NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4502 8.3044 118.1960 55.1103 32.5574 174.2410 1 V 4.2449 7.9379 118.4948 60.6601 34.2366 173.6575 2 L 4.3201 8.3645 127.4675 53.9449 43.5895 176.8432 3 S 4.5597 8.4728 117.4203 57.6544 65.5237 175.0514 4 E 4.3283 8.7495 121.3732 59.3478 29.3268 178.6673 5 G 3.6238 8.0918 105.4813 47.5118 0.0000 175.5634 6 E 3.8469 7.9105 120.9624 59.2023 29.4988 179.1881 7 W 4.3210 7.8200 118.9272 59.9637 29.0712 178.6176 8 Q 4.1110 8.4906 117.9284 59.1460 28.1008 178.7749 9 L 4.0799 7.9376 119.9182 57.8940 41.6066 179.8979 10 V 3.7852 7.8564 118.1891 65.7432 31.6180 177.5793 11 L 4.4723 8.5944 117.6732 56.4087 41.4710 178.3493 12 H 4.4004 8.3939 119.4384 58.7252 29.9665 177.1332 13 V 3.7374 7.8509 120.4957 63.7489 31.5539 178.1995 14 W 3.9692 8.5548 129.3830 60.1623 30.3008 177.7741 15 A 4.0243 8.0627 120.0304 54.6938 18.0157 179.5185 16 K 3.9513 7.2788 117.5112 59.4312 32.1659 179.4754 17 V 2.8662 7.1971 118.4601 65.8092 31.0442 177.4433 18 E 3.9328 7.5068 115.1481 57.6865 29.2868 178.3341 19 A 4.2754 7.6235 121.1078 53.4665 19.9973 177.3960 20 D 4.6037 7.8462 116.7608 51.8391 41.9152 175.5908 21 V 3.4952 7.8984 122.8587 65.2529 32.0009 176.8820 22 A 4.1206 7.9611 120.3804 54.8726 18.2760 179.7497 23 G 3.7522 8.1804 105.6312 47.8579 0.0000 175.7514 24 H 4.1631 8.3246 119.2651 58.4097 28.6756 178.2426 25 G 3.5943 8.5509 108.0334 47.4858 0.0000 175.6523 26 Q 3.8001 8.1224 121.7739 59.2157 29.0915 177.8039 27 D 4.3288 7.9025 119.8648 57.5137 40.8027 179.1051 28 I 3.6250 7.6689 119.8822 64.5044 37.0906 178.5165 29 L 3.4551 7.6392 119.6545 57.6026 41.2256 179.8257 30 I 3.7064 7.6468 119.7595 64.2769 37.0521 178.2844 31 R 3.7817 8.0665 119.7892 59.2517 29.7366 178.3675 32 L 3.8973 7.8800 120.0756 58.3456 42.0560 179.1093 33 F 4.6378 8.0987 117.8795 60.2385 38.4940 178.0091 34 K 4.0261 8.2053 118.0401 59.3703 32.0711 179.2749 35 S 4.3132 7.9517 114.0509 60.5266 63.8687 174.8597 36 H 4.6781 8.2145 122.0001 52.5423 29.0222 172.4086 37 P 4.7312 0.0000 0.0000 64.2896 31.5299 177.6730 38 E 4.0707 8.2593 116.6617 59.4381 29.4284 178.9814 39 T 3.8478 8.3505 110.9078 64.0582 68.7894 176.2242 40 L 3.8361 8.1052 123.6758 57.8128 41.7708 178.5240 41 E 4.0715 7.9958 117.5982 58.9972 29.4310 178.8203 42 K 4.4356 8.1931 117.1774 57.1130 32.7005 177.0590 43 F 4.5159 8.2002 119.1731 55.5566 38.1384 176.1602 44 D 4.4177 8.3548 126.6848 56.5071 41.0187 179.1355 45 R 4.0118 7.7536 118.6084 57.9799 30.4639 176.6254 46 F 5.0201 7.6574 114.6436 57.1918 40.6458 177.5921 47 K 4.0318 7.5761 122.5411 59.7184 32.0976 177.1011 48 H 4.3282 8.2128 112.5685 57.5257 28.9142 175.4424 49 L 3.9230 7.3158 120.7573 55.3239 41.5961 176.8521 50 K 4.2428 9.6713 124.1419 57.3308 33.2580 176.9689 51 T 4.6783 7.4412 107.6231 59.1870 72.9782 174.3286 52 E 3.9154 8.5413 120.2582 59.0956 29.4628 178.3654 53 A 3.9693 7.8986 120.7040 54.9275 18.2838 179.2629 54 E 3.9036 7.8858 116.4068 59.8131 29.8388 179.0086 55 M 4.1240 8.1494 118.7446 58.5420 31.8394 179.0921 56 K 4.0083 8.2012 117.0641 58.6408 32.2650 178.4056 57 A 4.5055 7.3437 119.2507 51.5549 19.3285 177.0545 58 S 4.1735 7.4965 113.7918 57.7476 62.8271 174.4422 59 E 3.9401 8.8971 129.2466 59.1219 29.4792 177.7691 60 D 4.3975 8.1774 117.7732 57.5828 41.3104 177.8588 61 L 3.1928 7.8734 120.5456 57.9676 41.9655 178.9412 62 K 3.9190 7.7290 119.5195 59.2159 32.1329 179.0234 63 K 4.0166 8.0352 119.0210 59.7566 31.9654 178.8241 64 H 4.4711 8.5592 118.7377 59.0009 29.8066 177.4694 65 G 3.6161 8.2802 107.8527 47.7533 0.0000 175.8282 66 V 3.6146 7.7411 120.3141 66.0368 31.5652 178.0952 67 T 3.8903 7.9846 115.4615 66.7700 68.3191 176.5533 68 I 3.7170 7.8299 121.4183 64.5985 37.1411 178.6637 69 L 4.2883 8.0741 119.6036 57.8281 41.3830 179.8569 70 T 3.9601 8.3377 116.0610 66.6628 68.3093 176.7045 71 A 4.0441 8.0776 122.7243 54.9651 18.2604 179.4893 72 L 3.7729 8.2018 119.1935 57.9527 42.1699 179.3239 73 G 3.3703 8.5187 105.8613 47.7642 0.0000 175.5728 74 A 4.0446 7.7649 122.0510 54.6250 18.5823 179.5964 75 I 3.8382 7.2660 118.6464 64.4110 37.2755 178.4864 76 L 3.9712 7.8743 120.1706 57.6819 41.2416 179.5251 77 K 4.0221 7.6826 116.3555 58.3362 32.2127 178.8927 78 K 3.9503 7.8342 119.2100 56.5692 31.8271 177.3981 79 K 2.0000 7.6741 