67 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 35 R 7.73 3.93 0.00 2.01 2.07 0.00 3.11 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 1.64 1.67 0.00 36 Q 7.74 4.11 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 37 V 8.12 3.54 2.21 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 1.12 0.00 0.00 0.89 0.00 0.00 38 I 7.58 3.70 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.93 0.00 0.00 39 Q 8.02 3.93 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 40 F 9.22 3.80 0.00 3.14 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 41 I 8.16 3.73 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.94 0.00 0.00 42 D 8.18 4.35 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.84 3.88 0.00 1.62 1.51 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.13 4.13 0.00 4.10 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 45 L 7.74 3.95 0.00 1.86 1.76 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.80 3.46 1.96 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 1.52 0.71 0.71 0.00 0.00 47 T 7.71 3.79 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 1.27 0.00 0.00 48 K 7.52 3.37 0.00 1.33 0.74 0.00 1.17 0.00 0.00 1.05 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.40 7.81 49 Q 7.33 3.90 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 50 A 7.46 3.73 1.21 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 0.00 0.00 51 H 7.83 3.90 0.00 2.84 2.89 0.00 5.95 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 52 W 7.75 4.60 0.00 3.55 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 53 N 7.89 4.95 0.00 2.81 3.03 0.00 0.00 7.09 8.73 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 54 M 7.24 4.85 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.81 0.00 55 R 9.04 4.38 0.00 1.83 1.68 0.00 3.02 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.58 0.00 56 G 8.71 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 0.00 0.00 0.00 57 A 8.53 4.06 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 58 N 8.99 4.16 0.00 2.92 2.85 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 59 F 7.44 4.17 0.00 3.25 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 60 I 7.83 3.04 1.91 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 1.54 0.95 0.87 0.00 0.00 61 A 7.75 3.81 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 62 V 7.36 3.32 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 0.90 0.00 0.00 0.91 0.00 0.00 63 H 8.11 3.82 0.00 2.00 2.82 0.00 6.00 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 64 E 7.97 3.90 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 65 M 7.75 3.55 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.39 0.00 66 L 7.53 3.61 0.00 1.69 1.54 0.88 0.87 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 67 D 7.73 4.22 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.37 3.37 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 0.00 69 F 7.31 4.05 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.23 3.97 0.00 1.82 2.03 0.00 3.00 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 71 T 7.83 3.86 4.42 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 1.28 0.00 0.00 72 A 8.00 4.10 1.72 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 73 L 8.80 4.21 0.00 2.15 1.88 1.04 1.05 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 74 I 8.19 3.79 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 1.57 0.70 0.94 0.00 0.00 75 D 8.00 4.32 0.00 2.82 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 76 H 8.28 4.10 0.00 3.31 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.02 3.66 0.00 1.90 1.84 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.28 4.28 0.00 2.82 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 79 T 7.80 3.84 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 1.18 0.00 0.00 80 M 8.19 3.93 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 81 A 8.05 3.94 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 82 E 8.36 4.01 0.00 2.07 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 2.31 2.39 0.00 83 R 7.53 3.88 0.00 1.91 2.10 0.00 3.28 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 84 A 7.95 4.07 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 85 V 7.52 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 1.15 0.00 0.00 0.99 0.00 0.00 86 Q 7.76 4.03 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 87 L 7.50 4.42 0.00 1.73 1.66 0.90 1.03 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 88 G 8.20 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 89 G 7.56 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 90 V 8.01 4.25 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 0.85 0.00 0.00 0.93 0.00 0.00 91 A 8.72 4.13 1.24 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 0.00 0.00 0.00 92 L 9.39 4.66 0.00 1.65 1.61 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.41 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 0.00 0.00 0.00 0.00 94 T 7.83 4.19 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 95 T 8.50 3.89 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 1.23 0.00 0.00 96 Q 8.02 3.96 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 97 V 7.55 3.61 2.20 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 1.04 0.00 0.00 0.94 0.00 0.00 98 I 7.77 3.70 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.14 0.93 0.00 0.00 99 N 7.99 4.32 0.00 2.87 2.89 0.00 0.00 7.31 7.24 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 0.00 100 S 7.74 4.37 0.00 3.92 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 0.00 101 K 7.97 4.77 0.00 1.81 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 102 T 7.57 4.15 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 1.24 0.00 0.00 103 P 0.00 4.56 0.00 