NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.6678 8.4449 120.3865 55.9414 30.8934 172.3269 13 Q 4.0205 8.2905 125.2978 52.9908 30.7794 173.6859 14 A 4.2574 8.4326 127.6092 52.1014 19.8713 176.1223 15 I 3.5782 7.7452 117.3457 59.5813 39.0731 175.1654 16 S 4.6314 8.3922 116.7847 56.5612 64.4924 173.3540 17 P 4.2878 0.0000 0.0000 65.6448 30.9067 179.0508 18 R 3.9858 7.8236 116.3436 59.4112 30.4736 178.5042 19 T 3.9035 7.4647 114.2366 66.8043 68.3668 176.6359 20 L 4.1327 8.0413 120.6417 58.0446 41.7540 179.3673 21 N 4.3826 8.5805 116.4164 55.8273 38.3511 177.4653 22 A 3.9828 8.2029 122.6002 54.8616 18.5338 179.2206 23 W 4.3583 8.3150 126.8311 60.8653 30.7732 177.9549 24 V 3.3257 8.0181 118.0818 66.2939 30.6285 178.1826 25 K 3.9581 7.9246 116.5750 58.8836 31.9607 179.3645 26 V 3.5969 8.1126 119.1046 66.0699 31.2821 178.2885 27 V 2.9947 6.8205 116.4094 65.6836 31.2413 177.3189 28 E 3.8919 7.7292 118.1987 58.9123 29.7446 176.4154 29 E 4.2233 7.7940 118.6387 57.3127 30.3518 176.7870 30 K 3.8547 7.6240 115.8737 55.0082 32.6487 178.8252 31 A 3.4402 8.0959 124.6748 53.1775 18.0694 179.5792 32 F 5.0058 8.5201 118.1472 57.9137 40.1819 174.0557 33 S 4.6287 8.1671 116.2522 56.8521 64.8470 173.9629 34 P 4.4001 0.0000 0.0000 65.6678 30.7865 178.6898 35 E 4.1136 8.0027 116.8033 58.9931 29.1888 179.2826 36 V 3.8203 7.7933 119.1570 64.9634 31.1444 178.7102 37 I 3.8701 7.8629 119.8756 63.9523 37.1323 176.4013 38 P 4.3397 0.0000 0.0000 66.0829 31.1517 178.5629 39 M 4.1756 8.0776 117.1936 58.3829 31.7398 178.6240 40 F 3.9231 8.6853 121.1125 61.0985 39.2765 177.4031 41 S 3.9510 8.0741 113.9336 61.3613 63.0098 176.2437 42 A 4.0634 7.9824 123.2451 55.3009 18.0217 179.8057 43 L 4.0243 7.6411 115.8495 56.6364 41.8772 178.3179 44 S 4.4084 6.9706 113.0658 57.4714 63.1317 173.4840 45 E 4.0216 7.6818 120.8648 58.2130 29.3344 177.3956 46 G 3.8126 8.8585 110.5178 45.8393 0.0000 173.4973 47 A 4.1297 7.5591 122.8806 51.9038 19.1638 177.8273 48 T 4.4222 8.1400 111.3411 59.9474 71.7416 174.2879 49 P 4.4471 0.0000 0.0000 66.2324 31.3220 178.6025 50 Q 4.0155 8.5315 117.9679 59.2571 28.9390 178.1052 51 D 4.4024 8.0221 121.1630 56.7966 40.8213 178.5014 52 L 3.9275 8.0211 119.4625 58.2511 41.6860 179.6055 53 N 4.4823 8.7585 116.6017 56.3081 38.1652 177.5751 54 T 4.0546 7.9661 111.5293 64.7425 68.7878 176.9330 55 M 4.2550 8.0165 120.9236 58.3673 32.2886 178.4228 56 L 4.4393 8.3060 119.3009 57.8263 41.5861 179.0337 57 N 4.6109 8.3091 115.1303 55.5754 38.6333 176.6990 58 T 4.3613 7.5942 113.3795 62.8224 67.5873 174.3065 59 V 3.7158 7.5597 120.7558 62.4997 31.1310 175.3521 60 G 3.9350 8.5181 116.9591 45.4734 0.0000 174.7005 61 G 3.7272 8.4759 109.7410 45.8962 0.0000 173.5646 62 H 3.9960 8.8025 110.8629 55.8564 27.1632 176.4074 63 Q 3.9751 8.4476 120.8116 59.7718 28.8991 177.3760 64 A 4.0569 8.0544 120.6344 54.9714 18.3943 179.3477 65 A 3.9815 7.9556 118.9522 55.6366 18.5037 179.5461 66 M 3.9761 8.1325 117.1899 58.5543 31.8781 178.8299 67 Q 3.9836 8.0008 119.5446 59.1654 29.2241 177.8121 68 M 4.1772 8.1061 119.8641 58.2644 32.0165 178.3618 69 L 3.8849 8.1361 120.5667 58.1498 42.2540 179.0420 70 K 3.9509 8.1933 118.3717 59.7278 32.0321 178.8666 71 E 3.9828 8.5168 119.0086 59.9481 29.3704 179.8269 72 T 3.8249 7.9307 115.4255 66.6105 68.4906 176.7139 73 I 3.8399 8.2644 122.1022 64.7958 37.2336 178.2421 74 N 4.3043 8.6031 117.4539 56.1824 38.4038 177.4934 75 E 3.8721 8.0711 120.0226 59.4933 29.6628 179.1815 76 E 3.5272 8.2825 118.6947 58.9515 29.2455 179.3937 77 A 3.3599 7.5385 120.8061 54.7903 18.4084 179.5286 78 A 3.9529 7.9006 119.3323 55.2180 18.4088 179.5186 79 E 3.8326 7.9972 117.7087 58.9213 29.4378 178.9187 80 W 4.0711 7.8222 127.7782 60.4918 31.1775 177.2588 81 D 4.6442 8.4027 118.9280 57.6061 