117.0505 57.1263 29.5452 176.2798 80 G 4.0465 7.9713 108.5225 46.3652 0.0000 175.4262 81 H 4.8628 7.7486 118.5690 54.1330 27.2291 174.6979 82 H 5.1669 7.1063 112.1086 54.1440 30.0356 176.6054 83 E 3.9193 8.3684 121.3416 59.8658 29.0635 179.1637 84 A 4.0136 7.8732 118.5789 55.3577 19.2331 178.8955 85 E 4.0613 8.2740 116.6352 59.6123 29.4179 179.3380 86 L 3.9015 8.1399 120.3386 57.8791 42.0899 178.6627 87 K 3.8835 7.8470 118.9449 59.5426 32.1299 177.3085 88 P 4.3046 0.0000 0.0000 65.5746 31.4115 178.1382 89 L 4.0781 7.5089 118.9868 57.8775 41.9142 178.7505 90 A 4.2076 8.3760 121.1121 55.0847 18.3721 179.3575 91 Q 3.9029 8.3691 118.5082 59.4271 29.0900 178.7497 92 S 4.0698 8.2331 115.2645 61.6245 63.1217 176.0263 93 H 4.1231 8.6978 119.3400 57.8783 27.9692 177.1783 94 A 2.9072 8.3356 122.7063 53.3489 18.3436 178.9214 95 T 3.9251 7.3618 112.6764 64.6482 69.9174 175.8683 96 K 4.0310 7.4997 119.7367 58.8206 32.7748 177.1252 97 H 4.3695 7.8639 114.1405 55.7812 29.5424 175.2016 98 K 3.2947 6.8016 114.6788 56.8914 28.9671 174.3883 99 I 4.4209 8.0928 118.9935 58.4286 39.0398 174.6743 100 P 4.4667 0.0000 0.0000 62.2636 32.2188 177.1453 101 I 3.5760 8.6766 122.2343 64.8314 36.9375 177.9954 102 K 3.5544 8.0261 119.4934 60.0953 31.8133 177.9417 103 Y 4.2684 7.9519 116.0135 60.4062 37.9106 177.9026 104 L 4.2777 7.8044 119.8399 57.2512 41.8654 178.9922 105 E 4.0073 8.0231 118.8852 59.4840 29.4713 179.0618 106 F 4.4856 7.8710 117.8523 60.9488 38.9109 177.5793 107 I 3.9623 8.2031 117.5673 63.6470 37.7580 178.0911 108 S 4.2123 8.0323 116.1488 61.4454 62.6079 176.0833 109 E 4.0149 8.4859 122.0244 59.2675 29.3694 178.7631 110 A 4.0821 8.0594 120.8520 55.0604 18.3418 179.7683 111 I 3.7018 8.1480 118.7827 64.6881 37.1709 178.7367 112 I 3.8310 7.9021 120.7372 64.5317 36.9008 178.0634 113 H 4.1705 8.3596 119.3530 59.2035 29.7099 177.5929 114 V 3.5967 8.1011 120.3256 65.9091 31.2826 178.0771 115 L 3.8385 7.9330 118.9294 57.7878 41.0509 178.8687 116 H 4.3595 7.9733 117.4913 59.5594 29.8974 177.2681 117 S 4.1709 7.9724 115.9328 61.1454 62.7160 176.1406 118 R 4.1631 7.8516 119.3608 56.9296 31.5109 176.4326 119 H 5.0528 8.2715 115.7104 53.8251 29.3721 173.1289 120 P 4.3316 0.0000 0.0000 65.7852 31.6659 179.2615 121 G 3.6807 8.1260 106.7130 47.4572 0.0000 173.8098 122 N 5.0115 8.2221 115.3086 52.9121 39.2306 174.8417 123 F 4.9289 7.9569 119.2487 56.4933 39.6435 174.4582 124 G 3.8685 7.8098 108.3154 43.8700 0.0000 172.5583 125 A 3.8805 8.4007 120.7296 55.3801 18.2099 179.5928 126 D 4.1847 7.9555 116.4543 57.4964 40.9459 178.7289 127 A 3.9228 7.7912 120.7450 55.0643 18.2954 179.3139 128 Q 3.1870 7.9645 118.6306 58.8600 29.0586 178.6151 129 G 3.5051 8.0421 106.5938 47.7211 0.0000 175.4488 130 A 3.8582 7.9923 123.4076 54.9307 18.3160 179.3452 131 M 3.9466 8.1841 116.7760 58.7435 32.2883 177.7601 132 N 4.2827 8.3673 117.3493 56.8698 39.0365 176.7518 133 K 3.8337 8.0477 119.4129 59.5865 32.1039 179.2037 134 A 3.8364 8.0604 120.9982 54.9103 18.2200 179.6976 135 L 4.1151 8.2246 117.7942 57.8229 41.7046 179.3194 136 E 4.0601 8.5936 119.0670 59.2258 29.3321 179.2307 137 L 3.9530 8.3046 120.7262 58.0769 42.1558 178.6367 138 F 4.2074 8.4203 120.6446 61.6681 39.2088 177.3914 139 R 3.4717 8.5202 117.9442 58.7958 29.8582 179.0021 140 K 3.8847 8.3760 120.0637 59.4572 32.2099 178.7553 141 D 4.3416 8.2028 119.3319 57.2156 40.6536 178.7960 142 I 3.4368 7.6119 120.3254 64.1470 36.9899 178.2204 143 A 3.6910 7.9710 121.7316 55.1101 18.2376 179.5971 144 A 3.9695 7.8680 119.0365 55.1554 18.3417 180.0843 145 K 4.0148 8.0724 117.1579 59.6311 32.1138 179.0318 146 Y 4.3783 8.4441 117.5406 61.1732 37.8167 178.9331 147 K 3.9603 8.1362 119.1099 59.7203 32.0156 178.9929 148 E 3.9974 7.8408 116.9249 59.6743 29.5443 179.2077 149 L 4.2443 8.0961 117.0182 55.6065 41.8923 177.9605 150 G 4.0390 7.9663 106.6977 45.1014 0.0000 172.9098 151 Y 4.7348 7.5583 120.8444 56.6283 40.6214 174.6270 152 Q 4.0394 7.6496 128.1995 56.9015 33.2689 173.8493 153 G 3.6196 8.4372 105.3010 45.2038 0.0000 173.0052 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 0 M 8.30 4.45 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.94 4.24 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 0.90 0.00 0.00 0.95 0.00 0.00 2 L 8.36 4.32 0.00 1.14 0.73 0.64 -0.37 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 3 S 8.47 4.56 0.00 4.08 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 4 E 8.75 4.33 0.00 2.20 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 2.43 2.52 0.00 5 G 8.