2.21 2.14 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 104 L 7.64 4.61 0.00 1.83 1.65 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.82 4.03 0.00 1.76 1.77 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 106 S 8.44 3.96 0.00 3.87 3.80 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 0.00 107 Y 8.68 4.21 0.00 3.05 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 0.00 108 P 0.00 4.40 0.00 2.06 1.92 0.00 2.82 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.59 0.00 109 L 8.58 4.73 0.00 1.71 1.80 0.99 1.21 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 0.00 110 D 7.83 4.83 0.00 2.73 2.72 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 0.00 111 I 7.53 3.99 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.27 0.79 0.00 0.00 112 H 8.52 4.97 0.00 3.19 3.33 0.00 5.63 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 0.00 113 N 8.12 4.77 0.00 2.86 2.91 0.00 0.00 6.82 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 0.00 114 V 8.36 3.66 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 0.90 0.00 0.00 1.17 0.00 0.00 115 Q 8.22 4.17 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 116 D 7.97 4.29 0.00 2.92 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 0.00 117 H 8.10 4.55 0.00 3.46 3.49 0.00 5.65 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 0.00 118 L 8.50 4.05 0.00 2.00 1.77 0.93 0.97 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 0.00 119 K 8.07 3.99 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 120 E 8.28 3.95 0.00 2.17 1.74 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 2.39 2.09 0.00 121 L 8.93 4.23 0.00 1.96 1.73 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.67 4.04 1.41 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 0.00 0.00 123 D 8.18 4.30 0.00 3.00 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 0.00 124 R 8.00 3.98 0.00 2.00 2.01 0.00 3.37 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 125 Y 8.94 3.71 0.00 3.11 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 0.00 126 A 8.37 4.02 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 0.00 127 I 7.78 3.57 2.01 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 1.40 0.84 0.88 0.00 0.00 128 V 7.53 3.41 1.69 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 0.50 0.00 0.00 0.74 0.00 0.00 129 A 8.41 3.86 1.41 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 0.00 0.00 130 N 8.62 4.23 0.00 2.76 2.88 0.00 0.00 6.78 8.11 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 0.00 131 D 8.34 4.34 0.00 2.78 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 0.00 132 V 7.89 4.13 2.26 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 1.22 0.00 0.00 1.05 0.00 0.00 133 R 8.17 3.99 0.00 1.97 2.10 0.00 3.05 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 134 K 7.85 4.07 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.67 7.81 135 A 8.09 3.75 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.45 3.66 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.33 0.89 0.00 0.00 137 G 7.42 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 0.00 138 E 7.67 4.07 0.00 1.99 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 2.29 2.24 0.00 139 A 7.41 4.51 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 0.00 140 K 8.76 4.02 0.00 1.79 1.96 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 141 D 7.99 4.34 0.00 2.72 2.54 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 0.00 142 D 8.81 4.36 0.00 2.71 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 0.00 143 D 8.19 4.36 0.00 2.86 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 0.00 144 T 7.75 3.82 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 1.18 0.00 0.00 145 A 8.24 3.98 1.41 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 0.00 0.00 146 D 8.16 4.22 0.00 2.90 2.86 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 0.00 0.00 0.00 147 I 7.79 3.66 1.98 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 1.49 0.81 0.84 0.00 0.00 148 L 7.94 3.99 0.00 1.83 1.69 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.06 3.79 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 1.18 0.00 0.00 150 A 8.13 3.94 1.41 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 0.00 0.00 151 A 7.87 3.29 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 0.00 152 S 8.45 3.94 0.00 3.88 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.47 3.79 0.00 2.00 2.02 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 154 D 7.72 4.01 0.00 2.64 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 0.00 0.00 0.00 155 L 7.59 3.61 0.00 1.65 1.56 0.50 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.15 4.47 0.00 2.64 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 0.00 157 K 7.62 4.08 0.00 1.87 1.90 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.08 1.49 7.81 158 F 8.14 3.98 0.00 2.84 1.70 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 0.00 159 L 8.37 3.86 0.00 1.85 1.96 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 160 W 8.22 4.43 0.00 3.39 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 0.00 161 F 7.75 4.08 0.00 3.28 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.27 3.85 1.93 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.91 0.00 0.00 163 E 8.64 4.00 0.00 2.27 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 0.00 2.38 2.55 0.00 164 S 8.30 4.33 0.00 3.77 3.87 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 0.00 0.00 0.00 165 N 7.80 4.79 0.00 2.78 2.80 0.00 0.00 7.00 7.60 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 0.00 166 I 7.19 4.14 2.04 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 1.32 0.67 0.97 0.00 0.00 167 E 9.38 4.14 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00