40.0905 178.8366 82 R 3.8695 7.8215 117.7108 59.0728 30.1479 177.5996 83 L 4.3877 7.4565 115.2547 54.2151 43.0953 177.0762 84 H 4.5864 7.4308 116.2022 52.1384 29.1883 170.7802 85 P 4.1606 0.0000 0.0000 62.4825 32.0894 176.5305 86 V 3.6775 8.2727 121.4058 62.3717 31.6612 175.8650 87 A 4.1155 8.5052 130.3179 51.6491 18.9613 176.6983 88 A 4.0142 8.4922 123.4878 52.4644 19.0176 177.3796 89 A 4.6917 8.2492 124.5275 49.8443 21.0662 174.9911 90 P 4.5894 0.0000 0.0000 61.7566 32.5812 176.1625 91 I 3.8670 8.1091 120.9371 60.5297 39.0314 175.4284 92 A 4.2107 8.3806 129.5614 51.1066 19.0366 175.5074 93 P 4.4251 0.0000 0.0000 63.9181 31.9068 176.4010 94 G 3.9921 8.8000 107.7516 46.4365 0.0000 173.2865 95 Q 4.7202 7.7905 116.3280 53.8017 31.9556 174.5755 96 M 4.5107 8.3248 119.7848 53.4267 33.8027 176.2371 97 R 4.2408 8.4545 121.9309 56.0990 30.2982 176.1907 98 E 4.3151 8.5359 118.7960 55.3742 30.2567 175.1487 99 P 4.1642 0.0000 0.0000 62.4761 32.0890 177.2691 100 R 4.6111 9.2312 122.0185 55.0015 32.4420 178.1819 101 G 3.7167 9.0767 106.2730 48.5109 0.0000 176.2788 102 S 4.1416 8.1033 117.3537 61.1942 62.8058 176.4941 103 D 4.3697 7.8224 121.3401 57.4093 40.4648 178.6526 104 I 3.3626 7.3648 119.1693 63.6719 37.0635 177.4537 105 A 2.5800 7.6992 119.0579 51.1735 18.4179 177.9457 106 G 3.9851 7.3516 105.7146 45.9537 0.0000 174.9341 107 T 4.3665 7.7531 110.3787 62.3743 69.5208 175.4709 108 T 4.7481 7.7259 111.4412 61.1650 69.6036 173.1826 109 S 4.9091 8.0128 115.1427 57.0801 66.4374 172.6566 110 T 4.6955 8.4692 111.8597 59.9330 71.8720 175.6721 111 L 3.8780 8.0969 122.3752 58.4234 42.0321 178.9033 112 Q 3.7998 7.8807 117.5057 58.7808 28.6907 178.2293 113 E 3.5480 8.1659 119.9328 59.3677 29.4456 179.2980 114 Q 4.3512 8.1247 118.0657 59.3710 28.8630 179.3304 115 I 3.7713 8.3841 121.2087 64.2948 37.1269 178.6673 116 G 3.6004 8.8023 107.6423 47.6582 0.0000 175.7799 117 W 4.5059 8.0287 121.4338 59.8590 28.8589 178.5726 118 M 4.1764 8.2152 117.8057 57.3938 31.6013 177.7384 119 T 4.4683 7.7641 108.2702 60.8830 69.7575 173.9981 120 H 4.1658 8.1636 122.0634 56.4345 30.4094 174.2613 121 N 4.7888 7.8886 119.8874 50.9512 39.4178 172.0277 122 P 4.6265 0.0000 0.0000 61.2068 32.5160 174.1836 123 P 4.9094 0.0000 0.0000 61.6729 32.9126 175.3581 124 I 4.3316 8.3379 121.4434 59.3285 38.0210 175.6510 125 P 4.5911 0.0000 0.0000 61.5026 28.6564 176.6301 126 V 3.3208 7.7403 119.4680 64.9058 31.9251 177.7433 127 G 3.8202 7.9266 106.2590 47.4002 0.0000 175.3967 128 E 3.9268 7.9437 119.5148 58.7488 29.8048 179.2137 129 I 3.5794 7.6981 120.0227 64.4817 37.0834 177.7892 130 Y 3.3387 7.4447 120.3207 60.3653 38.4748 178.0314 131 K 3.8143 8.0408 120.5294 59.4808 32.1842 179.0558 132 R 3.9676 7.7153 118.4119 58.9926 30.0152 178.9872 133 W 4.4697 7.8562 118.3294 59.8109 29.1167 178.3991 134 I 3.6049 8.0326 120.0182 64.5754 36.4813 178.6325 135 I 3.7611 7.9391 120.5643 64.0963 36.8770 178.4991 136 L 4.1077 8.1124 120.2231 57.8338 41.4761 179.8396 137 G 3.5939 8.2563 105.6162 47.6825 0.0000 175.6427 138 L 3.9485 8.4577 121.6804 57.7673 41.6428 179.3731 139 N 4.3567 8.4136 116.4528 56.0912 38.4080 177.2220 140 K 3.8967 8.1312 121.0221 59.6028 32.2424 178.9135 141 I 3.7102 7.6617 119.9441 64.3882 37.0032 178.6054 142 V 4.0318 8.2029 120.7017 65.5206 31.1913 178.2142 143 R 4.0332 7.9746 114.4137 58.7796 29.3840 178.3156 144 M 3.9989 7.5127 118.4057 58.6193 32.4819 177.1279 145 Y 4.2724 8.2431 114.2225 58.6893 38.5014 175.7751 146 S 4.2394 8.2017 119.8041 58.5550 63.3084 173.7021 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 H 8.44 4.67 0.00 3.08 3.29 0.00 5.83 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 13 Q 8.29 4.02 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 14 A 8.43 4.26 