NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4033 8.4293 120.2315 56.5705 30.7810 174.9679 4 E 4.4163 8.5859 115.0121 54.1431 30.9512 174.0714 5 T 4.4694 7.4188 111.0738 59.8243 72.1179 176.4259 6 I 3.7876 8.1418 114.6314 64.1757 37.0361 177.9847 7 F 4.4846 8.3182 119.7756 60.6417 38.6084 177.6314 8 S 4.2460 8.3089 115.1016 61.4642 62.5996 176.8263 9 K 4.0319 7.9086 120.8705 59.2793 31.9970 179.3414 10 I 3.5189 7.7108 120.2200 64.2938 36.7145 178.4345 11 I 3.6794 7.4377 119.3736 64.3063 37.0522 177.8699 12 R 4.2386 7.6932 115.3302 55.1221 30.5899 176.4789 13 R 3.7635 7.4998 116.4356 57.8055 27.9948 176.5075 14 E 4.5900 8.6913 115.3603 55.9983 31.2400 176.7823 15 I 4.6625 7.2333 111.2664 57.8304 40.6295 173.4491 16 P 4.3406 0.0000 0.0000 63.3907 31.7378 175.4252 17 S 4.4741 7.9924 114.0072 57.9292 65.9447 174.2148 18 D 4.7122 8.5424 120.7818 52.9072 41.3241 174.4841 19 I 4.5015 8.1748 126.2674 61.2325 37.3670 176.2321 20 V 4.3493 8.9259 119.8035 62.2164 33.7875 175.5211 21 Y 4.7259 7.7663 119.4939 56.6663 42.0855 173.0486 22 Q 5.1094 7.5416 125.6140 55.2526 32.2945 173.2788 23 D 4.6476 8.7878 124.0544 52.3424 42.1217 175.3264 24 D 4.4251 8.8686 117.2694 56.9997 41.1509 176.8687 25 L 4.7060 8.9385 118.9044 55.3883 44.5790 176.7777 26 V 4.9770 7.8903 117.2213 61.6536 35.5855 173.8619 27 T 5.3507 9.1557 122.5457 61.7249 72.0757 172.6973 28 A 5.3222 9.5228 127.6768 50.2024 22.0854 175.1785 29 F 5.3011 8.3384 115.6461 55.2175 41.8532 173.9965 30 R 4.4225 8.6956 120.1549 56.0102 30.4873 176.4849 31 D 4.4379 8.5455 123.7060 54.0630 41.7350 176.5469 32 I 4.0171 8.3447 118.3801 62.8368 38.5478 176.2602 33 S 4.7286 8.3635 117.1693 55.4843 62.7886 171.6740 34 P 4.3951 0.0000 0.0000 63.3813 31.7861 177.3026 35 Q 4.4689 8.9591 118.6094 55.8833 29.6562 174.9152 36 A 4.6688 7.4584 119.1146 50.0886 22.1595 174.3675 37 P 4.3462 0.0000 0.0000 65.4929 31.7680 177.2005 38 T 4.5193 8.2162 115.6196 62.1610 70.6428 174.0355 39 H 5.2631 8.6819 126.3831 55.1635 32.3190 171.3018 40 I 4.8427 8.8919 126.3233 59.1703 40.9390 174.4838 41 L 4.6983 8.4070 126.4031 53.0721 43.8972 175.4265 42 I 4.8043 8.5993 124.9621 59.4312 39.5944 174.7508 43 I 5.0501 8.7056 120.6972 58.1067 40.8673 173.2050 44 P 4.9184 0.0000 0.0000 62.9413 32.2070 176.8953 45 N 4.6119 9.0943 119.3202 55.6627 39.0358 175.7074 46 I 4.1800 7.0242 116.1666 59.5324 38.4286 175.3931 47 L 3.7424 8.4010 125.8377 55.0715 41.9026 176.5333 48 I 4.3652 7.7728 127.8911 58.7898 38.6334 174.7213 49 P 4.9157 0.0000 0.0000 64.8554 31.5375 176.6644 50 T 4.7121 8.0069 110.3101 60.2610 70.6653 174.6550 51 V 3.7709 8.2702 116.9692 63.5428 31.7518 178.3366 52 N 4.4136 8.2173 116.4768 55.5701 38.4329 175.1725 53 D 4.7826 7.9544 116.6335 53.8046 41.4717 177.1707 54 V 3.9605 7.2988 119.6987 61.5831 32.3015 175.1531 55 S 4.7078 8.4345 114.2803 55.4326 66.0109 174.5282 56 A 4.0569 8.5628 124.7455 55.1409 17.7468 179.6029 57 E 4.0376 8.0207 114.3707 59.1031 30.0287 177.9472 58 H 4.6707 7.9958 116.1944 56.4925 29.0093 176.7553 59 E 3.9953 8.1819 122.0658 59.3963 29.1906 178.8455 60 Q 3.9390 8.1127 118.8089 59.2388 29.1665 178.1502 61 A 4.0235 7.9762 121.2327 55.1262 18.1276 179.4578 62 L 4.0519 8.2239 117.7377 57.8643 41.6369 180.0205 63 G 3.6380 8.3224 105.8424 47.7297 0.0000 175.5844 64 R 3.9287 8.2433 122.8781 58.7464 29.9453 178.2449 65 M 3.9586 8.1052 118.4507 58.6427 31.9543 178.9255 66 I 3.7243 7.4098 118.5461 64.5936 36.8262 178.6726 67 T 3.8326 8.0709 110.8052 64.6843 68.4277 176.7838 68 V 3.2174 7.9303 121.1127 65.3211 31.3719 177.6150 69 A 3.8007 7.9796 120.4842 55.2145 18.1994 179.3343 70 A 3.8408 8.0059 119.0285 55.1943 18.4335 179.7419 71 K 3.8083 8.0084 118.2277 59.6985 32.3017 179.1260 72 I 3.6810 8.0403 113.4418 63.5110 37.5610 178.0152 73 A 3.6285 7.9092 123.0789 54.9462 18.0836 179.2085 74 E 3.8433 8.0199 117.7655 59.4455 29.4864 178.7654 75 Q 3.9994 7.8985 117.0937 59.2050 28.9603 178.5493 76 E 4.2100 8.3979 116.9928 56.6001 29.5142 177.6937 77 G 3.8547 7.7214 107.1025 46.2578 0.0000 174.0930 78 I 4.2806 7.4854 117.2049 