NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4600 8.3044 120.3262 55.3909 32.5489 174.4706 2 E 3.9170 8.2760 122.9556 58.2959 30.4638 176.0833 3 Q 4.2319 7.9999 116.5350 55.4515 30.4223 174.6262 4 F 4.4254 8.5857 123.5471 56.6564 40.2686 173.6537 5 P 4.3029 0.0000 0.0000 62.0390 31.7933 176.3475 6 K 4.2574 8.4417 122.5372 56.2403 32.7692 176.2102 7 E 4.4806 8.6115 122.5884 55.0693 30.4783 175.9422 8 T 4.1573 8.3784 121.4516 62.9404 69.3554 174.2766 9 V 4.0411 8.1697 126.2516 61.4469 32.2305 175.3612 10 V 3.7520 8.3130 127.1805 63.6191 32.2366 175.5518 11 E 3.9706 8.9207 125.1912 57.5266 27.1149 176.7297 12 S 4.2033 7.6116 116.0220 61.5262 62.4547 175.4415 13 S 4.4153 8.0563 113.3444 59.6854 63.0913 174.6815 14 G 4.0904 7.2243 107.9974 42.5450 0.0000 169.3118 15 P 4.2215 0.0000 0.0000 62.5845 32.2649 177.4429 16 K 4.1176 8.4746 124.7381 55.3626 31.2245 175.7893 17 V 3.7771 8.0205 126.4117 61.9911 32.1696 175.6800 18 L 4.1395 8.4453 127.3813 54.4682 41.1314 176.4042 19 E 4.5410 8.5052 123.9099 54.4193 30.8682 176.9573 20 T 4.3097 8.3821 120.6767 62.4054 70.8007 175.9200 21 A 4.1875 8.3569 124.6762 55.5952 18.4527 180.1708 22 E 3.8537 8.0675 116.5778 59.4489 29.6661 179.2073 23 E 4.0414 8.0319 118.1121 59.5411 29.5474 179.4217 24 I 3.7152 9.0342 120.1172 64.3879 37.1445 178.2436 25 Q 3.8852 8.8754 121.5301 59.1716 28.7020 178.2185 26 E 3.9370 9.0308 120.7159 59.5550 29.5605 179.3705 27 R 3.9129 8.0357 118.6668 59.2414 30.1360 178.4417 28 R 3.8780 8.5755 119.2509 59.5535 30.2139 178.4737 29 Q 4.0014 8.2758 117.9003 58.9460 28.6158 178.4666 30 E 3.9591 8.0067 120.2565 59.2852 29.6750 178.9895 31 V 3.6579 7.8551 118.2561 66.0055 31.4381 177.9265 32 L 4.0278 7.8894 118.5059 58.2507 41.1988 179.7307 33 T 3.9490 7.8775 115.1890 66.6080 68.3980 176.7689 34 R 3.9790 8.4823 121.0688 59.5835 30.1341 177.8241 35 Y 4.2064 8.7198 119.8575 60.8294 38.7765 177.9116 36 Q 4.0470 8.1724 120.5770 59.3254 29.0811 178.2565 37 S 4.8812 7.7858 115.1724 60.8925 62.3663 176.1508 38 F 3.8950 8.1460 120.4086 60.5120 38.7441 177.7478 39 K 3.8877 8.0213 118.0165 59.4828 31.3020 179.1777 40 E 3.9688 8.5068 119.1676 59.5253 29.4725 179.6967 41 R 3.9032 8.1981 118.4520 59.1125 29.8132 179.1891 42 V 3.5791 7.8987 117.9185 65.8968 31.2639 177.8798 43 A 4.0048 7.6845 119.2770 55.3035 18.3064 179.0726 44 E 4.0442 7.6308 115.1730 59.6449 29.5795 179.4128 45 R 4.3781 7.7725 117.0076 58.2498 30.6261 176.3398 46 G 3.9828 7.4228 106.4662 43.9378 0.0000 171.9251 47 Q 4.1574 8.0125 125.7888 54.8966 29.3584 176.1988 48 K 4.0900 8.6199 123.3460 55.8989 32.7401 174.6895 49 L 3.5654 8.5656 126.9159 55.3966 40.5243 173.0993 50 E 4.4497 8.6610 129.5934 56.3361 37.1100 177.7024 51 D 4.5717 9.2627 128.2725 52.8408 40.5808 177.3255 52 S 4.4322 8.4552 120.9526 58.0634 63.8031 175.1827 53 Y 4.3926 8.5283 121.5917 60.2002 37.5665 178.1845 54 H 4.0388 7.4308 118.2291 58.7555 28.7729 177.2686 55 L 3.9955 7.7065 120.8454 58.0744 41.3913 179.6863 56 Q 4.1899 8.1172 117.4678 58.7451 28.6363 178.7317 57 V 3.6231 8.3381 119.8512 66.0302 31.6138 177.8215 58 F 4.0654 9.2051 121.6170 61.1836 39.0629 176.9414 59 K 3.9776 8.6061 119.6985 59.5946 31.9002 179.0322 60 R 3.9437 8.6363 119.0086 59.3149 29.8841 178.7252 61 D 4.2460 8.3577 118.9229 57.2023 40.7908 178.6405 62 A 3.8045 7.6837 121.2498 55.2574 18.2874 179.5177 63 D 4.3088 7.8440 117.4446 57.6561 40.8606 178.7048 64 D 4.3428 8.4209 119.7495 57.0865 40.5313 178.5989 65 L 4.1874 8.6397 121.9278 58.3110 42.0592 179.4444 66 G 3.6736 8.1265 105.5607 47.4462 0.0000 175.5512 67 K 3.9634 8.7051 122.4765 59.1975 32.1146 178.6278 68 W 4.1673 9.2005 129.6976 60.6664 