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 15 I 7.75 3.58 1.85 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 1.34 0.65 0.85 0.00 0.00 16 S 8.39 4.63 0.00 4.01 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 17 P 0.00 4.29 0.00 2.18 2.19 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 18 R 7.82 3.99 0.00 1.82 1.96 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 19 T 7.46 3.90 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 1.21 0.00 0.00 20 L 8.04 4.13 0.00 1.89 1.79 0.96 0.66 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 21 N 8.58 4.38 0.00 2.77 2.88 0.00 0.00 6.96 6.67 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 22 A 8.20 3.98 1.50 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 0.00 0.00 23 W 8.32 4.36 0.00 3.38 3.30 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 24 V 8.02 3.33 2.32 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 0.92 0.00 0.00 0.99 0.00 0.00 25 K 7.92 3.96 0.00 1.89 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.40 7.81 26 V 8.11 3.60 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 0.95 0.00 0.00 1.06 0.00 0.00 27 V 6.82 2.99 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 0.02 0.00 0.00 -0.65 0.00 0.00 28 E 7.73 3.89 0.00 1.92 1.91 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 2.24 2.23 0.00 29 E 7.79 4.22 0.00 2.01 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 2.17 2.30 0.00 30 K 7.62 3.85 0.00 1.84 1.76 0.00 2.25 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.43 7.81 31 A 8.10 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.52 5.01 0.00 3.00 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 33 S 8.17 4.63 0.00 4.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.40 0.00 2.22 2.21 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 35 E 8.00 4.11 0.00 2.07 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 2.36 2.34 0.00 36 V 7.79 3.82 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.04 0.00 0.00 37 I 7.86 3.87 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.89 0.99 0.00 0.00 38 P 0.00 4.34 0.00 2.21 2.15 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 39 M 8.08 4.18 0.00 2.22 2.54 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.91 0.00 40 F 8.69 3.92 0.00 3.06 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.07 3.95 0.00 4.07 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 42 A 7.98 4.06 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 43 L 7.64 4.02 0.00 1.42 1.66 1.13 0.93 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 44 S 6.97 4.41 0.00 3.33 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 45 E 7.68 4.02 0.00 1.92 1.88 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 2.26 2.48 0.00 46 G 8.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.56 4.13 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 48 T 8.14 4.42 4.40 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 1.22 0.00 0.00 49 P 0.00 4.45 0.00 2.30 2.23 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 50 Q 8.53 4.02 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 51 D 8.02 4.40 0.00 2.85 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 52 L 8.02 3.93 0.00 1.92 1.61 0.90 0.43 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 53 N 8.76 4.48 0.00 2.93 2.96 0.00 0.00 6.85 6.68 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 54 T 7.97 4.05 4.28 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 1.35 0.00 0.00 55 M 8.02 4.25 0.00 1.67 2.21 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 56 L 8.31 4.44 0.00 1.78 1.84 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.31 4.61 0.00 2.82 2.94 0.00 0.00 6.99 7.15 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 58 T 7.59 4.36 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 59 V 7.56 3.72 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 0.72 0.00 0.00 1.01 0.00 0.00 60 G 8.52 3.94 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 0.00 0.00 0.00 61 G 8.48 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.80 4.00 0.00 3.32 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.45 3.98 0.00 2.18 2.15 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 2.46 2.55 0.00 64 A 8.05 4.06 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 65 A 7.96 3.