60.2335 38.6166 177.3028 79 A 4.2586 7.9732 122.5475 56.0418 18.6324 178.8859 80 E 4.1162 8.2976 115.3262 59.5751 30.0385 177.6550 81 D 4.3444 8.1414 116.9841 57.7666 40.9989 175.0392 82 G 3.6552 7.6635 102.6425 44.4822 0.0000 171.3302 83 Y 4.7558 7.1008 115.8988 56.6850 40.2982 173.0753 84 R 4.6854 8.7842 119.2237 54.5050 33.7782 173.4954 85 L 5.4217 8.6254 124.8504 53.1452 44.1557 175.8874 86 I 4.7262 8.7507 123.6459 59.7686 41.5029 174.1289 87 M 5.1640 8.7080 125.1802 53.6736 34.7100 174.7204 88 N 4.8281 8.8630 121.1819 51.9487 40.5216 174.3801 89 T 4.7060 7.8353 115.9725 61.2325 70.7470 174.3662 90 N 4.7031 8.8664 125.5264 52.6359 38.5752 174.6890 91 R 4.0271 8.5588 115.5913 60.6678 30.3698 178.7138 92 H 4.3759 8.3169 113.3927 58.0066 28.8717 176.4057 93 G 3.7649 7.7461 105.7016 45.3970 0.0000 174.5339 94 G 3.8152 7.8716 107.3206 46.0434 0.0000 173.4044 95 Q 3.9746 7.9639 121.1402 55.9164 29.2447 175.6653 96 E 4.6019 8.7038 123.7091 56.0955 31.8970 176.1247 97 V 4.1841 7.3856 117.7831 61.1762 33.8944 175.8015 98 Y 4.0688 8.2538 128.2087 56.3492 36.7948 174.8094 99 H 4.9830 7.2800 118.2646 54.3008 33.5628 172.6638 100 I 4.0743 8.7153 121.3559 61.3937 38.1375 175.3834 101 A 4.8197 8.3945 124.9091 50.9023 22.4984 174.8420 102 M 4.5959 9.1252 122.6232 54.2119 34.5219 174.5055 103 H 4.9315 9.5255 124.6327 55.0929 30.3918 174.0294 104 L 4.9785 9.1154 127.0751 53.8179 43.5848 175.1608 105 L 5.1154 8.5858 126.0853 53.1694 45.4841 176.5363 106 G 4.2248 8.8664 108.0952 46.9575 0.0000 173.8643 107 G 4.1625 11.1605 109.3848 45.1479 0.0000 173.1070 108 R 4.5763 7.1680 113.4349 54.0190 31.9541 172.9123 109 P 4.2548 0.0000 0.0000 63.2981 31.4895 176.7686 110 L 4.1437 8.5755 122.2430 54.6827 42.3020 177.6741 111 G 3.8225 7.9276 107.0506 43.5764 0.0000 171.2505 112 P 4.4669 0.0000 0.0000 62.5031 32.0468 176.2174 113 M 4.1716 8.7626 119.5047 57.9511 32.0078 177.0757 114 L 4.7261 7.5841 115.3860 52.5199 45.0010 175.6815 115 A 4.3045 8.3963 125.1984 53.2127 19.5455 175.3631 116 H 4.6805 9.3240 125.9822 56.5692 26.2677 176.1091 117 K 4.1722 7.8620 122.4396 55.0241 31.4345 176.1349 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 3 E 8.43 4.40 0.00 2.05 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 2.25 2.34 0.00 4 E 8.59 4.42 0.00 2.11 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 2.18 2.38 0.00 5 T 7.42 4.47 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 1.24 0.00 0.00 6 I 8.14 3.79 1.98 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 1.65 0.46 0.94 0.00 0.00 7 F 8.32 4.48 0.00 2.96 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 8 S 8.31 4.25 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.91 4.03 0.00 1.97 1.83 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.59 7.81 10 I 7.71 3.52 1.54 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.10 -0.25 0.00 0.00 11 I 7.44 3.68 2.03 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 1.54 0.48 0.92 0.00 0.00 12 R 7.69 4.24 0.00 1.86 1.94 0.00 3.60 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 13 R 7.50 3.76 0.00 1.94 1.95 0.00 3.09 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 14 E 8.69 4.59 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 15 I 7.23 4.66 1.85 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 1.38 0.45 0.90 0.00 0.00 16 P 0.00 4.34 0.00 2.04 2.01 0.00 3.70 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 2.01 2.06 0.00 17 S 7.99 4.47 0.00 3.68 3.58 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 18 D 8.54 4.71 0.00 2.80 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 19 I 8.17 4.50 1.87 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 1.31 0.88 1.03 0.00 0.00 20 V 8.93 4.35 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 0.71 0.00 0.00 0.97 0.00 0.00 21 Y 7.77 4.73 0.00 3.00 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 22 Q 7.54 5.11 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.49 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 23 D 8.79 4.65 0.00 2.90 