30.6003 178.0212 69 I 3.7187 8.0251 119.6899 64.6439 36.4807 178.2834 70 M 4.0836 8.3724 119.8661 58.2762 31.6123 178.8056 71 E 3.8496 8.1269 118.7034 59.3946 29.6758 179.5182 72 K 3.7270 7.2944 118.7824 59.2027 32.0008 179.8952 73 V 3.5985 8.2923 119.8691 64.7840 31.2748 178.2987 74 N 4.3120 8.4154 117.5715 56.0648 38.3742 177.2646 75 I 4.2422 7.8878 121.6426 63.5462 37.7920 177.9014 76 L 3.9503 7.8799 119.5964 58.1685 41.7512 179.3611 77 T 4.0252 8.3882 115.9838 66.4437 68.4101 176.5795 78 D 4.6910 8.7568 121.8142 57.3969 41.0115 179.0076 79 K 4.1775 8.3505 119.1182 59.9349 32.1570 179.3015 80 S 4.1772 7.7238 116.0024 61.6747 62.7460 175.7311 81 Y 4.1914 7.6380 118.6298 59.8469 37.9743 176.4144 82 E 4.6642 7.3547 113.0313 55.0336 32.6694 174.4908 83 D 4.7856 8.3658 120.3954 51.7384 41.6100 174.4849 84 P 4.3415 0.0000 0.0000 63.1970 31.9813 177.2954 85 T 4.0223 8.4843 118.6757 66.4947 69.0539 175.2007 86 N 4.5899 7.9860 119.7715 52.8155 39.4282 176.0479 87 I 3.8187 8.4716 124.7599 64.4225 37.2609 178.1408 88 Q 4.1469 8.2188 120.0957 58.9171 28.6307 178.6359 89 G 3.5986 7.7231 106.1107 47.8057 0.0000 175.8664 90 K 4.0096 8.0539 121.1074 59.1774 32.1198 178.6225 91 Y 3.9959 8.0658 119.7466 60.6893 38.8079 177.8860 92 Q 4.2934 8.4314 122.0283 58.6436 29.2683 178.4385 93 K 3.9284 7.8591 119.5238 59.6736 31.8330 178.6852 94 H 4.0195 7.5913 117.3267 59.2616 29.6952 176.9742 95 Q 4.2380 7.5740 121.0153 58.5378 28.6084 179.0104 96 S 4.1913 7.8451 115.6961 61.7088 62.8948 176.8152 97 L 4.5631 7.7471 122.0228 56.4926 41.2473 179.1022 98 E 3.8301 8.0477 119.8521 59.2290 29.5045 178.6596 99 A 4.1596 7.9525 120.3264 55.1452 18.3992 179.2508 100 E 4.0922 8.1418 116.7856 59.5199 29.5918 179.7083 101 V 3.8902 8.7121 118.6104 66.4181 31.5767 178.1498 102 Q 4.0955 8.0966 117.3272 59.2421 28.5924 179.0512 103 T 3.8758 8.5742 117.2867 66.5093 68.5224 176.6322 104 K 3.6402 8.7966 122.6594 59.5074 32.0296 178.8893 105 S 3.6241 7.9082 115.3609 61.4189 62.6098 176.6629 106 R 3.8058 7.6335 121.4752 59.3945 29.6858 178.5502 107 L 3.5075 7.5546 118.2231 57.9748 41.4190 179.4632 108 M 3.6575 7.6384 118.8137 58.1241 31.7731 178.9681 109 S 4.0150 7.9315 115.4267 61.5268 62.9851 176.3169 110 E 3.9250 8.8692 123.0080 59.2485 29.3693 178.7441 111 L 3.9730 8.7135 120.2807 57.7194 41.5597 179.1743 112 E 3.9184 8.4141 119.3813 59.2993 29.6395 178.9827 113 K 3.9385 8.1363 118.5138 59.7962 32.0850 179.3857 114 T 4.5209 8.4869 117.9856 66.0887 68.1336 176.5191 115 R 3.6692 7.7055 119.6698 59.4447 30.1702 177.9624 116 E 3.9824 7.7295 117.6587 59.1240 29.9710 178.2174 117 E 3.7771 8.4562 119.1394 58.1140 29.5584 177.5213 118 R 3.9949 7.0036 118.1596 56.2598 30.6609 176.1608 119 F 4.3032 8.4097 122.3751 57.0195 39.7326 175.9666 120 T 4.0529 8.1587 116.4872 62.8569 68.6900 175.1243 121 M 3.5623 9.1140 121.2244 56.0801 30.0820 177.9037 122 G 4.2564 7.3625 106.4669 43.9115 0.0000 173.9808 123 H 4.1995 8.2073 118.9515 58.8574 29.4508 177.8932 124 S 4.1496 8.1385 115.4798 61.4887 62.9043 176.2616 125 A 4.0457 7.6927 123.2671 54.7319 17.9271 179.1457 126 H 4.0071 8.1722 117.2692 59.4408 29.9405 177.2361 127 E 3.9736 8.0464 120.1119 59.5468 29.3051 179.2479 128 E 4.0142 8.1223 118.0618 59.6651 29.5795 179.4392 129 T 4.0128 7.8491 115.6833 66.5854 68.5106 176.9023 130 K 3.9281 8.1827 120.2994 59.4487 32.0743 179.3177 131 A 4.1272 8.0802 121.0613 55.2911 18.3950 179.0986 132 H 4.1294 8.3358 116.8490 59.5242 29.9138 177.3935 133 I 3.6440 7.9136 120.4062 64.0247 37.7035 177.6572 134 E 3.9648 8.1769 119.5291 59.4952 29.3907 179.2570 135 E 4.0329 8.3439 118.6084 59.3425 29.5068 179.3781 136 L 4.0489 7.7679 118.6454 