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.91 3.85 0.00 1.88 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 0.00 2.20 2.25 0.00 7 W 7.82 4.32 0.00 3.59 3.24 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 8 Q 8.49 4.11 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 9 L 7.94 4.08 0.00 1.88 1.76 0.92 0.86 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 10 V 7.86 3.79 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 1.17 0.00 0.00 0.91 0.00 0.00 11 L 8.59 4.47 0.00 1.84 1.80 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.39 4.40 0.00 3.41 3.53 0.00 5.77 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 13 V 7.85 3.74 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.89 0.00 0.00 14 W 8.55 3.97 0.00 3.64 3.16 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 15 A 8.06 4.02 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 16 K 7.28 3.95 0.00 1.53 1.68 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 V 7.20 2.87 1.04 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 -0.12 0.00 0.00 0.49 0.00 0.00 18 E 7.51 3.93 0.00 1.98 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 2.17 2.01 0.00 19 A 7.62 4.28 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 20 D 7.85 4.60 0.00 2.69 2.51 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 21 V 7.90 3.50 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 0.97 0.00 0.00 0.82 0.00 0.00 22 A 7.96 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.18 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 24 H 8.32 4.16 0.00 3.25 3.24 0.00 5.82 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 25 G 8.55 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.12 3.80 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 27 D 7.90 4.33 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 28 I 7.67 3.62 1.90 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 1.52 0.60 0.88 0.00 0.00 29 L 7.64 3.46 0.00 1.67 1.19 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.65 3.71 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.89 0.00 0.00 31 R 8.07 3.78 0.00 1.94 2.13 0.00 3.02 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 32 L 7.88 3.90 0.00 1.73 1.39 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.10 4.64 0.00 3.07 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 34 K 8.21 4.03 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.66 7.81 35 S 7.95 4.31 0.00 3.83 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.21 4.68 0.00 2.89 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.73 0.00 2.15 2.09 0.00 3.82 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 2.08 2.06 0.00 38 E 8.26 4.07 0.00 2.30 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 0.00 2.29 2.55 0.00 39 T 8.35 3.85 4.39 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 0.87 0.00 0.00 40 L 8.11 3.84 0.00 1.42 1.76 0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.00 4.07 0.00 2.28 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 0.00 2.38 2.48 0.00 42 K 8.19 4.44 0.00 1.88 1.75 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.74 1.98 7.81 43 F 8.20 4.52 0.00 3.21 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 44 D 8.35 4.42 0.00 2.73 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 45 R 7.75 4.01 0.00 1.50 1.22 0.00 3.08 0.00 0.00 2.93 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.48 0.00 46 F 7.66 5.02 0.00 2.83 2.82 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 0.00 0.00 0.00 47 K 7.58 4.03 0.00 2.11 1.89 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.46 7.81 48 H 8.21 4.33 0.00 3.29 3.49 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.32 3.92 0.00 1.57 1.58 0.83 0.56 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 50 K 9.67 4.24 0.00 1.76 1.83 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.56 7.81 51 T 7.44 4.