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.13 3.98 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 67 Q 8.00 3.98 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 68 M 8.11 4.18 0.00 2.09 2.26 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 2.84 2.55 0.00 69 L 8.14 3.88 0.00 1.68 1.88 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.19 3.95 0.00 2.00 1.88 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.67 7.81 71 E 8.52 3.98 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 2.33 2.52 0.00 72 T 7.93 3.82 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 1.27 0.00 0.00 73 I 8.26 3.84 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.84 1.23 0.00 0.00 74 N 8.60 4.30 0.00 2.70 2.84 0.00 0.00 7.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.07 3.87 0.00 2.08 1.90 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 2.28 2.42 0.00 76 E 8.28 3.53 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 77 A 7.54 3.36 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 78 A 7.90 3.95 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 79 E 8.00 3.83 0.00 2.04 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 2.27 2.34 0.00 80 W 7.82 4.07 0.00 3.81 3.39 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 0.00 81 D 8.40 4.64 0.00 2.99 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 82 R 7.82 3.87 0.00 1.84 2.11 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 83 L 7.46 4.39 0.00 1.14 1.29 0.86 0.72 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 84 H 7.43 4.59 0.00 2.79 2.99 0.00 5.69 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 85 P 0.00 4.16 0.00 2.01 1.99 0.00 3.57 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 86 V 8.27 3.68 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 0.81 0.00 0.00 0.97 0.00 0.00 87 A 8.51 4.12 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 88 A 8.49 4.01 1.26 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 89 A 8.25 4.69 1.26 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 90 P 0.00 4.59 0.00 2.20 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 91 I 8.11 3.87 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.93 0.00 0.00 92 A 8.38 4.21 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 93 P 0.00 4.43 0.00 2.05 2.01 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 94 G 8.80 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 95 Q 7.79 4.72 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 96 M 8.32 4.51 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.17 0.00 97 R 8.45 4.24 0.00 2.08 2.02 0.00 3.19 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 98 E 8.54 4.32 0.00 2.05 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 2.38 2.28 0.00 99 P 0.00 4.16 0.00 1.37 0.49 0.00 3.59 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.98 0.00 100 R 9.23 4.61 0.00 1.88 2.10 0.00 3.39 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 101 G 9.08 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 0.00 102 S 8.10 4.14 0.00 3.89 3.94 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 0.00 103 D 7.82 4.37 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.36 