57.7419 41.5703 179.5029 137 R 3.9488 8.2125 118.8279 59.6132 29.8598 178.0826 138 H 4.2128 8.1446 117.9368 59.2426 30.0302 177.0782 139 L 3.9807 7.9585 121.7694 57.8257 41.8540 178.6611 140 W 4.2180 9.0265 128.7621 60.5718 30.6251 177.6307 141 D 4.4167 8.7180 119.2892 57.2363 40.2004 178.4913 142 L 3.8747 7.6226 120.8216 58.1654 42.0436 178.7933 143 L 3.7727 7.7108 119.7572 57.8510 41.9432 178.5953 144 L 3.7723 7.8800 120.4654 58.1588 41.9521 178.5694 145 E 3.9100 8.4992 119.5656 59.2796 29.5381 178.7349 146 L 4.0226 8.4111 119.5152 58.0673 41.6605 179.7187 147 T 3.8319 8.4710 116.4639 66.6504 68.4193 176.8357 148 L 4.0094 8.5045 121.2441 57.6394 41.7109 179.1653 149 E 4.0459 8.7703 120.2900 59.1743 29.6035 179.1032 150 K 4.1358 8.1650 119.0390 59.9597 32.6298 179.3774 151 G 3.4794 8.0250 106.9252 47.3741 0.0000 175.3366 152 D 4.3738 7.8268 120.3973 57.5958 40.9552 178.6828 153 Q 4.1442 7.4744 116.2413 58.8156 28.7458 178.4791 154 L 4.1951 7.8160 119.3090 56.1031 41.9286 177.5905 155 L 3.9566 7.5860 121.6309 55.8204 42.5902 176.8667 156 R 4.1453 8.5726 123.6511 56.8704 30.1295 175.9445 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.46 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 2 E 8.28 3.92 0.00 2.02 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 2.32 2.41 0.00 3 Q 8.00 4.23 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 4 F 8.59 4.43 0.00 2.97 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 5 P 0.00 4.30 0.00 1.76 1.80 0.00 2.39 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 6 K 8.44 4.26 0.00 1.76 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 7 E 8.61 4.48 0.00 2.01 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 2.25 2.37 0.00 8 T 8.38 4.16 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 9 V 8.17 4.04 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 0.77 0.00 0.00 0.95 0.00 0.00 10 V 8.31 3.75 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 0.90 0.00 0.00 0.93 0.00 0.00 11 E 8.92 3.97 0.00 2.23 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 2.30 2.28 0.00 12 S 7.61 4.20 0.00 4.10 3.89 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 13 S 8.06 4.42 0.00 3.90 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 14 G 7.22 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 0.00 0.00 0.00 0.00 15 P 0.00 4.22 0.00 2.19 2.08 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 16 K 8.47 4.12 0.00 1.74 1.81 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 17 V 8.02 3.78 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 0.94 0.00 0.00 0.99 0.00 0.00 18 L 8.45 4.14 0.00 1.68 1.63 0.92 0.88 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 19 E 8.51 4.54 0.00 1.90 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 2.19 2.28 0.00 20 T 8.38 4.31 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 1.24 0.00 0.00 21 A 8.36 4.19 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 22 E 8.07 3.85 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 23 E 8.03 4.04 0.00 2.24 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 2.40 2.41 0.00 24 I 9.03 3.72 1.90 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 1.41 1.00 0.91 0.00 0.00 25 Q 8.88 3.89 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 26 E 9.03 3.94 0.00 2.16 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 2.33 2.48 0.00 27 R 8.04 3.91 0.00 1.98 2.11 0.00 3.11 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 28 R 8.58 3.88 0.00 2.04 2.08 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 29 Q 8.28 4.00 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 30 E 8.01 3.96 