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.54 3.92 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 A 7.90 3.97 1.31 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 0.00 0.00 0.00 54 E 7.89 3.90 0.00 2.11 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 2.34 2.34 0.00 55 M 8.15 4.12 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 56 K 8.20 4.01 0.00 1.91 1.84 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.41 7.81 57 A 7.34 4.51 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.50 4.17 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 3.94 0.00 2.13 1.95 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 2.39 2.43 0.00 60 D 8.18 4.40 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.87 3.19 0.00 1.13 1.53 0.72 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.92 0.00 1.76 1.92 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.04 4.02 0.00 2.09 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.77 7.81 64 H 8.56 4.47 0.00 3.56 3.47 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 65 G 8.28 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.74 3.61 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 1.12 0.00 0.00 0.95 0.00 0.00 67 T 7.98 3.89 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 1.27 0.00 0.00 68 I 7.83 3.72 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.99 0.97 0.00 0.00 69 L 8.07 4.29 0.00 1.75 1.83 0.90 0.73 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 70 T 8.34 3.96 4.43 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 1.25 0.00 0.00 71 A 8.08 4.04 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 72 L 8.20 3.77 0.00 1.72 1.64 0.23 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.52 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 74 A 7.76 4.04 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 75 I 7.27 3.84 1.85 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 1.53 0.67 0.86 0.00 0.00 76 L 7.87 3.97 0.00 1.33 1.54 -0.19 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 4.02 0.00 1.72 1.80 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.47 7.81 78 K 7.83 3.95 0.00 1.81 1.85 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.83 7.81 79 K 7.67 2.00 0.00 1.33 0.74 0.00 1.50 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.79 7.81 80 G 7.97 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 0.00 0.00 0.00 81 H 7.75 4.86 0.00 3.20 3.22 0.00 5.76 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 82 H 7.11 5.17 0.00 3.29 3.41 0.00 5.68 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 83 E 8.37 3.92 0.00 2.10 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 2.42 2.51 0.00 84 A 7.87 4.01 1.31 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 0.00 0.00 0.00 85 E 8.27 4.06 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 86 L 8.14 3.90 0.00 1.97 1.68 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.85 3.88 0.00 1.97 1.90 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 88 P 0.00 4.30 0.00 2.30 2.33 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 89 L 7.51 4.08 0.00 1.90 1.93 0.97 1.12 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 90 A 8.38 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.37 3.90 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.23 4.07 0.00 3.98 4.10 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 93 H 8.70 4.12 0.00 3.62 3.61 0.00 5.80 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 94 A 8.34 2.91 0.78 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 95 T 7.36 3.93 4.19 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 1.10 0.00 0.00 96 K 7.50 4.03 0.00 1.55 1.68 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.76 1.28 7.81 97 H 7.86 4.37 0.00 3.01 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.80 3.29 0.00 1.82 1.75 0.00 1.23 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.19 7.81 99 I 8.09 4.42 2.11 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 1.38 0.96 1.15 0.00 0.00 100 P 0.00 4.47 0.00 1.90 1.96 0.00 3.33 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 0.62 1.45 0.00 101 I 8.68 3.58 1.78 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 1.52 0.69 0.80 0.00 0.00 102 K 8.03 3.55 0.00 1.69 1.61 0.00 1.26 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 0.86 7.81 103 Y 7.95 4.27 