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.87 4.43 0.00 2.71 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 25 L 8.94 4.71 0.00 1.80 1.72 0.95 0.71 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 26 V 7.89 4.98 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 0.98 0.00 0.00 0.96 0.00 0.00 27 T 9.16 5.35 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 1.32 0.00 0.00 28 A 9.52 5.32 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.34 5.30 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.70 4.42 0.00 1.76 1.91 0.00 3.40 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 31 D 8.55 4.44 0.00 2.28 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 0.00 0.00 0.00 32 I 8.34 4.02 1.91 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 1.48 0.68 0.95 0.00 0.00 33 S 8.36 4.73 0.00 3.83 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 34 P 0.00 4.40 0.00 2.32 2.10 0.00 3.80 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 2.01 2.01 0.00 35 Q 8.96 4.47 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 36 A 7.46 4.67 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 37 P 0.00 4.35 0.00 2.05 2.15 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 38 T 8.22 4.52 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 1.16 0.00 0.00 39 H 8.68 5.26 0.00 3.27 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.89 4.84 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.79 0.00 0.00 41 L 8.41 4.70 0.00 0.27 0.87 0.68 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.60 4.80 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.87 0.00 0.00 43 I 8.71 5.05 2.07 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 1.53 0.89 0.77 0.00 0.00 44 P 0.00 4.92 0.00 2.17 2.24 0.00 3.99 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 2.29 2.02 0.00 45 N 9.09 4.61 0.00 2.67 2.96 0.00 0.00 6.94 8.10 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 46 I 7.02 4.18 1.90 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 1.21 0.41 0.91 0.00 0.00 47 L 8.40 3.74 0.00 1.59 1.60 0.94 1.01 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 48 I 7.77 4.37 1.81 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.39 0.89 0.00 0.00 49 P 0.00 4.92 0.00 2.30 2.23 0.00 3.84 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 50 T 8.01 4.71 4.38 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 1.34 0.00 0.00 51 V 8.27 3.77 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 0.82 0.00 0.00 0.94 0.00 0.00 52 N 8.22 4.41 0.00 2.74 2.91 0.00 0.00 6.89 8.06 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 53 D 7.95 4.78 0.00 2.79 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 54 V 7.30 3.96 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 0.70 0.00 0.00 1.01 0.00 0.00 55 S 8.43 4.71 0.00 3.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.56 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.02 4.04 0.00 2.08 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 2.18 2.15 0.00 58 H 8.00 4.67 0.00 3.38 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.18 4.00 0.00 2.13 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 2.42 0.00 60 Q 8.11 3.94 0.00 2.13 2.12 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 2.45 2.45 0.00 61 A 7.98 4.02 1.39 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 0.00 0.00 62 L 8.22 4.05 0.00 1.87 1.74 0.96 0.87 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 63 G 8.32 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.24 3.93 0.00 2.03 2.17 0.00 3.44 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 65 M 8.11 3.96 0.00 2.07 2.34 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 2.79 2.59 0.00 66 I 7.41 3.72 1.98 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 1.58 0.57 0.92 0.00 0.00 67 T 8.07 3.83 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 68 V 7.93 3.22 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 0.41 0.00 0.00 0.15 0.00 0.00 69 A 7.98 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.01 3.84 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 71 K 8.01 3.81 0.00 1.85 1.84 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.43 7.81 72 I 8.04 3.68 1.81 0.00 0.00 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 1.34 0.68 0.84 0.00 0.00 73 A 7.91 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.02 3.84 0.00 2.04 2.03 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 2.29 2.34 0.00 75 Q 7.90 4.00 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 76 E 8.40 4.21 0.00 1.95 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 2.36 2.39 0.00 77 G 7.