0.00 2.00 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 2.35 2.35 0.00 31 V 7.86 3.66 2.25 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 1.08 0.00 0.00 0.99 0.00 0.00 32 L 7.89 4.03 0.00 1.96 1.72 0.91 0.63 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 33 T 7.88 3.95 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 1.24 0.00 0.00 34 R 8.48 3.98 0.00 2.08 2.28 0.00 3.25 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.77 0.00 35 Y 8.72 4.21 0.00 3.22 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 36 Q 8.17 4.05 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 37 S 7.79 4.88 0.00 3.87 3.89 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 38 F 8.15 3.89 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.02 3.89 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.59 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.98 1.48 7.81 40 E 8.51 3.97 0.00 2.05 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 2.32 2.54 0.00 41 R 8.20 3.90 0.00 1.99 1.93 0.00 2.83 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 42 V 7.90 3.58 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 0.96 0.00 0.00 1.00 0.00 0.00 43 A 7.68 4.00 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 44 E 7.63 4.04 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 45 R 7.77 4.38 0.00 2.01 2.00 0.00 3.35 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 1.88 1.80 0.00 46 G 7.42 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 0.00 0.00 0.00 47 Q 8.01 4.16 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 48 K 8.62 4.09 0.00 1.73 1.74 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 49 L 8.57 3.57 0.00 1.73 1.64 0.91 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 50 E 8.66 4.45 0.00 1.87 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 51 D 9.26 4.57 0.00 2.79 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 52 S 8.46 4.43 0.00 4.09 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 53 Y 8.53 4.39 0.00 3.16 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 54 H 7.43 4.04 0.00 3.07 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.71 4.00 0.00 1.82 1.76 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.12 4.19 0.00 2.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 57 V 8.34 3.62 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 1.09 0.00 0.00 1.13 0.00 0.00 58 F 9.21 4.07 0.00 3.14 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 59 K 8.61 3.98 0.00 2.02 2.01 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 60 R 8.64 3.94 0.00 2.05 1.97 0.00 3.37 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 61 D 8.36 4.25 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.68 3.80 1.29 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 0.00 0.00 63 D 7.84 4.31 0.00 2.82 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 64 D 8.42 4.34 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.64 4.19 0.00 1.78 1.81 0.97 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.71 3.96 0.00 1.99 2.02 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.49 7.81 68 W 9.20 4.17 0.00 3.