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 0.00 104 L 7.80 4.28 0.00 1.80 1.76 0.72 1.15 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 0.00 105 E 8.02 4.01 0.00 2.08 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 2.32 2.48 0.00 106 F 7.87 4.49 0.00 3.21 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.20 3.96 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 1.09 0.00 0.00 108 S 8.03 4.21 0.00 4.26 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 0.00 109 E 8.49 4.01 0.00 2.18 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 2.38 2.41 0.00 110 A 8.06 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 0.00 111 I 8.15 3.70 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 1.03 0.00 0.00 112 I 7.90 3.83 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.73 1.14 0.00 0.00 113 H 8.36 4.17 0.00 3.32 3.46 0.00 5.78 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 0.00 114 V 8.10 3.60 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 0.91 0.00 0.00 1.00 0.00 0.00 115 L 7.93 3.84 0.00 0.41 0.68 0.77 0.69 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 0.00 116 H 7.97 4.36 0.00 3.51 3.62 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 0.00 117 S 7.97 4.17 0.00 3.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.85 4.16 0.00 1.62 1.60 0.00 3.10 0.00 0.00 2.94 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 119 H 8.27 5.05 0.00 3.18 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.21 2.27 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.13 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 0.00 122 N 8.22 5.01 0.00 2.82 2.94 0.00 0.00 6.67 7.48 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 0.00 123 F 7.96 4.93 0.00 2.96 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 0.00 124 G 7.81 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 0.00 0.00 0.00 125 A 8.40 3.88 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 0.00 126 D 7.96 4.18 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 0.00 127 A 7.79 3.92 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 0.00 128 Q 7.96 3.19 0.00 1.28 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 129 G 8.04 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 0.00 130 A 7.99 3.86 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 0.00 131 M 8.18 3.95 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 132 N 8.37 4.28 0.00 2.91 2.93 0.00 0.00 7.27 7.61 0.00 0.00 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 K 8.05 3.83 0.00 1.98 1.64 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 134 A 8.06 3.84 1.16 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 0.00 135 L 8.22 4.12 0.00 1.76 1.83 1.00 0.80 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 0.00 136 E 8.59 4.06 0.00 2.13 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 2.35 2.60 0.00 137 L 8.30 3.95 0.00 1.82 2.00 1.04 1.23 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 0.00 138 F 8.42 4.21 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.52 3.47 0.00 1.92 1.83 0.00 3.14 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.95 0.00 140 K 8.38 3.88 0.00 1.76 1.90 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.20 4.34 0.00 2.88 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 0.00 142 I 7.61 3.44 1.41 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.25 0.06 0.00 0.00 143 A 7.97 3.69 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 0.00 144 A 7.87 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 0.00 145 K 8.07 4.01 0.00 2.05 1.94 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.44 4.38 0.00 3.15 3.16 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 0.00 147 K 8.14 3.96 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.81 1.64 7.81 148 E 7.84 4.00 0.00 2.15 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 2.37 2.60 0.00 149 L 8.10 4.24 0.00 1.78 1.72 0.98 0.98 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 0.00 150 G 7.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.56 4.73 0.00 2.52 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.65 4.04 0.00 1.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 153 G 8.44 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00