3.36 1.59 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 0.66 -0.10 -0.15 0.00 0.00 105 A 7.70 2.58 1.13 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 0.00 0.00 106 G 7.35 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 0.00 107 T 7.75 4.37 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 1.21 0.00 0.00 108 T 7.73 4.75 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 1.23 0.00 0.00 109 S 8.01 4.91 0.00 4.16 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 0.00 110 T 8.47 4.70 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 1.23 0.00 0.00 111 L 8.10 3.88 0.00 1.74 1.65 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.88 3.80 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 113 E 8.17 3.55 0.00 1.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.06 0.00 114 Q 8.12 4.35 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 115 I 8.38 3.77 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.87 0.00 0.00 116 G 8.80 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 0.00 117 W 8.03 4.51 0.00 3.67 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 0.00 118 M 8.22 4.18 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 119 T 7.76 4.47 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 1.23 0.00 0.00 120 H 8.16 4.17 0.00 3.30 3.47 0.00 5.69 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 0.00 121 N 7.89 4.79 0.00 2.62 2.63 0.00 0.00 7.03 7.69 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 0.00 122 P 0.00 4.63 0.00 2.13 2.02 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 123 P 0.00 4.91 0.00 2.23 2.26 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 124 I 8.34 4.33 1.82 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 1.39 0.89 0.74 0.00 0.00 125 P 0.00 4.59 0.00 2.21 2.19 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 126 V 7.74 3.32 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 1.03 0.00 0.00 127 G 7.93 3.82 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 0.00 0.00 0.00 128 E 7.94 3.93 0.00 2.00 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 2.27 2.31 0.00 129 I 7.70 3.58 1.42 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.14 0.00 0.00 130 Y 7.44 3.34 0.00 2.63 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 0.00 131 K 8.04 3.81 0.00 1.84 1.94 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.62 7.81 132 R 7.72 3.97 0.00 2.15 2.10 0.00 3.22 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 1.73 1.71 0.00 133 W 7.86 4.47 0.00 3.60 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.03 3.60 1.78 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.31 0.27 0.00 0.00 135 I 7.94 3.76 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.66 0.96 0.00 0.00 136 L 8.11 4.11 0.00 1.92 1.75 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.26 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 0.00 138 L 8.46 3.95 0.00 1.73 1.77 0.46 0.72 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 0.00 139 N 8.41 4.36 0.00 3.00 2.88 0.00 0.00 6.65 7.16 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 0.00 140 K 8.13 3.90 0.00 1.82 1.96 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 141 I 7.66 3.71 1.75 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 1.21 0.39 0.04 0.00 0.00 142 V 8.20 4.03 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 1.17 0.00 0.00 1.15 0.00 0.00 143 R 7.97 4.03 0.00 2.02 2.18 0.00 3.10 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 144 M 7.51 4.00 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 145 Y 8.24 4.27 0.00 3.11 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 0.00 146 S 8.20 4.24 0.00 4.00 4.02 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