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.72 2.14 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.15 0.96 0.00 0.00 70 M 8.37 4.08 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 71 E 8.13 3.85 0.00 1.92 1.81 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 2.27 2.53 0.00 72 K 7.29 3.73 0.00 1.41 1.52 0.00 0.61 0.00 0.00 1.17 0.00 0.00 2.61 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.94 0.40 7.81 73 V 8.29 3.60 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 0.83 0.00 0.00 0.91 0.00 0.00 74 N 8.42 4.31 0.00 2.94 2.89 0.00 0.00 6.68 7.35 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 75 I 7.89 4.24 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 2.41 0.89 0.00 0.00 76 L 7.88 3.95 0.00 1.71 1.67 0.85 0.75 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 77 T 8.39 4.03 4.49 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 1.23 0.00 0.00 78 D 8.76 4.69 0.00 2.81 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 79 K 8.35 4.18 0.00 1.98 2.08 0.00 1.30 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.44 7.81 80 S 7.72 4.18 0.00 3.91 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 81 Y 7.64 4.19 0.00 3.11 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 82 E 7.35 4.66 0.00 2.11 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 2.27 2.31 0.00 83 D 8.37 4.79 0.00 2.66 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 84 P 0.00 4.34 0.00 2.04 2.01 0.00 3.69 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 2.04 2.14 0.00 85 T 8.48 4.02 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 86 N 7.99 4.59 0.00 2.76 2.75 0.00 0.00 7.15 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 87 I 8.47 3.82 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.92 0.00 0.00 88 Q 8.22 4.15 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 89 G 7.72 3.60 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 0.00 90 K 8.05 4.01 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.52 7.81 91 Y 8.07 4.00 0.00 3.03 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 92 Q 8.43 4.29 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 93 K 7.86 3.93 0.00 1.96 1.80 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 94 H 7.59 4.02 0.00 2.90 3.24 0.00 5.96 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 95 Q 7.57 4.24 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 96 S 7.85 4.19 0.00 4.00 3.89 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 97 L 7.75 4.56 0.00 1.73 1.56 0.79 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.05 3.83 0.00 1.95 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 2.30 2.28 0.00 99 A 7.95 4.16 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 0.00 100 E 8.14 4.09 0.00 2.46 2.88 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 2.51 2.64 0.00 101 V 8.71 3.89 2.35 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 1.11 0.00 0.00 1.13 0.00 0.00 102 Q 8.10 4.10 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 103 T 8.57 3.88 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 104 K 8.80 3.64 0.00 1.06 1.58 0.00 1.19 0.00 0.00 1.07 0.00 0.00 3.02 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.61 0.70 7.81 105 S 7.91 3.62 0.00 4.03 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 0.00 106 R 7.63 3.81 0.00 1.78 2.05 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 107 L 7.55 3.51 0.00 1.77 1.55 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 M 7.64 3.66 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 109 S 7.93 4.01 0.00 3.95 3.86 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 0.00 110 E 8.87 3.93 0.00 1.98 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 2.31 2.41 0.00 111 L 8.71 3.97 0.00 1.67 1.74 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.41 3.92 0.00 2.06 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 2.32 0.00 113 K 8.14 3.94 0.00 2.02 1.81 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.63 7.81 114 T 8.49 4.52 4.58 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 1.41 0.00 0.00 115 R 7.71 3.67 0.00 1.75 2.10 0.00 3.11 