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.49 4.28 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.84 0.00 0.00 79 A 7.97 4.26 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.30 4.12 0.00 1.96 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 2.31 2.35 0.00 81 D 8.14 4.34 0.00 2.74 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 82 G 7.66 3.66 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 0.00 0.00 0.00 83 Y 7.10 4.76 0.00 3.05 2.87 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 84 R 8.78 4.69 0.00 1.86 1.76 0.00 3.03 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 85 L 8.63 5.42 0.00 1.57 1.59 1.00 0.88 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 86 I 8.75 4.73 1.85 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 1.22 0.79 0.92 0.00 0.00 87 M 8.71 5.16 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 88 N 8.86 4.83 0.00 2.69 2.84 0.00 0.00 6.82 7.54 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 89 T 7.84 4.71 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 1.22 0.00 0.00 90 N 8.87 4.70 0.00 3.06 2.90 0.00 0.00 6.89 7.82 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 91 R 8.56 4.03 0.00 1.93 2.04 0.00 3.15 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 92 H 8.32 4.38 0.00 3.10 3.38 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.75 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 0.00 0.00 0.00 94 G 7.87 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 95 Q 7.96 3.97 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.72 0.00 0.00 0.00 0.00 0.00 1.54 2.02 0.00 96 E 8.70 4.60 0.00 1.96 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 2.42 2.22 0.00 97 V 7.39 4.18 1.59 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 -0.13 0.00 0.00 0.71 0.00 0.00 98 Y 8.25 4.07 0.00 3.09 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 99 H 7.28 4.98 0.00 3.08 3.13 0.00 5.75 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 0.00 100 I 8.72 4.07 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 1.32 0.77 0.97 0.00 0.00 101 A 8.39 4.82 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 0.00 102 M 9.13 4.60 0.00 2.01 1.92 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 2.52 2.48 0.00 103 H 9.53 4.93 0.00 3.13 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.12 4.98 0.00 1.64 1.60 0.67 0.24 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 0.00 105 L 8.59 5.12 0.00 1.60 1.46 0.85 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.87 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 11.16 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.17 4.58 0.00 1.89 1.87 0.00 3.06 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 109 P 0.00 4.25 0.00 2.06 2.05 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 110 L 8.58 4.14 0.00 1.62 1.70 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 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 0.00 112 P 0.00 4.47 0.00 2.35 2.06 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 113 M 8.76 4.17 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 114 L 7.58 4.73 0.00 1.58 1.52 0.92 0.76 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 0.00 115 A 8.40 4.30 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 0.00 116 H 9.32 4.68 0.00 3.14 3.84 0.00 6.05 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 0.00 117 K 7.86 4.17 0.00 1.87 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 0.98 7.81