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 116 E 7.73 3.98 0.00 1.91 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 2.22 2.27 0.00 117 E 8.46 3.78 0.00 2.01 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 2.16 2.43 0.00 118 R 7.00 3.99 0.00 1.57 1.83 0.00 3.04 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 119 F 8.41 4.30 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.16 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 121 M 9.11 3.56 0.00 2.23 2.20 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 2.50 2.53 0.00 122 G 7.36 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 0.00 0.00 0.00 0.00 123 H 8.21 4.20 0.00 3.23 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.14 4.15 0.00 4.06 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 0.00 125 A 7.69 4.05 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 0.00 126 H 8.17 4.01 0.00 3.12 3.58 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 0.00 127 E 8.05 3.97 0.00 2.25 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 2.38 2.52 0.00 128 E 8.12 4.01 0.00 2.17 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 2.41 2.41 0.00 129 T 7.85 4.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 130 K 8.18 3.93 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.49 7.81 131 A 8.08 4.13 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 0.00 132 H 8.34 4.13 0.00 3.43 3.59 0.00 5.79 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 0.00 133 I 7.91 3.64 1.92 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 1.46 1.08 1.00 0.00 0.00 134 E 8.18 3.96 0.00 2.23 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 2.33 2.57 0.00 135 E 8.34 4.03 0.00 2.17 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 2.35 2.55 0.00 136 L 7.77 4.05 0.00 1.79 1.66 0.59 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.21 3.95 0.00 1.92 2.12 0.00 3.07 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 138 H 8.14 4.21 0.00 3.27 3.51 0.00 5.84 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 0.00 139 L 7.96 3.98 0.00 1.91 1.92 0.96 0.88 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 0.00 140 W 9.03 4.22 0.00 3.61 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 0.00 141 D 8.72 4.42 0.00 2.93 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 0.00 142 L 7.62 3.87 0.00 1.61 1.82 0.90 0.49 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 0.00 143 L 7.71 3.77 0.00 1.78 1.70 0.75 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.88 3.77 0.00 1.31 1.70 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.50 3.91 0.00 2.07 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 2.29 2.34 0.00 146 L 8.41 4.02 0.00 1.82 1.63 0.90 0.79 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 0.00 147 T 8.47 3.83 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 1.19 0.00 0.00 148 L 8.50 4.01 0.00 1.80 1.71 0.92 0.90 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 0.00 149 E 8.77 4.05 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 150 K 8.16 4.14 0.00 2.00 2.01 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.34 7.81 151 G 8.03 3.48 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 0.00 0.00 0.00 152 D 7.83 4.37 0.00 2.87 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 0.00 153 Q 7.47 4.14 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 154 L 7.82 4.20 0.00 1.88 2.02 0.96 0.88 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 0.00 155 L 7.59 3.96 0.00 1.72 1.82 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.57 4.15 0.00 1.98 1.87 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00